************************************************************************
* This file is part of OpenMolcas.                                     *
*                                                                      *
* OpenMolcas is free software; you can redistribute it and/or modify   *
* it under the terms of the GNU Lesser General Public License, v. 2.1. *
* OpenMolcas is distributed in the hope that it will be useful, but it *
* is provided "as is" and without any express or implied warranties.   *
* For more details see the full text of the license in the file        *
* LICENSE or in <http://www.gnu.org/licenses/>.                        *
************************************************************************

#Hamiltonian RCP
#Nucleus UNK
#Contraction RAF
#AllElectron NAE

********************************************************************************
* See the file AIMP.README                                                     *
********************************************************************************

********************************************************************************
*    E.1. Elpasolites
********************************************************************************
*         E.1.1. K2NaGaF6
********************************************************************************
*           E.1.1.a. K2NaGaF6 (a=8.246 A)
*             /K.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6.
*             /Na.EMB-AIMP.Barandiaran.6s3p.1s1p.ECP.K2NaGaF6.
*             /Na.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6.
*             /Ga.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6.
*             /F.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6.
*           E.1.1.b. K2NaGaF6 (a=8.000 A; 60 Kbar)
*             /K.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6-60kbar.
*             /Na.EMB-AIMP.Barandiaran.6s3p.1s1p.ECP.K2NaGaF6-60kbar.
*             /Na.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6-60kbar.
*             /Ga.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6-60kbar.
*             /F.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6-60kbar.
********************************************************************************
*         E.1.2. Cs2NaYCl6
********************************************************************************
*           E.1.2.a. Cs2NaYCl6 (a=10.7396 A, x=0.2439)
*             /Cs.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYCl6.
*             /Na.EMB-AIMP.Al-Abdalla.7s4p.1s1p.ECP.Cs2NaYCl6.
*             /Na.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYCl6.
*             /Y.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYCl6.
*             /Cl.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYCl6.
*           E.1.2.b Cs2NaYCl6 Delta-a/a=-0.6% (a=10.6752 A, x=0.2439)
*             /Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0006a.
*             /Na.EMB-AIMP.Seijo.7s4p.1s1p.ECP.Cs2NaYCl6-0006a.
*             /Na.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0006a.
*             /Y.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0006a.
*             /Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0006a.
*           E.1.2.c Cs2NaYCl6 Delta-a/a=-1.8% (a=10.5463 A, x=0.2439)
*             /Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0018a.
*             /Na.EMB-AIMP.Seijo.7s4p.1s1p.ECP.Cs2NaYCl6-0018a.
*             /Na.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0018a.
*             /Y.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0018a.
*             /Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0018a.
*           E.1.2.d Cs2NaYCl6 Delta-a/a=-3.1% (a=10.4067 A, x=0.2439)
*             /Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0031a.
*             /Na.EMB-AIMP.Seijo.7s4p.1s1p.ECP.Cs2NaYCl6-0031a.
*             /Na.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0031a.
*             /Y.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0031a.
*             /Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0031a.
*           E.1.2.e Cs2NaYCl6 Delta-a/a=-3.6% (a=10.3530 A, x=0.2439)
*             /Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0036a.
*             /Na.EMB-AIMP.Seijo.7s4p.1s1p.ECP.Cs2NaYCl6-0036a.
*             /Na.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0036a.
*             /Y.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0036a.
*             /Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0036a.
********************************************************************************
*         E.1.3. Cs2NaYBr6
********************************************************************************
*           E.1.3.a. Cs2NaYBr6 (a=11.3047 A, x=0.2446)
*             /Cs.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYBr6.
*             /Na.EMB-AIMP.Al-Abdalla.7s4p.1s1p.ECP.Cs2NaYBr6.
*             /Na.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYBr6.
*             /Y.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYBr6.
*             /Br.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYBr6.
********************************************************************************
*         E.1.4. Cs2NaYF6
********************************************************************************
*           E.1.4.a. Cs2NaYF6 (a=9.075 A, x=0.24)
*             /Cs.EMB-AIMP.Ruiperez.0s.0s.ECP.Cs2NaYF6.
*             /Na.EMB-AIMP.Ruiperez.7s4p.1s1p.ECP.Cs2NaYF6.
*             /Na.EMB-AIMP.Ruiperez.0s.0s.ECP.Cs2NaYF6.
*             /Y.EMB-AIMP.Ruiperez.0s.0s.ECP.Cs2NaYF6.
*             /F.EMB-AIMP.Ruiperez.0s.0s.ECP.Cs2NaYF6.
********************************************************************************

********************************************************************************
*         E.1.1. K2NaGaF6
********************************************************************************
*           E.1.1.a. K2NaGaF6 (a=8.246 A)
*             /K.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6.
*             /Na.EMB-AIMP.Barandiaran.6s3p.1s1p.ECP.K2NaGaF6.
*             /Na.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6.
*             /Ga.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6.
*             /F.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6.
********************************************************************************

/K.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6.
Z. Barandiaran, L. Seijo, L.G.M. Pettersson. J. Chem. Phys 98 (1993) 4041-4046. doi:10.1063/1.464034
From a SCEI calculation in K2NaGaF6 with a=8.246 A x=0.235
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: K(K2NAGAF6)/P=0
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.3150000000e5  4.6370000000e4  1.0076000000e4  2.6820000000e3  8.1800000000e2  2.9060000000e2  1.0557000000e2 34.010000000000 15.770000000000  7.500000000000  2.084000000000
  0.996000000000  0.456400000000
  0.123248472000  0.160753821000  0.301234515000  0.535508774000  0.909246968000  1.193717890000  1.414507950000  2.343089070000  3.182524670000  1.415672900000  2.414318060000
  3.306587520000  0.699589385000
M2
  0
COREREP
 1.0
PROJOP
    1
    9    3
  2.6627978700e2 28.687167100000  3.197836570000
       2282.00000000
        418.50000000
        116.70000000
         39.06000000
          8.89700000
          3.71800000
          1.22800000
          0.57600000
          0.23810000
  0.042847211200 -0.012596122100  0.004157363880
  0.205335128000 -0.063702437700  0.021176716300
  0.469337959000 -0.188434340000  0.064114230500
  0.396700334000 -0.225589110000  0.081367039400
  0.048530402300  0.457407417000 -0.209339987000
 -0.019933730200  0.617704031000 -0.465888816000
  0.011177033400  0.087544175300  0.139241731000
 -0.006928562950 -0.015820964600  0.761508177000
  0.001855146290  0.004010124310  0.311333976000
    6    2
 22.653664400000  1.594850860000
         73.90000000
         18.09000000
          5.70000000
          1.75500000
          0.64030000
          0.22500000
  0.114191658000 -0.035924016500
  0.428521337000 -0.143195186000
  0.536863849000 -0.188721170000
  0.126808682000  0.204477423000
 -0.015376871100  0.630827579000
  0.004986974090  0.316254214000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Barandiaran.6s3p.1s1p.ECP.K2NaGaF6.
Z. Barandiaran, L. Seijo, L.G.M. Pettersson. J. Chem. Phys 98 (1993) 4041-4046. doi:10.1063/1.464034
From a SCEI calculation in K2NaGaF6 with a=8.246 A x=0.235
********************************************************************************
* with orthogonalitys-functions
* NA-K2NAGAF6-(6/3)             (6/3)
********************************************************************************
     1.0   1
* s-type functions
    6    1
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
 -0.015687720500
 -0.072243852200
 -0.192057064000
 -0.123238166000
  0.655405095000
  0.469656787000
* p-type functions
    3    1
         10.47200000
          2.28460000
          0.58140000
  0.229816371000
  0.580075737000
  0.412742096000
********************************************************************************
* External AIMP: NA(K2NAGAF6)/P=0
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068557528400  0.104812569000  0.204620328000  0.368077851000  0.599380140000  0.936378626000  1.003687360000  1.531736360000  2.469430110000  1.936444660000  0.776874472000
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 80.594061600000  5.233774490000
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
  0.061862461500 -0.015687720500
  0.272920485000 -0.072243852200
  0.500959794000 -0.192057064000
  0.299290292000 -0.123238166000
  0.018435485500  0.655405095000
 -0.003866685150  0.469656787000
    3    1
  2.539740450000
         10.47200000
          2.28460000
          0.58140000
  0.229816371000
  0.580075737000
  0.412742096000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6.
Z. Barandiaran, L. Seijo, L.G.M. Pettersson. J. Chem. Phys 98 (1993) 4041-4046. doi:10.1063/1.464034
From a SCEI calculation in K2NaGaF6 with a=8.246 A x=0.235
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: NA(K2NAGAF6)/P=0
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068557528400  0.104812569000  0.204620328000  0.368077851000  0.599380140000  0.936378626000  1.003687360000  1.531736360000  2.469430110000  1.936444660000  0.776874472000
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 80.594061600000  5.233774490000
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
  0.061862461500 -0.015687720500
  0.272920485000 -0.072243852200
  0.500959794000 -0.192057064000
  0.299290292000 -0.123238166000
  0.018435485500  0.655405095000
 -0.003866685150  0.469656787000
    3    1
  2.539740450000
         10.47200000
          2.28460000
          0.58140000
  0.229816371000
  0.580075737000
  0.412742096000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6.
Z. Barandiaran, L. Seijo, L.G.M. Pettersson. J. Chem. Phys 98 (1993) 4041-4046. doi:10.1063/1.464034
From a SCEI calculation in K2NaGaF6 with a=8.246 A x=0.235
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: GA(K2NAGAF6)/P=0
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.6800000000e5  5.6990000000e4  1.3710000000e4  3.9630000000e3  1.2912000000e3  4.3180000000e2  1.4460000000e2 66.520000000000 30.830000000000  8.309000000000  4.309000000000
  2.226000000000  0.936000000000
  0.075422116667  0.089829582000  0.160948612000  0.274762721000  0.453132706667  0.602045353333  0.697676170000  1.192888026667  1.095761383333  1.687802710000  1.696053516667
  1.111926123333  0.195084313000
M2
  0
COREREP
 1.0
PROJOP
    2
    9    3
  7.5667854100e2 96.717734200000 13.098044800000
       6490.00000000
       1203.00000000
        340.90000000
        116.10000000
         31.44000000
         14.86000000
          6.63500000
          2.54800000
          1.01700000
  0.039806164300 -0.012770223400  0.004577592400
  0.190044447000 -0.064862999500  0.023277838900
  0.447437975000 -0.191649505000  0.072506314800
  0.418546050000 -0.264682201000  0.107788732000
  0.068437097100  0.290219405000 -0.147243842000
 -0.030032582900  0.655165486000 -0.556108201000
  0.016929196500  0.205116464000 -0.065315627300
  0.000847685845  0.011129728400  0.824513903000
  0.002428430240  0.000964687108  0.405995327000
    6    2
 85.242573800000  9.266881210000
        253.70000000
         63.84000000
         21.18000000
          7.29200000
          2.76700000
          1.00500000
  0.095108130000 -0.037237915200
  0.392800011000 -0.165723723000
  0.543920273000 -0.240466940000
  0.157092546000  0.206538641000
 -0.008467966660  0.646709410000
  0.004183926450  0.300987440000
    4    1
  2.617650160000
         23.34600000
          6.36920000
          1.98100000
          0.61612000
  0.146087757000
  0.418562478000
  0.505026089000
  0.245196164000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6.
Z. Barandiaran, L. Seijo, L.G.M. Pettersson. J. Chem. Phys 98 (1993) 4041-4046. doi:10.1063/1.464034
From a SCEI calculation in K2NaGaF6 with a=8.246 A x=0.235
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(K2NAGAF6)/P=0
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1900000000e5  2.1540000000e4  3.6390000000e3  8.1960000000e2  2.3160000000e2 71.200000000000 23.030000000000  7.364000000000  2.422000000000  0.858300000000  0.336600000000
 -0.059446009500 -0.100637111000 -0.205253008000 -0.385563062000 -0.676624081000 -1.081606650000 -0.955728941000 -1.378056020000 -2.981004360000 -2.113546800000 -0.062533967100
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 51.754878100000  2.786459750000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120783236000 -0.027905353200
  0.458957133000 -0.125758276000
  0.521968977000 -0.216316482000
  0.063870348300  0.263821266000
 -0.024869943700  0.629237194000
  0.007076317410  0.241035022000
    4    1
  1.001733510000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
  0.160537634000
  0.432081436000
  0.593992535000
  0.041452338800
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*           E.1.1.b. K2NaGaF6 (a=8.000 A; 60 Kbar)
*             /K.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6-60kbar.
*             /Na.EMB-AIMP.Barandiaran.6s3p.1s1p.ECP.K2NaGaF6-60kbar.
*             /Na.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6-60kbar.
*             /Ga.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6-60kbar.
*             /F.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6-60kbar.
********************************************************************************

/K.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6-60kbar.
Z. Barandiaran, L. Seijo, L.G.M. Pettersson. J. Chem. Phys 98 (1993) 4041-4046. doi:10.1063/1.464034
From a SCEI calculation in K2NaGaF6 with a=8.000 A x=0.235
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: K(K2NAGAF6)/P=60
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.3150000000e5  4.6370000000e4  1.0076000000e4  2.6820000000e3  8.1800000000e2  2.9060000000e2  1.0557000000e2 34.010000000000 15.770000000000  7.510000000000  2.084000000000
  0.996000000000  0.456400000000
  0.123253746000  0.160767159000  0.301238304000  0.535561606000  0.909235855000  1.193883620000  1.414449800000  2.344020220000  3.180289200000  1.416733210000  2.415046440000
  3.316548270000  0.688972578000
M2
  0
COREREP
 1.0
PROJOP
    1
    9    3
  2.6624951700e2 28.657839600000  3.172480520000
       2282.00000000
        418.50000000
        116.70000000
         39.06000000
          8.89700000
          3.71800000
          1.22800000
          0.57600000
          0.23810000
  0.042847191100 -0.012595963200  0.004157056810
  0.205335060000 -0.063701601600  0.021177023900
  0.469337476000 -0.188431674000  0.064103405700
  0.396700557000 -0.225585553000  0.081388362800
  0.048531151900  0.457385982000 -0.209501297000
 -0.019933799700  0.617716576000 -0.465196587000
  0.011176505300  0.087514008000  0.136899233000
 -0.006928017900 -0.015759588900  0.764787338000
  0.001855055120  0.003995475610  0.309633206000
    6    2
 22.624219900000  1.567859570000
         73.90000000
         18.09000000
          5.70000000
          1.75500000
          0.64030000
          0.22500000
  0.114190190000 -0.035940963500
  0.428514946000 -0.143314365000
  0.536864411000 -0.188663825000
  0.126813593000  0.203773351000
 -0.015362384500  0.633407013000
  0.004976830310  0.313760520000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Barandiaran.6s3p.1s1p.ECP.K2NaGaF6-60kbar.
Z. Barandiaran, L. Seijo, L.G.M. Pettersson. J. Chem. Phys 98 (1993) 4041-4046. doi:10.1063/1.464034
From a SCEI calculation in K2NaGaF6 with a=8.000 A x=0.235
********************************************************************************
* with orthogonality functions
* NA-K2NAGAF6-(6/3)             (6/3)
********************************************************************************
     1.0   1
* s-type functions
    6    1
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
 -0.015687720500
 -0.072243852200
 -0.192057064000
 -0.123238166000
  0.655405095000
  0.469656787000
* p-type functions
    3    1
         10.47200000
          2.28460000
          0.58140000
  0.229816371000
  0.580075737000
  0.412742096000
********************************************************************************
* External AIMP: NA(K2NAGAF6)/P=60
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068561504600  0.104817631000  0.204633662000  0.368092569000  0.599421576000  0.936407083000  1.003782420000  1.531819420000  2.470608170000  1.936010310000  0.775845654000
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 80.559853300000  5.200811330000
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
  0.061862361800 -0.015689692900
  0.272919975000 -0.072260032000
  0.500958556000 -0.192058096000
  0.299290177000 -0.123335909000
  0.018441425900  0.655818767000
 -0.003870023820  0.469283353000
    3    1
  2.506670920000
         10.47200000
          2.28460000
          0.58140000
  0.229820099000
  0.580271273000
  0.412504125000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6-60kbar.
Z. Barandiaran, L. Seijo, L.G.M. Pettersson. J. Chem. Phys 98 (1993) 4041-4046. doi:10.1063/1.464034
From a SCEI calculation in K2NaGaF6 with a=8.000 A x=0.235
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: NA(K2NAGAF6)/P=60
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068561504600  0.104817631000  0.204633662000  0.368092569000  0.599421576000  0.936407083000  1.003782420000  1.531819420000  2.470608170000  1.936010310000  0.775845654000
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 80.559853300000  5.200811330000
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
  0.061862361800 -0.015689692900
  0.272919975000 -0.072260032000
  0.500958556000 -0.192058096000
  0.299290177000 -0.123335909000
  0.018441425900  0.655818767000
 -0.003870023820  0.469283353000
    3    1
  2.506670920000
         10.47200000
          2.28460000
          0.58140000
  0.229820099000
  0.580271273000
  0.412504125000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6-60kbar.
Z. Barandiaran, L. Seijo, L.G.M. Pettersson. J. Chem. Phys 98 (1993) 4041-4046. doi:10.1063/1.464034
From a SCEI calculation in K2NaGaF6 with a=8.000 A x=0.235
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: GA(K2NAGAF6)/P=60
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.6800000000e5  5.6990000000e4  1.3710000000e4  3.9630000000e3  1.2912000000e3  4.3180000000e2  1.4460000000e2 66.520000000000 30.830000000000  8.309000000000  4.309000000000
  2.226000000000  0.936000000000
  0.075423084000  0.089826812333  0.160955428667  0.274749209000  0.453157420000  0.602008356667  0.697836836667  1.192490500000  1.096324806667  1.687026313333  1.696939583333
  1.112588936667  0.194006046000
M2
  0
COREREP
 1.0
PROJOP
    2
    9    3
  7.5661110100e2 96.650539500000 13.029804500000
       6490.00000000
       1203.00000000
        340.90000000
        116.10000000
         31.44000000
         14.86000000
          6.63500000
          2.54800000
          1.01700000
  0.039806118300 -0.012772748700  0.004563422960
  0.190044082000 -0.064874914000  0.023229883600
  0.447437156000 -0.191689315000  0.072294055200
  0.418544251000 -0.264738609000  0.107580991000
  0.068441847900  0.290278711000 -0.147362378000
 -0.030030419600  0.655537112000 -0.553650452000
  0.016936741900  0.205098643000 -0.066367077600
  0.000841563844  0.010577804200  0.821374531000
  0.002400154200  0.000910339361  0.409192540000
    6    2
 85.175341100000  9.199392120000
        253.70000000
         63.84000000
         21.18000000
          7.29200000
          2.76700000
          1.00500000
  0.095108072200 -0.037239033200
  0.392799760000 -0.165730998000
  0.543920921000 -0.240469363000
  0.157091667000  0.206523887000
 -0.008466813830  0.646805658000
  0.004182541620  0.300886267000
    4    1
  2.550805520000
         23.34600000
          6.36920000
          1.98100000
          0.61612000
  0.146126461000
  0.418673372000
  0.505299027000
  0.244602343000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Barandiaran.0s.0s.ECP.K2NaGaF6-60kbar.
Z. Barandiaran, L. Seijo, L.G.M. Pettersson. J. Chem. Phys 98 (1993) 4041-4046. doi:10.1063/1.464034
From a SCEI calculation in K2NaGaF6 with a=8.000 A x=0.235
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(K2NAGAF6)/P=60
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1900000000e5  2.1540000000e4  3.6390000000e3  8.2160000000e2  2.3260000000e2 71.500000000000 23.130000000000  7.374000000000  2.422000000000  0.864300000000  0.344600000000
 -0.059515662100 -0.100783473000 -0.205363157000 -0.384621022000 -0.675653018000 -1.081585570000 -0.960100171000 -1.384972470000 -2.990443690000 -2.117240620000 -0.039721138200
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 51.729138500000  2.782115640000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120781286000 -0.027892268200
  0.458940994000 -0.125819987000
  0.521963490000 -0.215788583000
  0.063905617900  0.258690239000
 -0.024846544700  0.640589126000
  0.007056709040  0.232565933000
    4    1
  0.994086176000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
  0.160996711000
  0.433224351000
  0.601221492000
  0.023901262700
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.1.2. Cs2NaYCl6
********************************************************************************
*           E.1.2.a. Cs2NaYCl6 (a=10.7396 A, x=0.2439)
*             /Cs.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYCl6.
*             /Na.EMB-AIMP.Al-Abdalla.7s4p.1s1p.ECP.Cs2NaYCl6.
*             /Na.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYCl6.
*             /Y.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYCl6.
*             /Cl.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYCl6.
********************************************************************************
*   Cs2NaYCl6
*   P=1 bar a0=10.7396 A, x=0.2439
*   C. Reber, H.U. Gudel, G. Meyer, T. Schleid, C.A. Daul. Inorg. Chem. 28 (1989) 3249-3258. doi:10.1021/ic00315a034
*   Oh5-Fm3m
********************************************************************************

/Cs.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYCl6.
A. Al-Abdalla, Z. Barandiaran, L. Seijo, R. Lindh. J. Chem. Phys. 108 (1998) 2005-2014. doi:10.1063/1.475610
From a SCEI calculation in Cs2NaYCl6 with a=10.7396 A, x=0.2439
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  4.1220000000e5  6.6070000000e4  1.6111000000e4  4.8290000000e3  1.5932000000e3  4.9900000000e2  2.0290000000e2 59.380000000000 27.750000000000  7.896000000000  4.315000000000
  1.866000000000  0.716600000000  0.390400000000  0.249900000000
  0.496324808700  0.591649215800  1.032472864000  1.673707221000  2.263118936000  3.270320536000  6.074078196000  4.558845556000 11.439438950000  1.735297540000 11.596384540000
  2.751587152000  4.300327557000  2.078817731000  0.137629199200
M2
  0
COREREP
 1.0
PROJOP
    2
   11    5
  2.6635715400e3  4.2580163100e2 92.049986000000 19.039925700000  2.389234228000
      33313.72970000
       3974.35337000
        773.54310200
         68.95959780
         23.82251990
         14.68367750
          7.10033807
          4.19897764
          1.83681080
       3628.48866e-4
       1568.36894e-4
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001223169883
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008555167448
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029184134332
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.144864003673
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104451062080
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.341950206814
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.374707141411
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.301130527181
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.840056480104
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.906222237003
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.378750467329
   10    4
  3.8190070700e2 77.532204200000 14.190449200000  1.157298465000
       1835.93935000
        412.74490500
        125.93392200
         18.54755560
          8.38114931
          4.59232246
          2.15034415
       4615.53695e-4
       2062.27972e-4
       9242.51022e-5
  0.056520125787  0.021686907394  0.009272738120  0.002895499452
  0.171899236514  0.111813193543  0.053187300783  0.018930354058
  0.737178558440  0.339659458519  0.151122413823  0.050175892731
  0.444446974330 -0.562858154294 -0.442982860886 -0.152517025449
 -0.460759081787 -0.485193638558 -0.216995649630 -0.108832042831
  0.324536875925 -0.003463784316  0.271144558213  0.197253425588
 -0.106213989013 -0.023768939091  0.842773248291  0.361981058338
  0.032403023471  0.005853287609  0.149950755473 -0.508199018888
 -0.024513628795 -0.004775439839 -0.078570531972 -0.573395258674
  0.008754292582  0.001732365898  0.025020547459 -0.044867697368
    7    2
 56.100838900000  6.874997900000
        214.30000000
         64.91000000
         24.62000000
         10.31500000
          4.14400000
          1.72500000
          0.66840000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Al-Abdalla.7s4p.1s1p.ECP.Cs2NaYCl6.
A. Al-Abdalla, Z. Barandiaran, L. Seijo, R. Lindh. J. Chem. Phys. 108 (1998) 2005-2014. doi:10.1063/1.475610
From a SCEI calculation in Cs2NaYCl6 with a=10.7396 A, x=0.2439
********************************************************************************
* with orthogonality functions
********************************************************************************
     1.0   1
* s-type functions
    7    1
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
 -0.004632838193
 -0.034648646009
 -0.126685829324
 -0.151515821411
 -0.073185517808
  0.597657653894
  0.514793252355
* p-type functions
    4    1
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042769892014
 -0.230470381043
 -0.510539265776
 -0.448800489924
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068862017480  0.108277757900  0.201912465400  0.380986090100  0.584201417200  0.977385493100  0.998529304600  1.551019850000  2.516003893000  1.869595026000  0.743226685100
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.553879880000  5.298400506000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019020758085 -0.004632838193
  0.133425663212 -0.034648646009
  0.445452854965 -0.126685829324
  0.470476037405 -0.151515821411
  0.051252902056 -0.073185517808
  0.045587956700  0.597657653894
 -0.013867882109  0.514793252355
    4    1
  2.739692677000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042769892014
 -0.230470381043
 -0.510539265776
 -0.448800489924
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYCl6.
A. Al-Abdalla, Z. Barandiaran, L. Seijo, R. Lindh. J. Chem. Phys. 108 (1998) 2005-2014. doi:10.1063/1.475610
From a SCEI calculation in Cs2NaYCl6 with a=10.7396 A, x=0.2439
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068862017480  0.108277757900  0.201912465400  0.380986090100  0.584201417200  0.977385493100  0.998529304600  1.551019850000  2.516003893000  1.869595026000  0.743226685100
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.553879880000  5.298400506000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019020758085 -0.004632838193
  0.133425663212 -0.034648646009
  0.445452854965 -0.126685829324
  0.470476037405 -0.151515821411
  0.051252902056 -0.073185517808
  0.045587956700  0.597657653894
 -0.013867882109  0.514793252355
    4    1
  2.739692677000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042769892014
 -0.230470381043
 -0.510539265776
 -0.448800489924
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYCl6.
A. Al-Abdalla, Z. Barandiaran, L. Seijo, R. Lindh. J. Chem. Phys. 108 (1998) 2005-2014. doi:10.1063/1.475610
From a SCEI calculation in Cs2NaYCl6 with a=10.7396 A, x=0.2439
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.9176000000e5  6.3830000000e4  1.5627000000e4  4.5518000000e3  1.4648000000e3  4.9768000000e2  1.8257000000e2 82.104000000000 29.159000000000 11.058200000000  4.877000000000
  1.386200000000  0.705250000000
  0.099447077510  0.115207714700  0.206027902200  0.358066184900  0.565413787500  0.649406022900  0.994650968200  1.544381488000  1.041110888000  3.277375682000  0.971856819600
  1.628818978000  0.548236485700
M2
  0
COREREP
 1.0
PROJOP
    2
   13    4
  1.2321875480e3  1.7182466500e2 29.797442350000  4.559917998000
      22517.10490000
       3391.91890000
        768.92999000
        207.12231700
        309.54630100
         35.21428790
         14.98494400
         27.52608110
          4.73467785
          2.10940082
          3.44043954
       6786.34226e-4
       2947.80988e-4
  0.016560923614  0.005796371285  0.002409900080 -0.000903892913
  0.116515443603  0.040780743112  0.016955007061 -0.006359396748
  0.428179542435  0.149864081414  0.062307509982 -0.023369980026
  0.553166816265  0.193609989671  0.080495314489 -0.030191768093
 -0.001339407369  0.116123585862  0.057624734578 -0.022413273509
  0.007737803133 -0.670850009575 -0.332900103425  0.129482263541
  0.005134622890 -0.445160177307 -0.220904623912  0.085921363306
  0.036252338895  0.003158834974 -0.276207545552  0.131635017666
 -0.113099592205 -0.009854893732  0.861708836391 -0.410673277136
 -0.052487589149 -0.004573487872  0.399904354108 -0.190586454156
  0.145272453096 -0.003975288273 -0.001197106851 -0.339108547488
  0.006901107749  0.004161303156  0.004452345485  0.936458187309
 -0.001818263141 -0.001717001541  0.001180814641  0.364977472886
   10    3
  1.5659543620e2 23.996874650000  2.816984434000
        981.42971200
        230.97508700
         72.08684850
         24.82378740
         11.44808270
          4.71644961
          2.02374663
          1.10079266
       4804.63613e-4
       1967.85767e-4
  0.026051339293  0.012283145974 -0.004362271404
  0.171614868229  0.080916011807 -0.028736742619
  0.491725916373  0.231847627573 -0.082339026005
  0.456213851129  0.215103771285 -0.076392565251
  0.014986686137 -0.362454259681  0.171208821206
  0.025261325503 -0.610947273477  0.288586931226
  0.009002364787 -0.217722946513  0.102843567226
 -0.019469564321  0.001898866181 -0.449607497262
  0.011852721050 -0.005587579480 -0.649805058463
 -0.003862166754  0.001399425574 -0.082668984172
    7    1
 13.473190010000
         94.59558890
         26.71735310
          8.93579600
          2.97297813
          1.47868989
       4818.25361e-4
       1425.75771e-4
 -0.047834675193
 -0.250215431475
 -0.528869592675
 -0.398526331470
 -0.020134893174
 -0.025891655357
  0.006587232231
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYCl6.
A. Al-Abdalla, Z. Barandiaran, L. Seijo, R. Lindh. J. Chem. Phys. 108 (1998) 2005-2014. doi:10.1063/1.475610
From a SCEI calculation in Cs2NaYCl6 with a=10.7396 A, x=0.2439
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.6510000000e5  5.3630000000e4  1.2063000000e4  3.2760000000e3  1.0364000000e3  3.5920000000e2  1.2440000000e2 46.910000000000 17.980000000000  6.987000000000  1.446000000000
  0.587200000000  0.212400000000
 -0.100310168400 -0.127345056100 -0.229722762500 -0.414812352800 -0.651983745600 -1.138914165000 -1.272932887000 -1.279445140000 -3.415419246000 -2.795224666000 -2.397730342000
 -3.621231258000 -0.554928211000
M2
  0
COREREP
 1.0
PROJOP
    1
    9    3
  2.0833815280e2 20.795218430000  1.922778020000
       1364.96150000
        206.03730000
         44.78080200
         59.37822900
          5.18049520
          2.02243360
          3.42519800
          0.45919951
          0.14963825
 -0.065292470237  0.018782009075 -0.005509623725
 -0.363440619600  0.116632636299 -0.034559516327
 -0.487682604365  0.205846115555 -0.063175802255
 -0.153081127672  0.092407167661 -0.028830737461
 -0.358732226176 -0.653486883692  0.259505909241
 -0.167377876791 -0.405900031149  0.220264381377
  0.432776111008 -0.031503798397  0.104492816016
  0.020921350150 -0.014136931312 -0.760444721254
 -0.006695300820  0.001532133095 -0.436320429291
    6    2
 15.685963340000  0.732628739100
         63.76258100
         14.19345700
          3.79556670
          1.04115910
          0.09954514
          0.35250026
  0.100441672053  0.025918688189
  0.457173582762  0.126063215201
  0.578083738553  0.158867930615
  0.067802353352 -0.221708443719
 -0.000351738547 -0.269379001290
 -0.000577935968 -0.676818149834
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*           E.1.2.b Cs2NaYCl6 Delta-a/a=-0.6% (a=10.6752 A, x=0.2439)
*             /Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0006a.
*             /Na.EMB-AIMP.Seijo.7s4p.1s1p.ECP.Cs2NaYCl6-0006a.
*             /Na.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0006a.
*             /Y.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0006a.
*             /Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0006a.
********************************************************************************
*   Cs2NaYCl6 with Delta.a/a0=-0.6% (a=10.6752 A, x=0.2439)
*   P=1 bar a0=10.7396 A, x=0.2439
*   C. Reber, H.U. Gudel, G. Meyer, T. Schleid, C.A. Daul. Inorg. Chem. 28 (1989) 3249-3258. doi:10.1021/ic00315a034
*   Oh5-Fm3m
********************************************************************************

/Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0006a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.6752 A, x=0.2439
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  4.1220000000e5  6.6070000000e4  1.6111000000e4  4.8290000000e3  1.5932000000e3  4.9900000000e2  2.0290000000e2 59.380000000000 27.750000000000  7.896000000000  4.315000000000
  1.866000000000  0.716600000000  0.390400000000  0.249900000000
  0.496326004600  0.591650520800  1.032475407000  1.673710621000  2.263125944000  3.270330444000  6.074095678000  4.558874251000 11.439484120000  1.735338218000 11.596566790000
  2.751726806000  4.297552709000  2.090416151000  0.128326335700
M2
  0
COREREP
 1.0
PROJOP
    2
   11    5
  2.6635715400e3  4.2580163100e2 92.049986000000 19.039925700000  2.384903837000
      33313.72970000
       3974.35337000
        773.54310200
         68.95959780
         23.82251990
         14.68367750
          7.10033807
          4.19897764
          1.83681080
       3628.48866e-4
       1568.36894e-4
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001223335690
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008556327145
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029188090389
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.144883799685
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104465335567
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.341998598884
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.374760169173
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.301178959517
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.840191590608
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.906640691475
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.378391597048
   10    4
  3.8190070700e2 77.532204200000 14.190449200000  1.152966648000
       1835.93935000
        412.74490500
        125.93392200
         18.54755560
          8.38114931
          4.59232246
          2.15034415
       4615.53695e-4
       2062.27972e-4
       9242.51022e-5
  0.056520125787  0.021686907394  0.009272738120  0.002895558318
  0.171899236514  0.111813193543  0.053187300783  0.018930738914
  0.737178558440  0.339659458519  0.151122413823  0.050176912813
  0.444446974330 -0.562858154294 -0.442982860886 -0.152517795047
 -0.460759081787 -0.485193638558 -0.216995649630 -0.108832591996
  0.324536875925 -0.003463784316  0.271144558213  0.197243547616
 -0.106213989013 -0.023768939091  0.842773248291  0.361962931206
  0.032403023471  0.005853287609  0.149950755473 -0.507346583195
 -0.024513628795 -0.004775439839 -0.078570531972 -0.576101811308
  0.008754292582  0.001732365898  0.025020547459 -0.042310402219
    7    2
 56.100838900000  6.874997900000
        214.30000000
         64.91000000
         24.62000000
         10.31500000
          4.14400000
          1.72500000
          0.66840000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Seijo.7s4p.1s1p.ECP.Cs2NaYCl6-0006a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.6752 A, x=0.2439
********************************************************************************
* with orthogonality functions
********************************************************************************
     1.0   1
* s-type functions
    7    1
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
 -0.004632914361
 -0.034648994695
 -0.126689242969
 -0.151529817247
 -0.073176859368
  0.597692012354
  0.514762230322
* p-type functions
    4    1
         38.80258600
          8.67551940
          2.41015550
          0.65992043
  0.042769735200
  0.230468558131
  0.510538695998
  0.448802676914
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068862072090  0.108277818100  0.201912667700  0.380986258700  0.584202163700  0.977385810700  0.998529754300  1.551012244000  2.516038938000  1.869572028000  0.743220244900
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.549071040000  5.293587088000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019020757290 -0.004632914361
  0.133425665079 -0.034648994695
  0.445452781333 -0.126689242969
  0.470475619931 -0.151529817247
  0.051253273584 -0.073176859368
  0.045588368934  0.597692012354
 -0.013868273640  0.514762230322
    4    1
  2.734937479000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
  0.042769735200
  0.230468558131
  0.510538695998
  0.448802676914
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0006a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.6752 A, x=0.2439
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068862072090  0.108277818100  0.201912667700  0.380986258700  0.584202163700  0.977385810700  0.998529754300  1.551012244000  2.516038938000  1.869572028000  0.743220244900
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.549071040000  5.293587088000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019020757290 -0.004632914361
  0.133425665079 -0.034648994695
  0.445452781333 -0.126689242969
  0.470475619931 -0.151529817247
  0.051253273584 -0.073176859368
  0.045588368934  0.597692012354
 -0.013868273640  0.514762230322
    4    1
  2.734937479000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
  0.042769735200
  0.230468558131
  0.510538695998
  0.448802676914
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0006a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.6752 A, x=0.2439
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.9176000000e5  6.3830000000e4  1.5627000000e4  4.5518000000e3  1.4648000000e3  4.9768000000e2  1.8257000000e2 82.104000000000 29.159000000000 11.058200000000  4.877000000000
  1.386200000000  0.705250000000
  0.099446697980  0.115211160700  0.206022232100  0.358081289600  0.565391013700  0.649458087700  0.994557938500  1.544538945000  1.040890377000  3.277869701000  0.971183366200
  1.630499384000  0.546849806600
M2
  0
COREREP
 1.0
PROJOP
    2
   13    4
  1.2321763540e3  1.7181356830e2 29.786461770000  4.548758806000
      22517.10490000
       3391.91890000
        768.92999000
        207.12231700
        309.54630100
         35.21428790
         14.98494400
         27.52608110
          4.73467785
          2.10940082
          3.44043954
       6786.34226e-4
       2947.80988e-4
  0.016560923553  0.005796371214  0.002409901557 -0.000904137415
  0.116515443173  0.040780742608  0.016955017458 -0.006361116955
  0.428179540855  0.149864079559  0.062307548189 -0.023376301570
  0.553166814223  0.193609987274  0.080495363849 -0.030199934920
 -0.001339408346  0.116123618447  0.057623980598 -0.022424865224
  0.007737808773 -0.670850197819 -0.332895747653  0.129549229287
  0.005134626632 -0.445160302222 -0.220901733524  0.085965800188
  0.036252343599  0.003159055542 -0.276211806774  0.131644911103
 -0.113099606879 -0.009855581859  0.861722130497 -0.410704142555
 -0.052487595959 -0.004573807220  0.399910523676 -0.190600778270
  0.145272458225 -0.003973802691 -0.001230226190 -0.339486594097
  0.006901150139  0.004159356520  0.004503629186  0.937683270500
 -0.001818303541 -0.001714988404  0.001129949832  0.363929221390
   10    3
  1.5658431290e2 23.985876540000  2.806544633000
        981.42971200
        230.97508700
         72.08684850
         24.82378740
         11.44808270
          4.71644961
          2.02374663
          1.10079266
       4804.63613e-4
       1967.85767e-4
 -0.026051337760 -0.012283123201 -0.004362350562
 -0.171614858129 -0.080915861788 -0.028737264076
 -0.491725887431 -0.231847197725 -0.082340520129
 -0.456213824277 -0.215103372480 -0.076393951470
 -0.014986739732  0.362453294051  0.171206330522
 -0.025261415843  0.610945645825  0.288582732967
 -0.009002396981  0.217722366468  0.102842071095
  0.019469779637 -0.001898442121 -0.449241351203
 -0.011852973796  0.005602333684 -0.650907437888
  0.003862326159 -0.001416295900 -0.081625115835
    7    1
 13.462177660000
         94.59558890
         26.71735310
          8.93579600
          2.97297813
          1.47868989
       4818.25361e-4
       1425.75771e-4
  0.047834345543
  0.250213707131
  0.528866548794
  0.398524804404
  0.020143303788
  0.025897100073
 -0.006590056794
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0006a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.6752 A, x=0.2439
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.6510000000e5  5.3630000000e4  1.2063000000e4  3.2760000000e3  1.0364000000e3  3.5920000000e2  1.2440000000e2 46.910000000000 17.980000000000  6.987000000000  1.446000000000
  0.587200000000  0.212400000000
 -0.100320230200 -0.127344944800 -0.229761690600 -0.414796250900 -0.652112313600 -1.138847403000 -1.273295150000 -1.279257695000 -3.416303393000 -2.795141943000 -2.398647622000
 -3.632325985000 -0.541845380100
M2
  0
COREREP
 1.0
PROJOP
    1
    9    3
  2.0833121390e2 20.789229480000  1.920447142000
       1364.96150000
        206.03730000
         44.78080200
         59.37822900
          5.18049520
          2.02243360
          3.42519800
          0.45919951
          0.14963825
 -0.065292435159  0.018781745321  0.005510977724
 -0.363440438305  0.116631060255  0.034573122882
 -0.487683518047  0.205845593447  0.063273940763
 -0.153079967500  0.092403477855  0.028775345933
 -0.358735313604 -0.653449563074 -0.260529240421
 -0.167379261510 -0.405888112577 -0.222573871432
  0.432779707755 -0.031534453087 -0.102039622200
  0.020921550165 -0.014173588463  0.762492059555
 -0.006695181364  0.001548332595  0.434827206018
    6    2
 15.679923240000  0.730024280300
         63.76258100
         14.19345700
          3.79556670
          1.04115910
          0.09954514
          0.35250026
  0.100439681354 -0.025932498954
  0.457163958155 -0.126163321279
  0.578083773698 -0.158835802312
  0.067818352848  0.220954470193
 -0.000358726011  0.265893033069
 -0.000570953943  0.679976238402
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*           E.1.2.c Cs2NaYCl6 Delta-a/a=-1.8% (a=10.5463 A, x=0.2439)
*             /Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0018a.
*             /Na.EMB-AIMP.Seijo.7s4p.1s1p.ECP.Cs2NaYCl6-0018a.
*             /Na.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0018a.
*             /Y.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0018a.
*             /Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0018a.
********************************************************************************
*   Cs2NaYCl6 with Delta.a/a0=-1.8% (a=10.5463 A, x=0.2439)
*   P=1 bar a0=10.7396 A, x=0.2439
*   C. Reber, H.U. Gudel, G. Meyer, T. Schleid, C.A. Daul. Inorg. Chem. 28 (1989) 3249-3258. doi:10.1021/ic00315a034
*   Oh5-Fm3m
********************************************************************************

/Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0018a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.5463 A, x=0.2439
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  4.1220000000e5  6.6070000000e4  1.6111000000e4  4.8290000000e3  1.5932000000e3  4.9900000000e2  2.0290000000e2 59.380000000000 27.750000000000  7.896000000000  4.315000000000
  1.866000000000  0.716600000000  0.390400000000  0.249900000000
  0.496328517000  0.591653242200  1.032480778000  1.673717680000  2.263140741000  3.270351042000  6.074132631000  4.558933241000 11.439581210000  1.735408589000 11.596990100000
  2.751911573000  4.292194995000  2.113780741000  0.109394912000
M2
  0
COREREP
 1.0
PROJOP
    2
   11    5
  2.6635715400e3  4.2580163100e2 92.049986000000 19.039925700000  2.376049806000
      33313.72970000
       3974.35337000
        773.54310200
         68.95959780
         23.82251990
         14.68367750
          7.10033807
          4.19897764
          1.83681080
       3628.48866e-4
       1568.36894e-4
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001223698587
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008558865343
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029196748912
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.144927128017
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104496576526
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.342104544499
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.374876263791
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.301285065024
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.840487590552
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.907558401619
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.377604472161
   10    4
  3.8190070700e2 77.532204200000 14.190449200000  1.144102869000
       1835.93935000
        412.74490500
        125.93392200
         18.54755560
          8.38114931
          4.59232246
          2.15034415
       4615.53695e-4
       2062.27972e-4
       9242.51022e-5
  0.056520125787  0.021686907394  0.009272738120 -0.002895695828
  0.171899236514  0.111813193543  0.053187300783 -0.018931637930
  0.737178558440  0.339659458519  0.151122413823 -0.050179295701
  0.444446974330 -0.562858154294 -0.442982860886  0.152520291581
 -0.460759081787 -0.485193638558 -0.216995649630  0.108834373455
  0.324536875925 -0.003463784316  0.271144558213 -0.197224592505
 -0.106213989013 -0.023768939091  0.842773248291 -0.361928146558
  0.032403023471  0.005853287609  0.149950755473  0.505600979462
 -0.024513628795 -0.004775439839 -0.078570531972  0.581677886287
  0.008754292582  0.001732365898  0.025020547459  0.037023149744
    7    2
 56.100838900000  6.874997900000
        214.30000000
         64.91000000
         24.62000000
         10.31500000
          4.14400000
          1.72500000
          0.66840000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Seijo.7s4p.1s1p.ECP.Cs2NaYCl6-0018a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.5463 A, x=0.2439
********************************************************************************
* with orthogonality functions
********************************************************************************
     1.0   1
* s-type functions
    7    1
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
 -0.004633078573
 -0.034649747004
 -0.126696594726
 -0.151559969324
 -0.073158204229
  0.597765866759
  0.514695552510
* p-type functions
    4    1
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042769457063
 -0.230464832006
 -0.510538670725
 -0.448805813276
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068862212210  0.108277975600  0.201913179700  0.380986699700  0.584204004600  0.977386628300  0.998531419700  1.550996907000  2.516119823000  1.869519388000  0.743201762400
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.539253680000  5.283769779000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019020755394 -0.004633078573
  0.133425666976 -0.034649747004
  0.445452621336 -0.126696594726
  0.470474757134 -0.151559969324
  0.051254035913 -0.073158204229
  0.045589255314  0.597765866759
 -0.013869084074  0.514695552510
    4    1
  2.725234955000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042769457063
 -0.230464832006
 -0.510538670725
 -0.448805813276
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0018a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.5463 A, x=0.2439
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068862212210  0.108277975600  0.201913179700  0.380986699700  0.584204004600  0.977386628300  0.998531419700  1.550996907000  2.516119823000  1.869519388000  0.743201762400
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.539253680000  5.283769779000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019020755394 -0.004633078573
  0.133425666976 -0.034649747004
  0.445452621336 -0.126696594726
  0.470474757134 -0.151559969324
  0.051254035913 -0.073158204229
  0.045589255314  0.597765866759
 -0.013869084074  0.514695552510
    4    1
  2.725234955000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042769457063
 -0.230464832006
 -0.510538670725
 -0.448805813276
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0018a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.5463 A, x=0.2439
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.9176000000e5  6.3830000000e4  1.5627000000e4  4.5518000000e3  1.4648000000e3  4.9768000000e2  1.8257000000e2 82.104000000000 29.159000000000 11.058200000000  4.877000000000
  1.386200000000  0.705250000000
  0.099445951370  0.115218037000  0.206010955300  0.358111416700  0.565345695200  0.649561831600  0.994372664200  1.544853093000  1.040450605000  3.278856447000  0.969837401900
  1.633869420000  0.544066480900
M2
  0
COREREP
 1.0
PROJOP
    2
   13    4
  1.2321535940e3  1.7179100120e2 29.764128570000  4.525982819000
      22517.10490000
       3391.91890000
        768.92999000
        207.12231700
        309.54630100
         35.21428790
         14.98494400
         27.52608110
          4.73467785
          2.10940082
          3.44043954
       6786.34226e-4
       2947.80988e-4
  0.016560923437  0.005796371095  0.002409904944 -0.000904642453
  0.116515442356  0.040780741774  0.016955041283 -0.006364670183
  0.428179537853  0.149864076495  0.062307635744 -0.023389359232
  0.553166810346  0.193609983316  0.080495476962 -0.030216804164
 -0.001339410411  0.116123685136  0.057622420701 -0.022448668896
  0.007737820705 -0.670850583082 -0.332886736076  0.129686743927
  0.005134634550 -0.445160557873 -0.220895753655  0.086057051646
  0.036252351081  0.003159495979 -0.276220718068  0.131666114192
 -0.113099630221 -0.009856955930  0.861749931839 -0.410770291687
 -0.052487606791 -0.004574444903  0.399923425803 -0.190631476952
  0.145272459689 -0.003970783140 -0.001298955672 -0.340262161141
  0.006901237993  0.004155296707  0.004609706350  0.940210253785
 -0.001818387624 -0.001710798506  0.001024334847  0.361766305074
   10    3
  1.5656169140e2 23.963504150000  2.785290812000
        981.42971200
        230.97508700
         72.08684850
         24.82378740
         11.44808270
          4.71644961
          2.02374663
          1.10079266
       4804.63613e-4
       1967.85767e-4
 -0.026051334705 -0.012283077140  0.004362480806
 -0.171614838008 -0.080915558354  0.028738122068
 -0.491725829779 -0.231846328297  0.082342978523
 -0.456213770789 -0.215102565841  0.076396232320
 -0.014986846373  0.362451339745 -0.171200115450
 -0.025261595594  0.610942351677 -0.288572256939
 -0.009002461039  0.217721192534 -0.102838337759
  0.019470202514 -0.001897424733  0.448498208082
 -0.011853464568  0.005631938700  0.653125444032
  0.003862637153 -0.001450571284  0.079530042567
    7    1
 13.439777440000
         94.59558890
         26.71735310
          8.93579600
          2.97297813
          1.47868989
       4818.25361e-4
       1425.75771e-4
  0.047833684335
  0.250210248456
  0.528860448217
  0.398521681261
  0.020160216072
  0.025908069593
 -0.006595376626
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0018a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.5463 A, x=0.2439
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.6510000000e5  5.3630000000e4  1.2063000000e4  3.2760000000e3  1.0364000000e3  3.5920000000e2  1.2440000000e2 46.910000000000 17.980000000000  6.987000000000  1.446000000000
  0.587200000000  0.212400000000
 -0.100341611600 -0.127343271100 -0.229846216400 -0.414755835600 -0.652393192500 -1.138686477000 -1.274086973000 -1.278803603000 -3.418246712000 -2.794845401000 -2.400884467000
 -3.654709722000 -0.515056518300
M2
  0
COREREP
 1.0
PROJOP
    1
    9    3
  2.0831670880e2 20.776715650000  1.915437517000
       1364.96150000
        206.03730000
         44.78080200
         59.37822900
          5.18049520
          2.02243360
          3.42519800
          0.45919951
          0.14963825
 -0.065292362317  0.018781198956 -0.005514158965
 -0.363440060865  0.116627792528 -0.034603893718
 -0.487685395423  0.205844468978 -0.063485100707
 -0.153077581693  0.092395874021 -0.028659954911
 -0.358741700544 -0.653372310858  0.262709684286
 -0.167382113017 -0.405862929170  0.227472520581
  0.432787141203 -0.031598067890  0.096860238316
  0.020921940907 -0.014250598406 -0.766949594543
 -0.006694913412  0.001582945816 -0.431551652103
    6    2
 15.667294190000  0.724496909000
         63.76258100
         14.19345700
          3.79556670
          1.04115910
          0.09954514
          0.35250026
 -0.100435495424  0.025961675347
 -0.457143764806  0.126371970262
 -0.578083730759  0.158777917628
 -0.067852214768 -0.219421503670
  0.000373596197 -0.258694003232
  0.000556446694 -0.686459614962
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*           E.1.2.d Cs2NaYCl6 Delta-a/a=-3.1% (a=10.4067 A, x=0.2439)
*             /Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0031a.
*             /Na.EMB-AIMP.Seijo.7s4p.1s1p.ECP.Cs2NaYCl6-0031a.
*             /Na.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0031a.
*             /Y.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0031a.
*             /Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0031a.
********************************************************************************
*   Cs2NaYCl6 with Delta.a/a0=-3.1% (a=10.4067 A, x=0.2439)
*   P=1 bar a0=10.7396 A, x=0.2439
*   C. Reber, H.U. Gudel, G. Meyer, T. Schleid, C.A. Daul. Inorg. Chem. 28 (1989) 3249-3258. doi:10.1021/ic00315a034
*   Oh5-Fm3m
********************************************************************************

/Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0031a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.4067 A, x=0.2439
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  4.1220000000e5  6.6070000000e4  1.6111000000e4  4.8290000000e3  1.5932000000e3  4.9900000000e2  2.0290000000e2 59.380000000000 27.750000000000  7.896000000000  4.315000000000
  1.866000000000  0.716600000000  0.390400000000  0.249900000000
  0.496331370000  0.591656562000  1.032486556000  1.673726669000  2.263156386000  3.270377351000  6.074172354000  4.558999495000 11.439713190000  1.735258953000 11.598082870000
  2.751157693000  4.287849843000  2.138116728000  0.088913988370
M2
  0
COREREP
 1.0
PROJOP
    2
   11    5
  2.6635715400e3  4.2580163100e2 92.049986000000 19.039925700000  2.366178955000
      33313.72970000
       3974.35337000
        773.54310200
         68.95959780
         23.82251990
         14.68367750
          7.10033807
          4.19897764
          1.83681080
       3628.48866e-4
       1568.36894e-4
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001224142438
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008561969750
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029207338938
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.144980124112
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104534788216
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.342234179319
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.375018316908
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.301415023992
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.840850133911
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.908684150860
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.376638744468
   10    4
  3.8190070700e2 77.532204200000 14.190449200000  1.134207309000
       1835.93935000
        412.74490500
        125.93392200
         18.54755560
          8.38114931
          4.59232246
          2.15034415
       4615.53695e-4
       2062.27972e-4
       9242.51022e-5
  0.056520125787  0.021686907394  0.009272738120  0.002895881082
  0.171899236514  0.111813193543  0.053187300783  0.018932849097
  0.737178558440  0.339659458519  0.151122413823  0.050182505964
  0.444446974330 -0.562858154294 -0.442982860886 -0.152524826361
 -0.460759081787 -0.485193638558 -0.216995649630 -0.108837609352
  0.324536875925 -0.003463784316  0.271144558213  0.197205967828
 -0.106213989013 -0.023768939091  0.842773248291  0.361893968289
  0.032403023471  0.005853287609  0.149950755473 -0.503662875509
 -0.024513628795 -0.004775439839 -0.078570531972 -0.587930647605
  0.008754292582  0.001732365898  0.025020547459 -0.031061445269
    7    2
 56.100838900000  6.874997900000
        214.30000000
         64.91000000
         24.62000000
         10.31500000
          4.14400000
          1.72500000
          0.66840000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Seijo.7s4p.1s1p.ECP.Cs2NaYCl6-0031a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.4067 A, x=0.2439
********************************************************************************
* with orthogonality functions
********************************************************************************
     1.0   1
* s-type functions
    7    1
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
 -0.004633276197
 -0.034650655842
 -0.126705416281
 -0.151596096952
 -0.073135885982
  0.597854365176
  0.514615648050
* p-type functions
    4    1
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042769211094
 -0.230460713796
 -0.510540342517
 -0.448807290269
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068862414490  0.108278208300  0.201913907800  0.380987353900  0.584206555900  0.977387840600  0.998534423900  1.550980241000  2.516224762000  1.869451403000  0.743172888500
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.528315080000  5.272843730000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019020752854 -0.004633276197
  0.133425666113 -0.034650655842
  0.445452427579 -0.126705416281
  0.470473776991 -0.151596096952
  0.051254893618 -0.073135885982
  0.045590315381  0.597854365176
 -0.013870008042  0.514615648050
    4    1
  2.714431676000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042769211094
 -0.230460713796
 -0.510540342517
 -0.448807290269
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0031a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.4067 A, x=0.2439
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068862414490  0.108278208300  0.201913907800  0.380987353900  0.584206555900  0.977387840600  0.998534423900  1.550980241000  2.516224762000  1.869451403000  0.743172888500
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.528315080000  5.272843730000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019020752854 -0.004633276197
  0.133425666113 -0.034650655842
  0.445452427579 -0.126705416281
  0.470473776991 -0.151596096952
  0.051254893618 -0.073135885982
  0.045590315381  0.597854365176
 -0.013870008042  0.514615648050
    4    1
  2.714431676000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042769211094
 -0.230460713796
 -0.510540342517
 -0.448807290269
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0031a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.4067 A, x=0.2439
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.9176000000e5  6.3830000000e4  1.5627000000e4  4.5518000000e3  1.4648000000e3  4.9768000000e2  1.8257000000e2 82.104000000000 29.159000000000 11.058200000000  4.877000000000
  1.386200000000  0.705250000000
  0.099444944050  0.115226144400  0.205997235900  0.358147006500  0.565291455800  0.649681703500  0.994166447300  1.545179420000  1.040048274000  3.279757426000  0.968537741200
  1.637420511000  0.541101691000
M2
  0
COREREP
 1.0
PROJOP
    2
   13    4
  1.2321284240e3  1.7176603800e2 29.739415620000  4.500645396000
      22517.10490000
       3391.91890000
        768.92999000
        207.12231700
        309.54630100
         35.21428790
         14.98494400
         27.52608110
          4.73467785
          2.10940082
          3.44043954
       6786.34226e-4
       2947.80988e-4
  0.016560923326  0.005796371030 -0.002409909432 -0.000905210241
  0.116515441577  0.040780741315 -0.016955072859 -0.006368664889
  0.428179534991  0.149864074807 -0.062307751780 -0.023404039274
  0.553166806648  0.193609981136 -0.080495626869 -0.030235769367
 -0.001339412820  0.116123758852 -0.057620660439 -0.022475198969
  0.007737834621 -0.670851008942  0.332876566981  0.129840009089
  0.005134643785 -0.445160840464  0.220889005685  0.086158754778
  0.036252355207  0.003159958609  0.276230970305  0.131691231428
 -0.113099643093 -0.009858399237 -0.861781916641 -0.410848652123
 -0.052487612765 -0.004575114717 -0.399938269404 -0.190667842692
  0.145272443828 -0.003967495351  0.001376928007 -0.341125471977
  0.006901337282  0.004150658669 -0.004729275632  0.943046441593
 -0.001818483408 -0.001706024281 -0.000904470063  0.359337635978
   10    3
  1.5653666770e2 23.938742860000  2.761735140000
        981.42971200
        230.97508700
         72.08684850
         24.82378740
         11.44808270
          4.71644961
          2.02374663
          1.10079266
       4804.63613e-4
       1967.85767e-4
  0.026051331489  0.012283027248  0.004362560866
  0.171614816817  0.080915229688  0.028738649467
  0.491725769062  0.231845386575  0.082344489673
  0.456213714456  0.215101692130  0.076397634337
  0.014986958632 -0.362449224269 -0.171190805221
  0.025261784816 -0.610938785864 -0.288556563760
  0.009002528472 -0.217719921787 -0.102832745189
 -0.019470641814  0.001896180209  0.447676781901
  0.011853964686 -0.005663943538  0.655535399108
 -0.003862955384  0.001488258884  0.077265798972
    7    1
 13.414987890000
         94.59558890
         26.71735310
          8.93579600
          2.97297813
          1.47868989
       4818.25361e-4
       1425.75771e-4
  0.047832977985
  0.250206553657
  0.528853898673
  0.398518302118
  0.020178289943
  0.025920029887
 -0.006600554804
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0031a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.4067 A, x=0.2439
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.6510000000e5  5.3630000000e4  1.2063000000e4  3.2760000000e3  1.0364000000e3  3.5920000000e2  1.2440000000e2 46.910000000000 17.980000000000  6.987000000000  1.446000000000
  0.587200000000  0.212400000000
 -0.100366741200 -0.127339046200 -0.229948391400 -0.414698598800 -0.652735356400 -1.138467409000 -1.275052176000 -1.278182211000 -3.420632041000 -2.794306939000 -2.403970586000
 -3.679136506000 -0.485163996700
M2
  0
COREREP
 1.0
PROJOP
    1
    9    3
  2.0830005230e2 20.762358250000  1.909474743000
       1364.96150000
        206.03730000
         44.78080200
         59.37822900
          5.18049520
          2.02243360
          3.42519800
          0.45919951
          0.14963825
 -0.065292279401  0.018780579077  0.005518380579
 -0.363439629498  0.116624079975  0.034642999321
 -0.487687494672  0.205843113182  0.063737299024
 -0.153074907969  0.092387318061  0.028528112289
 -0.358748936807 -0.653284572121 -0.265280370308
 -0.167385320249 -0.405833224528 -0.233212436623
  0.432795548308 -0.031670854869 -0.090829731227
  0.020922347972 -0.014339877484  0.772356534532
 -0.006694578025  0.001624017149  0.427539543085
    6    2
 15.652790720000  0.718027094600
         63.76258100
         14.19345700
          3.79556670
          1.04115910
          0.09954514
          0.35250026
  0.100430637900  0.025995685100
  0.457120399028  0.126610707032
  0.578083503549  0.158726177134
  0.067891860229 -0.217729166403
 -0.000391151338 -0.250560106797
 -0.000539912312 -0.693722053744
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*           E.1.2.e Cs2NaYCl6 Delta-a/a=-3.6% (a=10.3530 A, x=0.2439)
*             /Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0036a.
*             /Na.EMB-AIMP.Seijo.7s4p.1s1p.ECP.Cs2NaYCl6-0036a.
*             /Na.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0036a.
*             /Y.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0036a.
*             /Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0036a.
********************************************************************************
*   Cs2NaYCl6 with Delta.a/a0=-3.6% (a=10.3530 A, x=0.2439)
*   P=1 bar a0=10.7396 A, x=0.2439
*   C. Reber, H.U. Gudel, G. Meyer, T. Schleid, C.A. Daul. Inorg. Chem. 28 (1989) 3249-3258. doi:10.1021/ic00315a034
*   Oh5-Fm3m
********************************************************************************

/Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0036a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.3530 A, x=0.2439
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  4.1220000000e5  6.6070000000e4  1.6111000000e4  4.8290000000e3  1.5932000000e3  4.9900000000e2  2.0290000000e2 59.380000000000 27.750000000000  7.896000000000  4.315000000000
  1.866000000000  0.716600000000  0.390400000000  0.249900000000
  0.496332541600  0.591657816200  1.032489082000  1.673729900000  2.263163332000  3.270386835000  6.074189701000  4.559025899000 11.439760530000  1.735275792000 11.598325080000
  2.751118658000  4.285910763000  2.147817589000  0.080816478790
M2
  0
COREREP
 1.0
PROJOP
    2
   11    5
  2.6635715400e3  4.2580163100e2 92.049986000000 19.039925700000  2.362297505000
      33313.72970000
       3974.35337000
        773.54310200
         68.95959780
         23.82251990
         14.68367750
          7.10033807
          4.19897764
          1.83681080
       3628.48866e-4
       1568.36894e-4
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001224328688
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008563272431
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029211782756
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.145002363193
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104550823225
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.342288594248
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.375077944486
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.301469615077
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.841002425329
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.909157580492
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.376232556288
   10    4
  3.8190070700e2 77.532204200000 14.190449200000  1.130311273000
       1835.93935000
        412.74490500
        125.93392200
         18.54755560
          8.38114931
          4.59232246
          2.15034415
       4615.53695e-4
       2062.27972e-4
       9242.51022e-5
  0.056520125787  0.021686907394  0.009272738120  0.002895964502
  0.171899236514  0.111813193543  0.053187300783  0.018933394481
  0.737178558440  0.339659458519  0.151122413823  0.050183951531
  0.444446974330 -0.562858154294 -0.442982860886 -0.152527196726
 -0.460759081787 -0.485193638558 -0.216995649630 -0.108839300780
  0.324536875925 -0.003463784316  0.271144558213  0.197199520222
 -0.106213989013 -0.023768939091  0.842773248291  0.361882136246
  0.032403023471  0.005853287609  0.149950755473 -0.502906541584
 -0.024513628795 -0.004775439839 -0.078570531972 -0.590391130858
  0.008754292582  0.001732365898  0.025020547459 -0.028705107062
    7    2
 56.100838900000  6.874997900000
        214.30000000
         64.91000000
         24.62000000
         10.31500000
          4.14400000
          1.72500000
          0.66840000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Seijo.7s4p.1s1p.ECP.Cs2NaYCl6-0036a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.3530 A, x=0.2439
********************************************************************************
* with orthogonality functions
********************************************************************************
     1.0   1
* s-type functions
    7    1
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
 -0.004633358386
 -0.034651035533
 -0.126709073784
 -0.151611040627
 -0.073126674722
  0.597891053905
  0.514582516558
* p-type functions
    4    1
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042769131253
 -0.230459115043
 -0.510541441866
 -0.448807336783
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068862507280  0.108278316700  0.201914238700  0.380987660700  0.584207699200  0.977388414100  0.998535914000  1.550973842000  2.516270215000  1.869421939000  0.743159254200
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.524010880000  5.268547263000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019020751735 -0.004633358386
  0.133425664959 -0.034651035533
  0.445452346885 -0.126709073784
  0.470473385026 -0.151611040627
  0.051255234437 -0.073126674722
  0.045590753537  0.597891053905
 -0.013870378645  0.514582516558
    4    1
  2.710182487000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042769131253
 -0.230459115043
 -0.510541441866
 -0.448807336783
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0036a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.3530 A, x=0.2439
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068862507280  0.108278316700  0.201914238700  0.380987660700  0.584207699200  0.977388414100  0.998535914000  1.550973842000  2.516270215000  1.869421939000  0.743159254200
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.524010880000  5.268547263000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019020751735 -0.004633358386
  0.133425664959 -0.034651035533
  0.445452346885 -0.126709073784
  0.470473385026 -0.151611040627
  0.051255234437 -0.073126674722
  0.045590753537  0.597891053905
 -0.013870378645  0.514582516558
    4    1
  2.710182487000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042769131253
 -0.230459115043
 -0.510541441866
 -0.448807336783
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0036a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.3530 A, x=0.2439
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.9176000000e5  6.3830000000e4  1.5627000000e4  4.5518000000e3  1.4648000000e3  4.9768000000e2  1.8257000000e2 82.104000000000 29.159000000000 11.058200000000  4.877000000000
  1.386200000000  0.705250000000
  0.099444622760  0.115229020900  0.205992488100  0.358159624800  0.565272390900  0.649725135800  0.994088405600  1.545311439000  1.039863924000  3.280166931000  0.967982231600
  1.638808313000  0.539955472600
M2
  0
COREREP
 1.0
PROJOP
    2
   13    4
  1.2321185880e3  1.7175627990e2 29.729751430000  4.490695886000
      22517.10490000
       3391.91890000
        768.92999000
        207.12231700
        309.54630100
         35.21428790
         14.98494400
         27.52608110
          4.73467785
          2.10940082
          3.44043954
       6786.34226e-4
       2947.80988e-4
  0.016560923289  0.005796371031  0.002409911438 -0.000905433864
  0.116515441319  0.040780741325  0.016955086971 -0.006370238208
  0.428179534043  0.149864074844  0.062307803641 -0.023409821023
  0.553166805424  0.193609981184  0.080495693868 -0.030243238831
 -0.001339413799  0.116123787407  0.057619964385 -0.022485578777
  0.007737840280 -0.670851173903 -0.332872545853  0.129899973599
  0.005134647539 -0.445160949928 -0.220886337360  0.086198545807
  0.036252355327  0.003160128357 -0.276235093298  0.131701510108
 -0.113099643470 -0.009858928813  0.861794779501 -0.410880719420
 -0.052487612940 -0.004575360485  0.399944238838 -0.190682724577
  0.145272431432 -0.003966242037 -0.001407902109 -0.341462960543
  0.006901376548  0.004148806490  0.004776492970  0.944162363110
 -0.001818521564 -0.001704121089  0.000856850403  0.358381738963
   10    3
  1.5652688620e2 23.929058520000  2.752511681000
        981.42971200
        230.97508700
         72.08684850
         24.82378740
         11.44808270
          4.71644961
          2.02374663
          1.10079266
       4804.63613e-4
       1967.85767e-4
 -0.026051330299  0.012283008243  0.004362568989
 -0.171614808982  0.080915104494  0.028738702982
 -0.491725746614  0.231845027860  0.082344643008
 -0.456213693629  0.215101359321  0.076397776598
 -0.014987000148 -0.362448419996 -0.171186273428
 -0.025261854795 -0.610937430193 -0.288548925041
 -0.009002553410 -0.217719438668 -0.102830022983
  0.019470803064  0.001895702287  0.447355250914
 -0.011854145210 -0.005676223257  0.656463362417
  0.003863070581  0.001502887558  0.076398690957
    7    1
 13.405293440000
         94.59558890
         26.71735310
          8.93579600
          2.97297813
          1.47868989
       4818.25361e-4
       1425.75771e-4
 -0.047832711937
 -0.250205162001
 -0.528851418930
 -0.398517010006
 -0.020185095047
 -0.025924669461
  0.006602371710
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2NaYCl6-0036a.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 118 (2003) 1921-1928. doi:10.1063/1.1531659
From a SCEI calculation in Cs2NaYCl6 with a=10.3530 A, x=0.2439
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.6510000000e5  5.3630000000e4  1.2063000000e4  3.2760000000e3  1.0364000000e3  3.5920000000e2  1.2440000000e2 46.910000000000 17.980000000000  6.987000000000  1.446000000000
  0.587200000000  0.212400000000
 -0.100376999800 -0.127336683300 -0.229990902600 -0.414672481000 -0.652878443100 -1.138369518000 -1.275455973000 -1.277903741000 -3.421634441000 -2.794033361000 -2.405360795000
 -3.688575701000 -0.473410959000
M2
  0
COREREP
 1.0
PROJOP
    1
    9    3
  2.0829336590e2 20.756599470000  1.907022354000
       1364.96150000
        206.03730000
         44.78080200
         59.37822900
          5.18049520
          2.02243360
          3.42519800
          0.45919951
          0.14963825
 -0.065292246328  0.018780332277  0.005520239824
 -0.363439456918  0.116622600320  0.034659789226
 -0.487688320621  0.205842549369  0.063841357820
 -0.153073853903  0.092383932709  0.028475373837
 -0.358751813611 -0.653249648555 -0.266331739401
 -0.167386589795 -0.405821125283 -0.235550304849
  0.432798886580 -0.031699925289 -0.088384560546
  0.020922499864 -0.014375979845  0.774611252478
 -0.006694435278  0.001640903450  0.425855524169
    6    2
 15.646969250000  0.715396834500
         63.76258100
         14.19345700
          3.79556670
          1.04115910
          0.09954514
          0.35250026
  0.100428673232  0.026009482225
  0.457110967259  0.126706286898
  0.578083351924  0.158709662282
  0.067908013571 -0.217069370277
 -0.000398339581 -0.247331745317
 -0.000533312899 -0.696585906060
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.1.3. Cs2NaYBr6
********************************************************************************
*           E.1.3.a. Cs2NaYBr6 (a=11.3047 A, x=0.2446)
*             /Cs.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYBr6.
*             /Na.EMB-AIMP.Al-Abdalla.7s4p.1s1p.ECP.Cs2NaYBr6.
*             /Na.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYBr6.
*             /Y.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYBr6.
*             /Br.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYBr6.
********************************************************************************

/Cs.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYBr6.
A. Al-Abdalla, Z. Barandiaran, L. Seijo, R. Lindh. J. Chem. Phys. 108 (1998) 2005-2014. doi:10.1063/1.475610
From a SCEI calculation in Cs2NaYBr6 with a=11.3047 A, x=0.2446
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Cs(CS2NAYBR6)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  4.1220000000e5  6.6070000000e4  1.6111000000e4  4.8290000000e3  1.5932000000e3  4.9900000000e2  2.0290000000e2 59.380000000000 27.750000000000  0.716600000000  7.896000000000
  4.315000000000  1.866000000000  0.390400000000  0.249900000000
  0.496307922000  0.591624745000  1.032445480000  1.673633150000  2.263052910000  3.270092570000  6.073932180000  4.558168700000 11.439143600000  4.339024730000  1.733584450000
 11.595519300000  2.747893430000  1.918591950000  0.266984834000
M2
  0
COREREP
 1.0
PROJOP
    2
   11    5
  2.6635715400e3  4.2580163100e2 92.049986000000 19.039925700000  2.434800000000
      33313.72970000
       3974.35337000
        773.54310200
         68.95959780
         23.82251990
         14.68367750
          7.10033807
          4.19897764
          1.83681080
       3628.48866e-4
       1568.36894e-4
  0.051400731200  0.017713712500  0.007728950340  0.003475158890  0.001219823690
  0.254359876000  0.106434067000  0.050184496800  0.023581409400  0.008531764500
  0.736676609000  0.358208730000  0.168004100000  0.077418281600  0.029104298100
  0.288025410000 -0.825579235000 -0.739489962000 -0.390942721000 -0.144464418000
 -0.658799669000 -0.345777227000 -0.356661923000 -0.274413319000 -0.104162949000
  0.786232366000  0.112218164000  0.926930016000  0.875777668000  0.340975135000
 -0.543594819000 -0.040730461000  0.521270120000  0.686329463000  0.373638663000
  0.304811675000  0.016739812000  0.050760226600 -0.429460146000 -0.300160892000
 -0.067898881500 -0.003297786700  0.008617958740 -1.085791200000 -0.837351513000
  0.013543212500  0.000210733999 -0.000991882440 -0.073917256400  0.897933671000
 -0.006034411060 -0.000159447599  0.000496693802  0.023720667600  0.385853849000
   10    4
  3.8190070700e2 77.532204200000 14.190449200000  1.202000000000
       1835.93935000
        412.74490500
        125.93392200
         18.54755560
          8.38114931
          4.59232246
          2.15034415
       4615.53695e-4
       2062.27972e-4
        924.25102e-4
  0.056520125800  0.021686907400  0.009272738120  0.002894329380
  0.171899237000  0.111813194000  0.053187300800  0.018922702000
  0.737178558000  0.339659459000  0.151122414000  0.050155610100
  0.444446974000 -0.562858154000 -0.442982861000 -0.152485500000
 -0.460759082000 -0.485193639000 -0.216995650000 -0.108809547000
  0.324536876000 -0.003463784320  0.271144558000  0.197354214000
 -0.106213989000 -0.023768939100  0.842773248000  0.362166016000
  0.032403023400  0.005853287600  0.149950755000 -0.519247191000
 -0.024513628700 -0.004775439830 -0.078570531800 -0.538012107000
  0.008754292540  0.001732365890  0.025020547400 -0.078218125500
    7    2
 56.100838900000  6.874997900000
        214.30000000
         64.91000000
         24.62000000
         10.31500000
          4.14400000
          1.72500000
          0.66840000
  0.056355186000  0.025265276800
  0.259335436000  0.114380454000
  0.487532354000  0.219610461000
  0.361650038000  0.038915689900
  0.064477717300 -0.462584440000
 -0.002844159930 -0.526167083000
  0.000709728006 -0.150030084000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Al-Abdalla.7s4p.1s1p.ECP.Cs2NaYBr6.
A. Al-Abdalla, Z. Barandiaran, L. Seijo, R. Lindh. J. Chem. Phys. 108 (1998) 2005-2014. doi:10.1063/1.475610
From a SCEI calculation in Cs2NaYBr6 with a=11.3047 A, x=0.2446
********************************************************************************
* with orthogonality functions
********************************************************************************
     1.0   1
* s-type functions
    7    1
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.005087928050
  0.035174554700
  0.121689169000
  0.139379626000
  0.088131482300
 -0.594289321000
 -0.517047555000
* p-type functions
    4    1
         38.80258600
          8.67551940
          2.41015550
          0.65992043
  0.042831329400
  0.230689760000
  0.510689319000
  0.448429247000
********************************************************************************
* External AIMP: Na(CS2NAYBR6)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068766997600  0.108007922000  0.201821194000  0.379681194000  0.583941762000  0.975061993000  0.997599940000  1.561865600000  2.507566710000  1.873349400000  0.742337283000
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.599600000000  5.330800000000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019051987400  0.005087928050
  0.131712785000  0.035174554700
  0.455670852000  0.121689169000
  0.521913607000  0.139379626000
 -0.002596404790  0.088131482300
  0.034263585100 -0.594289321000
 -0.008552196640 -0.517047555000
    4    1
  2.771800000000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
  0.042831329400
  0.230689760000
  0.510689319000
  0.448429247000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYBr6.
A. Al-Abdalla, Z. Barandiaran, L. Seijo, R. Lindh. J. Chem. Phys. 108 (1998) 2005-2014. doi:10.1063/1.475610
From a SCEI calculation in Cs2NaYBr6 with a=11.3047 A, x=0.2446
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Na(CS2NAYBR6)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.5750000000e5  2.9190000000e4  5.4660000000e3  1.3399000000e3  4.0270000000e2  1.4030000000e2 50.700000000000 14.950000000000  4.839000000000  2.472000000000  1.049300000000
  0.068766997600  0.108007922000  0.201821194000  0.379681194000  0.583941762000  0.975061993000  0.997599940000  1.561865600000  2.507566710000  1.873349400000  0.742337283000
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.599600000000  5.330800000000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019051987400  0.005087928050
  0.131712785000  0.035174554700
  0.455670852000  0.121689169000
  0.521913607000  0.139379626000
 -0.002596404790  0.088131482300
  0.034263585100 -0.594289321000
 -0.008552196640 -0.517047555000
    4    1
  2.771800000000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
  0.042831329400
  0.230689760000
  0.510689319000
  0.448429247000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYBr6.
A. Al-Abdalla, Z. Barandiaran, L. Seijo, R. Lindh. J. Chem. Phys. 108 (1998) 2005-2014. doi:10.1063/1.475610
From a SCEI calculation in Cs2NaYBr6 with a=11.3047 A, x=0.2446
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Y(CS2NAYBR6)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.9176000000e5  6.3830000000e4  1.5627000000e4  4.5518000000e3  1.4648000000e3  4.9768000000e2  1.8257000000e2 82.104000000000 29.159000000000 11.058200000000  4.877000000000
  1.386200000000  0.705250000000
  0.099449668333  0.115181035333  0.206070515333  0.357949546667  0.565585796667  0.649013396667  0.995366080000  1.543141110000  1.042849296667  3.273507980000  0.977199186667
  1.614553510000  0.560132876667
M2
  0
COREREP
 1.0
PROJOP
    2
   13    4
  1.2322810000e3  1.7191740000e2 29.890000000000  4.660200000000
      22517.10490000
       3391.91890000
        768.92999000
        207.12231700
        309.54630100
         35.21428790
         14.98494400
         27.52608110
          4.73467785
          2.10940082
          3.44043954
       6786.34226e-4
       2947.80988e-4
  0.016560923400 -0.005796362970  0.002409832520 -0.000900231015
  0.116515441000 -0.040780684100  0.016954531500 -0.006333633150
  0.428179531000 -0.149863865000  0.062305762500 -0.023275302100
  0.553166802000 -0.193609709000  0.080493056900 -0.030069453300
 -0.001339389660 -0.116123184000  0.057635160100 -0.022244334100
  0.007737700850  0.670847687000 -0.332960332000  0.128506295000
  0.005134555010  0.445158636000 -0.220944590000  0.085273733700
  0.036252533400 -0.003158962610 -0.276133035000  0.131456056000
 -0.113100199000  0.009855291940  0.861476379000 -0.410114954000
 -0.052487870700  0.004573672670  0.399796475000 -0.190327346000
  0.145273437000  0.003985531830 -0.000708108451 -0.333548019000
  0.006900527400 -0.004193162000  0.003708631870  0.917781558000
 -0.001817603010  0.001751804810  0.002011436870  0.380928739000
   10    3
  1.5668860000e2 24.089000000000  2.899200000000
        981.42971200
        230.97508700
         72.08684850
         24.82378740
         11.44808270
          4.71644961
          2.02374663
          1.10079266
       4804.63613e-4
       1967.85767e-4
 -0.026051347600  0.012283513800 -0.004365325600
 -0.171614925000  0.080918435900 -0.028756862700
 -0.491726078000  0.231854573000 -0.082396675700
 -0.456214002000  0.215110215000 -0.076446051600
 -0.014986348800 -0.362469155000  0.171394611000
 -0.025260757000 -0.610972381000  0.288900096000
 -0.009002162170 -0.217731894000  0.102955169000
  0.019467238900  0.001931531450 -0.453867511000
 -0.011849623700 -0.005453124810 -0.640047049000
  0.003860163900  0.001244771500 -0.090872535700
    7    1
 13.565400000000
         94.59558890
         26.71735310
          8.93579600
          2.97297813
          1.47868989
       4818.25361e-4
       1425.75771e-4
 -0.047838172600
 -0.250233725000
 -0.528905608000
 -0.398548907000
 -0.020028284300
 -0.025837200700
  0.006556526810
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Br.EMB-AIMP.Al-Abdalla.0s.0s.ECP.Cs2NaYBr6.
A. Al-Abdalla, Z. Barandiaran, L. Seijo, R. Lindh. J. Chem. Phys. 108 (1998) 2005-2014. doi:10.1063/1.475610
From a SCEI calculation in Cs2NaYBr6 with a=11.3047 A, x=0.2446
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Br(CS2NAYBR6)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 16
  4.3062512000e5  7.9614449900e4  2.1396925400e4  6.6883583400e3  2.2928019500e3  8.4590481300e2  3.6411753400e2  1.5757343700e2 71.883730400000 31.291657700000 11.732959000000
  6.186648440000  3.283843750000  1.048375000000  0.456100000000  0.239000000000
 -0.246516127000 -0.253945315000 -0.445911068000 -0.715834459000 -1.206774690000 -1.552973350000 -1.358750310000 -2.404839730000 -4.864014530000 -1.905209480000 -5.410272600000
 -6.438576590000 -2.453831240000 -2.698405460000 -3.794933730000 -0.249211321000
M2
  0
COREREP
 1.0
PROJOP
    2
    9    4
  9.9759451000e2  1.3433011000e2 20.404000000000  1.878600000000
       8934.74771000
       1227.84330000
        261.00912400
         25.08448110
          9.67580781
          5.45049062
          2.27282624
       3906.78612e-4
       1475.41385e-4
  0.055411250700  0.017323643700  0.006943508080 -0.001903288490
  0.287394342000  0.110580112000  0.044822562900 -0.013195896500
  0.711687989000  0.342704101000  0.145575233000 -0.042852542900
  0.223923493000 -0.796802231000 -0.593705121000  0.185368430000
 -0.301211162000 -0.303614659000 -0.326800586000  0.131744278000
  0.228347648000  0.010633033900  0.546475683000 -0.242615834000
 -0.061768634100 -0.005676175170  0.809540390000 -0.503832467000
  0.013508956300  0.000652207553  0.052355309500  0.701197849000
 -0.005939876050 -0.000281080412 -0.017430546900  0.493901990000
    9    3
  1.1814592000e2 15.107869000000  0.721533333000
        588.01724000
        135.47904600
         41.42742360
          6.04008628
          2.72830922
       5785.60434e-4
       2350.97127e-4
        900.10895e-4
          0.04300000
  0.063087287200  0.019119893100 -0.004994591880
  0.195553259000  0.111645092000 -0.028236302800
  0.742355613000  0.276838284000 -0.068499577500
  0.310754671000 -0.424595968000  0.151172602000
 -0.154381396000 -0.588070465000  0.167385944000
  0.058069021100 -0.116626919000 -0.297756286000
 -0.046314900300  0.061483066000 -0.701517797000
  0.027664978400 -0.032802608300 -0.150063199000
 -0.011157845800  0.012839947100  0.076555079700
    6    1
  6.315109000000
         96.24691000
         29.06600500
         10.97346000
          4.42568910
          1.80459100
          0.68350000
  0.026631030900
  0.134401869000
  0.326604459000
  0.429958068000
  0.302954729000
  0.074571884700
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.1.4. Cs2NaYF6
********************************************************************************
*           E.1.4.a. Cs2NaYF6 (a=9.075 A, x=0.24)
*             /Cs.EMB-AIMP.Ruiperez.0s.0s.ECP.Cs2NaYF6.
*             /Na.EMB-AIMP.Ruiperez.7s4p.1s1p.ECP.Cs2NaYF6.
*             /Na.EMB-AIMP.Ruiperez.0s.0s.ECP.Cs2NaYF6.
*             /Y.EMB-AIMP.Ruiperez.0s.0s.ECP.Cs2NaYF6.
*             /F.EMB-AIMP.Ruiperez.0s.0s.ECP.Cs2NaYF6.
********************************************************************************
*   Cs2NaYF6
*   P=1 bar: a0=9.075 A, x=0.24
*   A. Vedrine, J.P. Besse, G. Baud, M. Capestan. Rev. Chim. Miner. 7 (1970) 593-610.
*   Oh5-Fm3m
********************************************************************************

/Cs.EMB-AIMP.Ruiperez.0s.0s.ECP.Cs2NaYF6.
F. Ruiperez, L. Seijo, Z. Barandiaran. Unpublished.
From a SCEI calculation in Cs2NaYF6 (a=9.075, x=0.24)
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Cs(CS2NAYF6)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  4.1220000000e5  6.6070000000e4  1.6111000000e4  4.8290000000e3  1.5932000000e3  4.9900000000e2  2.0290000000e2 59.380000000000 27.750000000000  7.896000000000  4.315000000000
  1.866000000000  0.716600000000  0.390400000000  0.204900000000
  0.496342976000  0.591672263700  1.032506890000  1.673772747000  2.263208745000  3.270524603000  6.074280365000  4.559418900000 11.440001710000  1.735841122000 11.600194030000
  2.750044447000  4.274549309000  2.225812672000  0.011829223410
M2
  0
COREREP
 1.0
PROJOP
    2
   11    5
  2.6635715400e3  4.2580163100e2 92.049986000000 19.039925700000  2.265229139000
      33313.72970000
       3974.35337000
        773.54310200
         68.95959780
         23.82251990
         14.68367750
          7.10033807
          4.19897764
          1.83681080
       3628.48866e-4
       1568.36894e-4
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001225416569
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008570881350
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029237738967
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.145132308069
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104644517173
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.342609652638
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.375429758490
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.301800531989
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.841925576159
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.912136080962
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.373677018679
   10    4
  3.8190070700e2 77.532204200000 14.190449200000  1.031378405000
       1835.93935000
        412.74490500
        125.93392200
         18.54755560
          8.38114931
          4.59232246
          2.15034415
       4615.53695e-4
       2062.27972e-4
       9242.51022e-5
  0.056520125787  0.021686907394  0.009272738120  0.002898548180
  0.171899236514  0.111813193543  0.053187300783  0.018950286191
  0.737178558440  0.339659458519  0.151122413823  0.050228723893
  0.444446974330 -0.562858154294 -0.442982860886 -0.152652145799
 -0.460759081787 -0.485193638558 -0.216995649630 -0.108928461075
  0.324536875925 -0.003463784316  0.271144558213  0.197306753872
 -0.106213989013 -0.023768939091  0.842773248291  0.362078921422
  0.032403023471  0.005853287609  0.149950755473 -0.498378762908
 -0.024513628795 -0.004775439839 -0.078570531972 -0.608090988865
  0.008754292582  0.001732365898  0.025020547459 -0.010644216277
    7    2
 56.100838900000  6.874997900000
        214.30000000
         64.91000000
         24.62000000
         10.31500000
          4.14400000
          1.72500000
          0.66840000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Ruiperez.7s4p.1s1p.ECP.Cs2NaYF6.
F. Ruiperez, L. Seijo, Z. Barandiaran. Unpublished.
From a SCEI calculation in Cs2NaYF6 with a=9.075 A, x=0.24
********************************************************************************
* with orthogonality functions
********************************************************************************
     1.0   1
* s-type functions
    7    1
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
 -0.004632111687
 -0.034644085223
 -0.126659444569
 -0.151441287601
 -0.073212734185
  0.597322765600
  0.515102670695
* p-type functions
    4    1
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042778481715
 -0.230486266747
 -0.510716343157
 -0.448579648815
********************************************************************************
* External AIMP: Na(CS2NAYF6)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.9780000000e5  6.4386000000e4  1.5245000000e4  4.1813000000e3  1.3137000000e3  4.4378000000e2  1.6205000000e2 64.720000000000 23.842000000000  8.964500000000  3.419300000000
  1.279500000000
  0.051329779430  0.059624427880  0.109874974900  0.190760723600  0.316354594500  0.556028884800  0.809782795600  0.985475262000  0.877764972500  1.808527634000  3.011113632000
  1.223362318000
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.428980860000  5.176030002000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019020736186 -0.004632111687
  0.133425392277 -0.034644085223
  0.445452877430 -0.126659444569
  0.470481790059 -0.151441287601
  0.051246921801 -0.073212734185
  0.045585687447  0.597322765600
 -0.013859935326  0.515102670695
    4    1
  2.614766452000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042778481715
 -0.230486266747
 -0.510716343157
 -0.448579648815
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Ruiperez.0s.0s.ECP.Cs2NaYF6.
F. Ruiperez, L. Seijo, Z. Barandiaran. Unpublished.
From a SCEI calculation in Cs2NaYF6 (a=9.075, x=0.24)
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Na(CS2NAYF6)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.9780000000e5  6.4386000000e4  1.5245000000e4  4.1813000000e3  1.3137000000e3  4.4378000000e2  1.6205000000e2 64.720000000000 23.842000000000  8.964500000000  3.419300000000
  1.279500000000
  0.051329779430  0.059624427880  0.109874974900  0.190760723600  0.316354594500  0.556028884800  0.809782795600  0.985475262000  0.877764972500  1.808527634000  3.011113632000
  1.223362318000
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 80.428980860000  5.176030002000
       1562.63160000
        235.88220000
         53.17220000
         14.15975900
         21.42552200
          1.93426680
          0.62799346
  0.019020736186 -0.004632111687
  0.133425392277 -0.034644085223
  0.445452877430 -0.126659444569
  0.470481790059 -0.151441287601
  0.051246921801 -0.073212734185
  0.045585687447  0.597322765600
 -0.013859935326  0.515102670695
    4    1
  2.614766452000
         38.80258600
          8.67551940
          2.41015550
          0.65992043
 -0.042778481715
 -0.230486266747
 -0.510716343157
 -0.448579648815
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.EMB-AIMP.Ruiperez.0s.0s.ECP.Cs2NaYF6.
F. Ruiperez, L. Seijo, Z. Barandiaran. Unpublished.
From a SCEI calculation in Cs2NaYF6 (a=9.075, x=0.24)
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Y(CS2NAYF6)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.9416000000e5  6.4010000000e4  1.5607000000e4  4.5438000000e3  1.4688000000e3  4.9968000000e2  1.8217000000e2 81.864000000000 29.369000000000 11.112200000000  4.809000000000
  1.374200000000  0.731150000000
  0.099187800180  0.115402147200  0.206685329900  0.357588651300  0.562672302200  0.651277340000  1.002225089000  1.539605795000  1.021521820000  3.295108371000  0.988121479100
  1.612864675000  0.547739200200
M2
  0
COREREP
 1.0
PROJOP
    2
   13    4
  1.2318092750e3  1.7144903620e2 29.425458530000  4.194079038000
      22517.10490000
       3391.91890000
        768.92999000
        207.12231700
        309.54630100
         35.21428790
         14.98494400
         27.52608110
          4.73467785
          2.10940082
          3.44043954
       6786.34226e-4
       2947.80988e-4
  0.016560920428  0.005796355574 -0.002409865540 -0.000906856143
  0.116515421189  0.040780632574 -0.016954764058 -0.006380244740
  0.428179460068  0.149863675199 -0.062306616978 -0.023446593766
  0.553166709855  0.193609464880 -0.080494160814 -0.030290745681
 -0.001339409015  0.116124039439 -0.057616906795 -0.022561292815
  0.007737812643 -0.670852629904  0.332854882045  0.130337376239
  0.005134629200 -0.445161916096  0.220874616075  0.086488795839
  0.036252909734  0.003166641539  0.276234221551  0.131705478291
 -0.113101373100 -0.009879248558 -0.861792059836 -0.410893099307
 -0.052488415632 -0.004584790531 -0.399942976687 -0.190688469871
  0.145274639193 -0.003941856918  0.001506859326 -0.343862133443
  0.006901541568  0.004148977852 -0.004929808090  0.950796555206
 -0.001818528008 -0.001705253153 -0.000822797224  0.352691975942
   10    3
  1.5621929150e2 23.623917850000  2.450053776000
        981.42971200
        230.97508700
         72.08684850
         24.82378740
         11.44808270
          4.71644961
          2.02374663
          1.10079266
       4804.63613e-4
       1967.85767e-4
  0.026051295182  0.012282818229 -0.004371075652
  0.171614577649  0.080913852764 -0.028794741171
  0.491725083776  0.231841441293 -0.082505208523
  0.456213078661  0.215098031773 -0.076546746196
  0.014988133553 -0.362438341009  0.171464488316
  0.025263765246 -0.610920441210  0.289017879738
  0.009003234237 -0.217713384313  0.102997144113
 -0.019472600071  0.001860750657 -0.443884131686
  0.011854280094 -0.005725624949 -0.672616843039
 -0.003862117036  0.001566841810 -0.059096646864
    7    1
 13.099737680000
         94.59558890
         26.71735310
          8.93579600
          2.97297813
          1.47868989
       4818.25361e-4
       1425.75771e-4
  0.047828800826
  0.250184703614
  0.528821046346
  0.398522240446
  0.020234233843
  0.026024277063
 -0.006737135911
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Ruiperez.0s.0s.ECP.Cs2NaYF6.
F. Ruiperez, L. Seijo, Z. Barandiaran. Unpublished.
From a SCEI calculation in Cs2NaYF6 (a=9.075, x=0.24)
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(CS2NAYF6)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1880000000e5  2.1530000000e4  3.6350000000e3  8.1870000000e2  2.3170000000e2 71.240000000000 23.100000000000  7.426000000000  2.449000000000  0.844800000000  0.283800000000
 -0.059252317040 -0.100271075500 -0.204775408300 -0.384045033300 -0.673954526400 -1.077214217000 -0.944748162900 -1.346003889000 -2.969112515000 -2.069677658000 -0.170945197800
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 51.701406460000  2.710788865000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120784112251 -0.028007200956
  0.458965427747 -0.126215475677
  0.521975679445 -0.217224575707
  0.063830610152  0.265892021906
 -0.024834013182  0.633798170546
  0.007038439839  0.233939492371
    4    1
  0.892634693200
          7.96800000
          1.77800000
          0.45820000
          0.11090000
 -0.158287712116
 -0.436046330025
 -0.550879524558
 -0.118400600270
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*    E.2. Perovskites
********************************************************************************
*         E.2.1. KMgF3
********************************************************************************
*           E.2.1.a. KMgF3 (a=3.973 A)
*             /K.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KMgF3.
*             /Mg.EMB-AIMP.Lopez-Moraza.7s4p.1s1p.ECP.KMgF3.
*             /Mg.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KMgF3.
*             /F.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KMgF3.
********************************************************************************
*         E.2.2. KZnF3
********************************************************************************
*           E.2.2.a. KZnF3 (a=4.054 A)
*             /K.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KZnF3.
*             /Zn.EMB-AIMP.Lopez-Moraza.11s8p5d.1s1p1d.ECP.KZnF3.
*             /Zn.EMB-AIMP.Lopez-Moraza.11s8p.1s1p.ECP.KZnF3.
*             /Zn.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KZnF3.
*             /F.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KZnF3.
********************************************************************************
*         E.2.3. KCdF3
********************************************************************************
*           E.2.3.a. KCdF3 (a=4.302 A)
*             /K.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KCdF3.
*             /Cd.EMB-AIMP.Lopez-Moraza.11s7p6d.1s1p1d.ECP.KCdF3.
*             /Cd.EMB-AIMP.Lopez-Moraza.11s7p.1s1p.ECP.KCdF3.
*             /Cd.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KCdF3.
*             /F.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KCdF3.
********************************************************************************
*         E.2.4. CsCaF3
********************************************************************************
*           E.2.4.a. CsCaF3 (a=4.526 A)
*             /Cs.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.CsCaF3.
*             /Ca.EMB-AIMP.Lopez-Moraza.10s7p.1s1p.ECP.CsCaF3.
*             /Ca.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.CsCaF3.
*             /F.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.CsCaF3.
********************************************************************************
*         E.2.5. CsCaBr3
********************************************************************************
*           E.2.5.a. CsCaBr3 (a=5.690 A)
*             /Cs.EMB-AIMP.Sanchez-Sanz.0s.0s.ECP.CsCaBr3.
*             /Ca.EMB-AIMP.Sanchez-Sanz.10s7p.1s1p.ECP.CsCaBr3.
*             /Ca.EMB-AIMP.Sanchez-Sanz.0s.0s.ECP.CsCaBr3.
*             /Br.EMB-AIMP.Sanchez-Sanz.0s.0s.ECP.CsCaBr3.
********************************************************************************
*         E.2.6. CaFeO3
********************************************************************************
*           E.2.6.a. CaFeO3
*             /Fe.EMB-AIMP.Sadoc.0s.0s.0e-Fe(CaFeO3).
*             /Ca.EMB-AIMP.Sadoc.0s.0s.0e-Ca(CaFeO3).
*             /O.EMB-AIMP.Sadoc.0s.0s.0e-O(CaFeO3).
*             /O.EMB-AIMP.Sadoc.11s6p.1s1p.0e-O(CaFeO3).
*             /Fe.EMB-AIMP.Sadoc.22s16p.1s1p.0e-Fe(CaFeO3).
********************************************************************************
*         E.2.7. LaMnO3
********************************************************************************
*           E.2.7.a. LaMnO3
*             /La.EMB-AIMP.Sadoc.0s.0s.0e-La(LaMnO3).
*             /Mn.EMB-AIMP.Sadoc.0s.0s.0e-Mn(LaMnO3).
*             /O.EMB-AIMP.Sadoc.0s.0s.0e-O1(LaMnO3).
*             /O.EMB-AIMP.Sadoc.0s.0s.0e-O2(LaMnO3).
*             /Mn.EMB-AIMP.Sadoc.22s16p.1s1p.0e-Mn(LaMnO3).
*             /O.EMB-AIMP.Sadoc.11s6p.1s1p.0e-O1(LaMnO3).
*             /O.EMB-AIMP.Sadoc.11s6p.1s1p.0e-O2(LaMnO3).
********************************************************************************
*         E.2.8. CaMnO3
********************************************************************************
*           E.2.8.a. CaMnO3
*             /Ca.EMB-AIMP.Sadoc.0s.0s.0e-Ca(CaMnO3).
*             /Mn.EMB-AIMP.Sadoc.0s.0s.0e-Mn(CaMnO3).
*             /O.EMB-AIMP.Sadoc.0s.0s.0e-O(CaMnO3).
*             /Mn.EMB-AIMP.Sadoc.22s16p.1s1p.0e-Mn(CaMnO3).
*             /O.EMB-AIMP.Sadoc.11s6p.1s1p.0e-O(CaMnO3).
********************************************************************************

********************************************************************************
*         E.2.1. KMgF3
********************************************************************************
*           E.2.1.a. KMgF3 (a=3.973 A)
*             /K.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KMgF3.
*             /Mg.EMB-AIMP.Lopez-Moraza.7s4p.1s1p.ECP.KMgF3.
*             /Mg.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KMgF3.
*             /F.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KMgF3.
********************************************************************************

/K.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KMgF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KMgF3 with a=3.973 A
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: K(KMGF3)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.2767183000e5  4.5224012000e4  9.8941830000e3  2.6721860000e3  8.4901433000e2  2.9148500000e2  1.0303621900e2 39.750630000000 16.926936000000  7.621041600000  1.938900000000
  0.909690000000  0.420060000000
  0.124772132000  0.164584625000  0.301070717000  0.527310513000  0.870356206000  1.312591520000  1.240827910000  1.946658070000  3.580368450000  1.531508260000  2.888952820000
  3.037194740000  0.473804039000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  2.6644400700e2 28.659794400000  3.198805260000
       4966.51240000
        749.95444000
        169.94574000
         45.60050400
         68.51191700
          7.15083800
          2.84798000
          4.61009100
          0.69029500
          0.26933700
  0.017803378800 -0.005124990960  0.001684947020
  0.126624785000 -0.038575669500  0.012783835400
  0.426646215000 -0.146877050000  0.049029321400
  0.445026313000 -0.189930456000  0.064212305700
  0.083403420600 -0.081274403700  0.030719638200
  0.174914400000  0.648805827000 -0.272166043000
  0.080153206100  0.467720469000 -0.223641907000
 -0.197513117000 -0.009800907730 -0.159614895000
 -0.010018662600  0.016715063500  0.771574823000
  0.003459520210 -0.001288034540  0.432147067000
    7    2
 22.718921200000  1.604274000000
        180.01807000
         41.67905100
         12.52374500
          4.06833600
          1.55218900
          0.57918200
          0.21699500
  0.031580848400 -0.009801404240
  0.192023035000 -0.061648489200
  0.506189951000 -0.173294789000
  0.436548672000 -0.145557367000
  0.023248656600  0.297287468000
  0.016024107400  0.600267916000
 -0.005314409300  0.272803502000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mg.EMB-AIMP.Lopez-Moraza.7s4p.1s1p.ECP.KMgF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KMgF3 with a=3.973 A
********************************************************************************
* with orthogonality-functions
* MG-KMGF3-(7/4)                (7/4)
********************************************************************************
     2.0   1
* s-type functions
    7    1
       1894.17840000
        285.51327000
         64.27509900
         17.10119200
         25.82549500
          2.39817300
          0.81952000
 -0.004706623030
 -0.035346799200
 -0.130856673000
 -0.159346254000
 -0.074676942600
  0.607379639000
  0.504396360000
* p-type functions
    4    1
         50.71731100
         11.43098500
          3.23697000
          0.92860600
  0.040412996900
  0.223615485000
  0.512378139000
  0.444070343000
********************************************************************************
* External AIMP: MG(KMGF3)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.6605117000e5  5.5343575500e4  1.2530508000e4  3.3904975900e3  1.0516769300e3  3.6378481500e2  1.2896899700e2 47.874938300000 15.130963800000  5.852792000000  3.403400000000
  1.669640000000
  0.030320655450  0.037150170150  0.069277062500  0.119354354500  0.201283847000  0.338320599000  0.514782620000  0.491602689000  0.800746870000  1.153071635000  0.768093930000
  0.475995567000
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 97.731226300000  7.295329390000
       1894.17840000
        285.51327000
         64.27509900
         17.10119200
         25.82549500
          2.39817300
          0.81952000
  0.018650506900 -0.004706623030
  0.131508649000 -0.035346799200
  0.442660609000 -0.130856673000
  0.471873499000 -0.159346254000
  0.053057617100 -0.074676942600
  0.048378298200  0.607379639000
 -0.015180828600  0.504396360000
    4    1
  4.342659450000
         50.71731100
         11.43098500
          3.23697000
          0.92860600
  0.040412996900
  0.223615485000
  0.512378139000
  0.444070343000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mg.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KMgF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KMgF3 with a=3.973 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: MG(KMGF3)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.6605117000e5  5.5343575500e4  1.2530508000e4  3.3904975900e3  1.0516769300e3  3.6378481500e2  1.2896899700e2 47.874938300000 15.130963800000  5.852792000000  3.403400000000
  1.669640000000
  0.030320655450  0.037150170150  0.069277062500  0.119354354500  0.201283847000  0.338320599000  0.514782620000  0.491602689000  0.800746870000  1.153071635000  0.768093930000
  0.475995567000
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 97.731226300000  7.295329390000
       1894.17840000
        285.51327000
         64.27509900
         17.10119200
         25.82549500
          2.39817300
          0.81952000
  0.018650506900 -0.004706623030
  0.131508649000 -0.035346799200
  0.442660609000 -0.130856673000
  0.471873499000 -0.159346254000
  0.053057617100 -0.074676942600
  0.048378298200  0.607379639000
 -0.015180828600  0.504396360000
    4    1
  4.342659450000
         50.71731100
         11.43098500
          3.23697000
          0.92860600
  0.040412996900
  0.223615485000
  0.512378139000
  0.444070343000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KMgF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KMgF3 with a=3.973 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(KMGF3)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.7495117000e5  3.2663575500e4  6.1775080000e3  1.4809769300e3  4.2959759000e2  1.3958481500e2 49.404938300000 17.070963800000  6.156792000000  2.800997000000  1.343400000000
  0.496140000000
 -0.051440955100 -0.075279429100 -0.153850154000 -0.265346550000 -0.481393360000 -0.773030411000 -1.035341820000 -0.825664412000 -1.345042760000 -1.807136340000 -2.141554860000
 -1.044918950000
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 52.167342200000  2.833051690000
       1040.66250000
        156.68433000
         35.11987900
          9.29325100
         13.98919800
          1.16228700
          0.32317700
  0.019039184500 -0.004250575860
  0.133773706000 -0.031828086900
  0.447596819000 -0.115745154000
  0.474810312000 -0.138666711000
  0.047802160000 -0.067731336600
  0.040587776400  0.592064150000
 -0.011507606500  0.526518213000
    5    1
  1.069413650000
         19.10617300
          4.14631700
          1.07208700
          0.23985000
          0.07400000
  0.052939578500
  0.259761660000
  0.517610751000
  0.479822726000
 -0.057725840100
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.2.2. KZnF3
********************************************************************************
*           E.2.2.a. KZnF3 (a=4.054 A)
*             /K.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KZnF3.
*             /Zn.EMB-AIMP.Lopez-Moraza.11s8p5d.1s1p1d.ECP.KZnF3.
*             /Zn.EMB-AIMP.Lopez-Moraza.11s8p.1s1p.ECP.KZnF3.
*             /Zn.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KZnF3.
*             /F.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KZnF3.
********************************************************************************

/K.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KZnF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KZnF3 with a=4.054 A
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: K(KZNF3)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.3097183000e5  4.6284012000e4  1.0200183000e4  2.7581860000e3  8.7351433000e2  2.9778500000e2  1.0633621900e2 40.340630000000 16.986936000000  7.531041600000  1.934900000000
  0.915790000000  0.432460000000
  0.123886233000  0.161156003000  0.296629185000  0.516247755000  0.867367131000  1.300875010000  1.238330420000  1.952826200000  3.622802760000  1.529074460000  2.872562080000
  2.994082940000  0.524159820000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  2.6646762200e2 28.682253300000  3.217793400000
       4966.51240000
        749.95444000
        169.94574000
         45.60050400
         68.51191700
          7.15083800
          2.84798000
          4.61009100
          0.69029500
          0.26933700
  0.017803387600 -0.005125057020  0.001684851580
  0.126624862000 -0.038576227900  0.012783925500
  0.426646438000 -0.146878785000  0.049021724700
  0.445025503000 -0.189929259000  0.064155443600
  0.083404359400 -0.081278877600  0.030760687600
  0.174911670000  0.648823855000 -0.271635802000
  0.080151545200  0.467700422000 -0.222276752000
 -0.197509681000 -0.009788794990 -0.161083968000
 -0.010018069600  0.016700477200  0.770667152000
  0.003459225650 -0.001289343950  0.432746552000
    7    2
 22.741465000000  1.624094840000
        180.01807000
         41.67905100
         12.52374500
          4.06833600
          1.55218900
          0.57918200
          0.21699500
  0.031581341700 -0.009792683810
  0.192026719000 -0.061617931600
  0.506198165000 -0.173092453000
  0.436544652000 -0.145811907000
  0.023238831400  0.298354922000
  0.016015576600  0.596745901000
 -0.005308506910  0.276209551000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Zn.EMB-AIMP.Lopez-Moraza.11s8p5d.1s1p1d.ECP.KZnF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KZnF3 with a=4.054 A
********************************************************************************
* with orthogonality-functions
* ZN-KZNF3-(11/8/5)             (A1/8/5)
********************************************************************************
     2.0   2
* s-type functions
   11    1
      34583.90000000
       5182.18940000
       1174.33550000
        330.18773000
        101.84016000
        173.64285000
         20.24587200
          8.33751600
         14.89622500
          2.43330400
          0.95703400
  0.000519341509
  0.003536921230
  0.017238742900
  0.040807309600
  0.037345249400
  0.058615774300
 -0.433470306000
 -0.180338170000
 -0.108613350000
  0.786443088000
  0.432871236000
* p-type functions
    8    1
       1048.96930000
        248.23974000
         78.99782300
         28.61507300
         10.69129400
          5.63524400
          2.16989800
          0.80502800
 -0.003496370670
 -0.026162455400
 -0.107131209000
 -0.215807350000
 -0.121608720000
  0.347162127000
  0.602263017000
  0.245658548000
* d-type functions
    5    1
         56.07887300
         15.76607500
          5.32085000
          1.77792200
          0.52066200
  0.029835065800
  0.160419256000
  0.381267161000
  0.480057535000
  0.289329706000
********************************************************************************
* External AIMP: ZN(KZNF3)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.2945117000e5  7.4963575500e4  1.9433508000e4  5.8481975900e3  1.9517969300e3  7.1824481500e2  2.7946899700e2  1.0408993800e2 46.471963800000 18.681792000000  6.413400000000
  3.117880000000  2.004410000000  0.829230000000
  0.099427063500  0.107371309000  0.187606207000  0.319598078500  0.528855040000  0.715377290000  0.758061615000  1.343180495000  2.076155340000  1.116522330000  3.087679615000
  1.991087355000  1.191454925000  0.477623325000
M2
  0
COREREP
 1.0
PROJOP
    2
   11    3
  7.0630088800e2 88.554098200000 11.139874300000
      34583.90000000
       5182.18940000
       1174.33550000
        330.18773000
        101.84016000
        173.64285000
         20.24587200
          8.33751600
         14.89622500
          2.43330400
          0.95703400
 -0.005104414410 -0.002269381020  0.000519341509
 -0.038509043000 -0.016791740700  0.003536921230
 -0.174421565000 -0.077105882400  0.017238742900
 -0.462153231000 -0.200193429000  0.040807309600
 -0.434339999000 -0.192367669000  0.037345249400
 -0.022467882600 -0.125282604000  0.058615774300
  0.471334628000  0.827397477000 -0.433470306000
 -0.069461831900  0.419756440000 -0.180338170000
 -0.497453921000 -0.118669403000 -0.108613350000
  0.011092325200  0.006830488240  0.786443088000
  0.008758680230 -0.002018988450  0.432871236000
    8    2
 77.732400800000  7.573754060000
       1048.96930000
        248.23974000
         78.99782300
         28.61507300
         10.69129400
          5.63524400
          2.16989800
          0.80502800
  0.009248887900 -0.003496370670
  0.068631406900 -0.026162455400
  0.261671644000 -0.107131209000
  0.507475908000 -0.215807350000
  0.326597122000 -0.121608720000
  0.001176683380  0.347162127000
  0.018566676000  0.602263017000
 -0.003986554490  0.245658548000
    5    1
  1.455364530000
         56.07887300
         15.76607500
          5.32085000
          1.77792200
          0.52066200
  0.029835065800
  0.160419256000
  0.381267161000
  0.480057535000
  0.289329706000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Zn.EMB-AIMP.Lopez-Moraza.11s8p.1s1p.ECP.KZnF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KZnF3 with a=4.054 A
********************************************************************************
* with orthogonality-functions
* ZN-KZNF3-(11/8)               (A1/8)
********************************************************************************
     2.0   1
* s-type functions
   11    1
      34583.90000000
       5182.18940000
       1174.33550000
        330.18773000
        101.84016000
        173.64285000
         20.24587200
          8.33751600
         14.89622500
          2.43330400
          0.95703400
  0.000519341509
  0.003536921230
  0.017238742900
  0.040807309600
  0.037345249400
  0.058615774300
 -0.433470306000
 -0.180338170000
 -0.108613350000
  0.786443088000
  0.432871236000
* p-type functions
    8    1
       1048.96930000
        248.23974000
         78.99782300
         28.61507300
         10.69129400
          5.63524400
          2.16989800
          0.80502800
 -0.003496370670
 -0.026162455400
 -0.107131209000
 -0.215807350000
 -0.121608720000
  0.347162127000
  0.602263017000
  0.245658548000
********************************************************************************
* External AIMP: ZN(KZNF3)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.2945117000e5  7.4963575500e4  1.9433508000e4  5.8481975900e3  1.9517969300e3  7.1824481500e2  2.7946899700e2  1.0408993800e2 46.471963800000 18.681792000000  6.413400000000
  3.117880000000  2.004410000000  0.829230000000
  0.099427063500  0.107371309000  0.187606207000  0.319598078500  0.528855040000  0.715377290000  0.758061615000  1.343180495000  2.076155340000  1.116522330000  3.087679615000
  1.991087355000  1.191454925000  0.477623325000
M2
  0
COREREP
 1.0
PROJOP
    2
   11    3
  7.0630088800e2 88.554098200000 11.139874300000
      34583.90000000
       5182.18940000
       1174.33550000
        330.18773000
        101.84016000
        173.64285000
         20.24587200
          8.33751600
         14.89622500
          2.43330400
          0.95703400
 -0.005104414410 -0.002269381020  0.000519341509
 -0.038509043000 -0.016791740700  0.003536921230
 -0.174421565000 -0.077105882400  0.017238742900
 -0.462153231000 -0.200193429000  0.040807309600
 -0.434339999000 -0.192367669000  0.037345249400
 -0.022467882600 -0.125282604000  0.058615774300
  0.471334628000  0.827397477000 -0.433470306000
 -0.069461831900  0.419756440000 -0.180338170000
 -0.497453921000 -0.118669403000 -0.108613350000
  0.011092325200  0.006830488240  0.786443088000
  0.008758680230 -0.002018988450  0.432871236000
    8    2
 77.732400800000  7.573754060000
       1048.96930000
        248.23974000
         78.99782300
         28.61507300
         10.69129400
          5.63524400
          2.16989800
          0.80502800
  0.009248887900 -0.003496370670
  0.068631406900 -0.026162455400
  0.261671644000 -0.107131209000
  0.507475908000 -0.215807350000
  0.326597122000 -0.121608720000
  0.001176683380  0.347162127000
  0.018566676000  0.602263017000
 -0.003986554490  0.245658548000
    5    1
  1.455364530000
         56.07887300
         15.76607500
          5.32085000
          1.77792200
          0.52066200
  0.029835065800
  0.160419256000
  0.381267161000
  0.480057535000
  0.289329706000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Zn.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KZnF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KZnF3 with a=4.054 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: ZN(KZNF3)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.2945117000e5  7.4963575500e4  1.9433508000e4  5.8481975900e3  1.9517969300e3  7.1824481500e2  2.7946899700e2  1.0408993800e2 46.471963800000 18.681792000000  6.413400000000
  3.117880000000  2.004410000000  0.829230000000
  0.099427063500  0.107371309000  0.187606207000  0.319598078500  0.528855040000  0.715377290000  0.758061615000  1.343180495000  2.076155340000  1.116522330000  3.087679615000
  1.991087355000  1.191454925000  0.477623325000
M2
  0
COREREP
 1.0
PROJOP
    2
   11    3
  7.0630088800e2 88.554098200000 11.139874300000
      34583.90000000
       5182.18940000
       1174.33550000
        330.18773000
        101.84016000
        173.64285000
         20.24587200
          8.33751600
         14.89622500
          2.43330400
          0.95703400
 -0.005104414410 -0.002269381020  0.000519341509
 -0.038509043000 -0.016791740700  0.003536921230
 -0.174421565000 -0.077105882400  0.017238742900
 -0.462153231000 -0.200193429000  0.040807309600
 -0.434339999000 -0.192367669000  0.037345249400
 -0.022467882600 -0.125282604000  0.058615774300
  0.471334628000  0.827397477000 -0.433470306000
 -0.069461831900  0.419756440000 -0.180338170000
 -0.497453921000 -0.118669403000 -0.108613350000
  0.011092325200  0.006830488240  0.786443088000
  0.008758680230 -0.002018988450  0.432871236000
    8    2
 77.732400800000  7.573754060000
       1048.96930000
        248.23974000
         78.99782300
         28.61507300
         10.69129400
          5.63524400
          2.16989800
          0.80502800
  0.009248887900 -0.003496370670
  0.068631406900 -0.026162455400
  0.261671644000 -0.107131209000
  0.507475908000 -0.215807350000
  0.326597122000 -0.121608720000
  0.001176683380  0.347162127000
  0.018566676000  0.602263017000
 -0.003986554490  0.245658548000
    5    1
  1.455364530000
         56.07887300
         15.76607500
          5.32085000
          1.77792200
          0.52066200
  0.029835065800
  0.160419256000
  0.381267161000
  0.480057535000
  0.289329706000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KZnF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KZnF3 with a=4.054 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(KZNF3)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.7595117000e5  3.2873575500e4  6.2325080000e3  1.4999769300e3  4.2879759000e2  1.4478481500e2 53.514938300000 19.350963800000  6.085792000000  2.734997000000  1.415400000000
  0.503240000000
 -0.051092550300 -0.075669808400 -0.150405461000 -0.269622394000 -0.472870976000 -0.730286042000 -0.977053606000 -0.865442342000 -1.533645630000 -1.547266700000 -2.207422810000
 -1.119221680000
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 52.151533200000  2.816692600000
       1040.66250000
        156.68433000
         35.11987900
          9.29325100
         13.98919800
          1.16228700
          0.32317700
  0.019039174000 -0.004250443480
  0.133773702000 -0.031827997300
  0.447596097000 -0.115736617000
  0.474807380000 -0.138620699000
  0.047804653500 -0.067767911000
  0.040592882700  0.592009164000
 -0.011513720500  0.526565728000
    5    1
  1.048844170000
         19.10617300
          4.14631700
          1.07208700
          0.23985000
          0.07400000
  0.052795153900
  0.259084079000
  0.516124194000
  0.479689163000
 -0.052321102100
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.2.3. KCdF3
********************************************************************************
*           E.2.3.a. KCdF3 (a=4.302 A)
*             /K.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KCdF3.
*             /Cd.EMB-AIMP.Lopez-Moraza.11s7p6d.1s1p1d.ECP.KCdF3.
*             /Cd.EMB-AIMP.Lopez-Moraza.11s7p.1s1p.ECP.KCdF3.
*             /Cd.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KCdF3.
*             /F.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KCdF3.
********************************************************************************

/K.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KCdF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KCdF3 with a=4.302 A
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: K(KCDF3)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.2947183000e5  4.5884012000e4  1.0090183000e4  2.7261860000e3  8.6421433000e2  2.9568500000e2  1.0463621900e2 40.070630000000 16.946936000000  7.618041600000  1.944900000000
  0.907790000000  0.418460000000
  0.124174907000  0.162544576000  0.297559302000  0.521807182000  0.865322860000  1.309948930000  1.240254360000  1.951126960000  3.595554740000  1.525944090000  2.884364580000
  3.023164710000  0.498232787000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  2.6652585600e2 28.738194800000  3.267122180000
       4966.51240000
        749.95444000
        169.94574000
         45.60050400
         68.51191700
          7.15083800
          2.84798000
          4.61009100
          0.69029500
          0.26933700
  0.017803404500 -0.005125188050  0.001684520550
  0.126625014000 -0.038577316200  0.012783116200
  0.426646863000 -0.146882341000  0.049001968700
  0.445023901000 -0.189928148000  0.064031357100
  0.083406201800 -0.081286722000  0.030844090000
  0.174906676000  0.648868112000 -0.270499386000
  0.080148813600  0.467681307000 -0.219398533000
 -0.197503674000 -0.009787791770 -0.164144900000
 -0.010017200400  0.016657723400  0.768560950000
  0.003458828840 -0.001282381740  0.434185017000
    7    2
 22.797603600000  1.674876440000
        180.01807000
         41.67905100
         12.52374500
          4.06833600
          1.55218900
          0.57918200
          0.21699500
  0.031582309400 -0.009775922780
  0.192034011000 -0.061558865400
  0.506214053000 -0.172704345000
  0.436537734000 -0.146295009000
  0.023217128800  0.300393042000
  0.016002660700  0.590003683000
 -0.005300125210  0.282718963000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cd.EMB-AIMP.Lopez-Moraza.11s7p6d.1s1p1d.ECP.KCdF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KCdF3 with a=4.302 A. QR-Cd
********************************************************************************
* with orthogonality-functions
* CD-KCDF3-(11/7/6)             (A1/7/6)
********************************************************************************
     2.0   2
* s-type functions
   11    1
      21853.98590000
       2756.32757000
        551.70807700
         50.66690200
         18.72571300
         10.23501800
          4.77412300
          2.30791000
          0.92849600
          0.12085200
          0.04370400
 -0.003540828380
 -0.023152078000
 -0.076403602000
  0.387947934000
  0.305187123000
 -1.016820860000
 -0.623282728000
  0.627773903000
  0.822639849000
 -0.014554665700
 -0.003795345540
* p-type functions
    7    1
       1291.79120000
        293.44901800
         89.79891500
         13.76174900
          8.16959800
          1.80674400
          0.67123200
  0.007660774390
  0.049495883700
  0.127405943000
 -0.271294451000
 -0.245154513000
  0.720871735000
  0.411559276000
* d-type functions
    6    1
        157.04219200
         44.83258300
         15.39507900
          2.27686900
          0.86013200
          0.28984500
 -0.018613327400
 -0.098713325000
 -0.189319390000
  0.420762687000
  0.554744722000
  0.182775340000
********************************************************************************
* External AIMP: CDQR(KCDF3)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.1630124800e5  1.0207183500e5  2.9125326800e4  9.3284932900e3  3.4587011200e3  1.3010137200e3  4.4781454100e2  1.7306886300e2 79.606500000000 26.776246300000 18.370801100000
  2.857835740000  7.064209030000  1.230700000000  0.489600000000
  0.173533542500  0.169915270000  0.288114187500  0.462812228000  0.689391355000  0.978076740000  1.277273375000  2.829680045000  1.198878585000  2.768228635000  4.714390545000
  4.549998860000  0.007339571400  2.634139700000  0.258227365500
M2
  0
COREREP
 1.0
PROJOP
    2
   11    4
  1.9779910000e3  3.0130980000e2 60.037220000000  9.223337470000
      21853.98590000
       2756.32757000
        551.70807700
         50.66690200
         18.72571300
         10.23501800
          4.77412300
          2.30791000
          0.92849600
          0.12085200
          0.04370400
  0.051617605900  0.017254024100  0.007341014210 -0.003540828380
  0.264346086000  0.107191852000  0.048721795500 -0.023152078000
  0.730122229000  0.354986921000  0.162581625000 -0.076403602000
  0.262018397000 -0.815432006000 -0.694203514000  0.387947934000
 -0.417263166000 -0.304985816000 -0.320389097000  0.305187123000
  0.423280501000  0.042725473400  0.860515626000 -1.016820860000
 -0.245812589000 -0.016789611600  0.541168359000 -0.623282728000
  0.113446427000  0.006642562470  0.034547288700  0.627773903000
 -0.028319824500 -0.001745761080  0.003732778880  0.822639849000
  0.005065107370  0.000303647441 -0.000754765512 -0.014554665700
 -0.002361354750 -0.000141144317  0.000352313316 -0.003795345540
    7    3
  2.7020139500e2 49.542333000000  6.055054710000
       1291.79120000
        293.44901800
         89.79891500
         13.76174900
          8.16959800
          1.80674400
          0.67123200
  0.056941599600  0.018957587800  0.007660774390
  0.185063085000  0.121288028000  0.049495883700
  0.727393624000  0.306349089000  0.127405943000
  0.449699937000 -0.285878580000 -0.271294451000
 -0.268313768000 -0.684509613000 -0.245154513000
  0.050488908200 -0.124249961000  0.720871735000
 -0.020589228100  0.033828815000  0.411559276000
    6    2
 33.096398000000  1.264135230000
        157.04219200
         44.83258300
         15.39507900
          2.27686900
          0.86013200
          0.28984500
  0.081946285100 -0.018613327400
  0.186218676000 -0.098713325000
  0.769124249000 -0.189319390000
  0.290349855000  0.420762687000
 -0.125396975000  0.554744722000
  0.039754037100  0.182775340000
Spectral Representation Operator
Core primitive basis
Exchange
1stOrder Relativistic Correction
CDQR(KCDF3)
End of Spectral Representation Operator

/Cd.EMB-AIMP.Lopez-Moraza.11s7p.1s1p.ECP.KCdF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KCdF3 with a=4.302 A
********************************************************************************
* with orthogonality-functions
* CD-KCDF3-(11/7)               (A1/7)
********************************************************************************
     2.0   1
* s-type functions
   11    1
      21853.98590000
       2756.32757000
        551.70807700
         50.66690200
         18.72571300
         10.23501800
          4.77412300
          2.30791000
          0.92849600
          0.12085200
          0.04370400
 -0.003540828380
 -0.023152078000
 -0.076403602000
  0.387947934000
  0.305187123000
 -1.016820860000
 -0.623282728000
  0.627773903000
  0.822639849000
 -0.014554665700
 -0.003795345540
* p-type functions
    7    1
       1291.79120000
        293.44901800
         89.79891500
         13.76174900
          8.16959800
          1.80674400
          0.67123200
  0.007660774390
  0.049495883700
  0.127405943000
 -0.271294451000
 -0.245154513000
  0.720871735000
  0.411559276000
********************************************************************************
* External AIMP: CDQR(KCDF3)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.1630124800e5  1.0207183500e5  2.9125326800e4  9.3284932900e3  3.4587011200e3  1.3010137200e3  4.4781454100e2  1.7306886300e2 79.606500000000 26.776246300000 18.370801100000
  2.857835740000  7.064209030000  1.230700000000  0.489600000000
  0.173533542500  0.169915270000  0.288114187500  0.462812228000  0.689391355000  0.978076740000  1.277273375000  2.829680045000  1.198878585000  2.768228635000  4.714390545000
  4.549998860000  0.007339571400  2.634139700000  0.258227365500
M2
  0
COREREP
 1.0
PROJOP
    2
   11    4
  1.9779910000e3  3.0130980000e2 60.037220000000  9.223337470000
      21853.98590000
       2756.32757000
        551.70807700
         50.66690200
         18.72571300
         10.23501800
          4.77412300
          2.30791000
          0.92849600
          0.12085200
          0.04370400
  0.051617605900  0.017254024100  0.007341014210 -0.003540828380
  0.264346086000  0.107191852000  0.048721795500 -0.023152078000
  0.730122229000  0.354986921000  0.162581625000 -0.076403602000
  0.262018397000 -0.815432006000 -0.694203514000  0.387947934000
 -0.417263166000 -0.304985816000 -0.320389097000  0.305187123000
  0.423280501000  0.042725473400  0.860515626000 -1.016820860000
 -0.245812589000 -0.016789611600  0.541168359000 -0.623282728000
  0.113446427000  0.006642562470  0.034547288700  0.627773903000
 -0.028319824500 -0.001745761080  0.003732778880  0.822639849000
  0.005065107370  0.000303647441 -0.000754765512 -0.014554665700
 -0.002361354750 -0.000141144317  0.000352313316 -0.003795345540
    7    3
  2.7020139500e2 49.542333000000  6.055054710000
       1291.79120000
        293.44901800
         89.79891500
         13.76174900
          8.16959800
          1.80674400
          0.67123200
  0.056941599600  0.018957587800  0.007660774390
  0.185063085000  0.121288028000  0.049495883700
  0.727393624000  0.306349089000  0.127405943000
  0.449699937000 -0.285878580000 -0.271294451000
 -0.268313768000 -0.684509613000 -0.245154513000
  0.050488908200 -0.124249961000  0.720871735000
 -0.020589228100  0.033828815000  0.411559276000
    6    2
 33.096398000000  1.264135230000
        157.04219200
         44.83258300
         15.39507900
          2.27686900
          0.86013200
          0.28984500
  0.081946285100 -0.018613327400
  0.186218676000 -0.098713325000
  0.769124249000 -0.189319390000
  0.290349855000  0.420762687000
 -0.125396975000  0.554744722000
  0.039754037100  0.182775340000
Spectral Representation Operator
Core primitive basis
Exchange
1stOrder Relativistic Correction
CDQR(KCDF3)
End of Spectral Representation Operator

/Cd.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KCdF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KCdF3 with a=4.302 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: CDQR(KCDF3)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.1630124800e5  1.0207183500e5  2.9125326800e4  9.3284932900e3  3.4587011200e3  1.3010137200e3  4.4781454100e2  1.7306886300e2 79.606500000000 26.776246300000 18.370801100000
  2.857835740000  7.064209030000  1.230700000000  0.489600000000
  0.173533542500  0.169915270000  0.288114187500  0.462812228000  0.689391355000  0.978076740000  1.277273375000  2.829680045000  1.198878585000  2.768228635000  4.714390545000
  4.549998860000  0.007339571400  2.634139700000  0.258227365500
M2
  0
COREREP
 1.0
PROJOP
    2
   11    4
  1.9779910000e3  3.0130980000e2 60.037220000000  9.223337470000
      21853.98590000
       2756.32757000
        551.70807700
         50.66690200
         18.72571300
         10.23501800
          4.77412300
          2.30791000
          0.92849600
          0.12085200
          0.04370400
  0.051617605900  0.017254024100  0.007341014210 -0.003540828380
  0.264346086000  0.107191852000  0.048721795500 -0.023152078000
  0.730122229000  0.354986921000  0.162581625000 -0.076403602000
  0.262018397000 -0.815432006000 -0.694203514000  0.387947934000
 -0.417263166000 -0.304985816000 -0.320389097000  0.305187123000
  0.423280501000  0.042725473400  0.860515626000 -1.016820860000
 -0.245812589000 -0.016789611600  0.541168359000 -0.623282728000
  0.113446427000  0.006642562470  0.034547288700  0.627773903000
 -0.028319824500 -0.001745761080  0.003732778880  0.822639849000
  0.005065107370  0.000303647441 -0.000754765512 -0.014554665700
 -0.002361354750 -0.000141144317  0.000352313316 -0.003795345540
    7    3
  2.7020139500e2 49.542333000000  6.055054710000
       1291.79120000
        293.44901800
         89.79891500
         13.76174900
          8.16959800
          1.80674400
          0.67123200
  0.056941599600  0.018957587800  0.007660774390
  0.185063085000  0.121288028000  0.049495883700
  0.727393624000  0.306349089000  0.127405943000
  0.449699937000 -0.285878580000 -0.271294451000
 -0.268313768000 -0.684509613000 -0.245154513000
  0.050488908200 -0.124249961000  0.720871735000
 -0.020589228100  0.033828815000  0.411559276000
    6    2
 33.096398000000  1.264135230000
        157.04219200
         44.83258300
         15.39507900
          2.27686900
          0.86013200
          0.28984500
  0.081946285100 -0.018613327400
  0.186218676000 -0.098713325000
  0.769124249000 -0.189319390000
  0.290349855000  0.420762687000
 -0.125396975000  0.554744722000
  0.039754037100  0.182775340000
Spectral Representation Operator
Core primitive basis
Exchange
1stOrder Relativistic Correction
CDQR(KCDF3)
End of Spectral Representation Operator

/F.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.KCdF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on KCdF3 with a=4.302 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(KCDF3)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.7825117000e5  3.3403575500e4  6.3755080000e3  1.5449769300e3  4.4579759000e2  1.5168481500e2 55.774938300000 20.140963800000  6.291792000000  2.835997000000  1.412400000000
  0.489140000000
 -0.050747293800 -0.074684184000 -0.147931058000 -0.263638325000 -0.458063656000 -0.712880827000 -0.978808867000 -0.871782894000 -1.475575360000 -1.579292830000 -2.273357130000
 -1.113237570000
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 52.131136800000  2.783006390000
       1040.66250000
        156.68433000
         35.11987900
          9.29325100
         13.98919800
          1.16228700
          0.32317700
  0.019039350900 -0.004254862390
  0.133775509000 -0.031864606800
  0.447597779000 -0.115845186000
  0.474773796000 -0.138614789000
  0.047841071000 -0.068003422500
  0.040581982500  0.593659869000
 -0.011531014400  0.524990134000
    5    1
  1.008656520000
         19.10617300
          4.14631700
          1.07208700
          0.23985000
          0.07400000
  0.052618954100
  0.258236133000
  0.514505477000
  0.473626402000
 -0.034295176300
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.2.4. CsCaF3
********************************************************************************
*           E.2.4.a. CsCaF3 (a=4.526 A)
*             /Cs.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.CsCaF3.
*             /Ca.EMB-AIMP.Lopez-Moraza.10s7p.1s1p.ECP.CsCaF3.
*             /Ca.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.CsCaF3.
*             /F.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.CsCaF3.
********************************************************************************

/Cs.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.CsCaF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on CsCaF3 with a=4.526 A. QR-Cs
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: CSQR(CSCAF)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  4.1220000000e5  6.6070000000e4  1.6111000000e4  4.8290000000e3  1.5932000000e3  4.9900000000e2  2.0290000000e2 59.380000000000 27.750000000000  0.716600000000  7.896000000000
  4.315000000000  1.866000000000  0.390400000000  0.249900000000
  0.496447219000  0.591456561000  1.032530330000  1.674174900000  2.262872790000  3.270295760000  6.074701880000  4.559035650000 11.440023000000  4.290495370000  1.736648090000
 11.598700200000  2.750512620000  2.158963930000  0.063141643000
M2
  0
COREREP
 1.0
PROJOP
    2
   11    5
  2.6635715400e3  4.2580163100e2 92.049986000000 19.039925700000  2.304883130000
      33313.72970000
       3974.35337000
        773.54310200
         68.95959800
         23.82252000
         14.68367700
          7.10033800
          4.19897800
          1.83681100
          0.36284900
          0.15683700
  0.051400731200  0.017713712500  0.007728950380  0.003475158890  0.001220330110
  0.254359876000  0.106434067000  0.050184496600  0.023581409400  0.008535884950
  0.736676609000  0.358208730000  0.168004100000  0.077418281600  0.029113208800
  0.288025410000 -0.825579232000 -0.739489961000 -0.390942718000 -0.144417101000
 -0.658799653000 -0.345777230000 -0.356661891000 -0.274413312000 -0.105545230000
  0.786232407000  0.112218171000  0.926930018000  0.875777728000  0.344302832000
 -0.543594989000 -0.040730478100  0.521270069000  0.686329324000  0.367122126000
  0.304811809000  0.016739822900  0.050760239600 -0.429459911000 -0.291460270000
 -0.067898907500 -0.003297788500  0.008617960800 -1.085791330000 -0.844864275000
  0.013543222300  0.000210734504 -0.000991882933 -0.073917318100  0.908808822000
 -0.006034416160 -0.000159447899  0.000496694119  0.023720688700  0.377184602000
   10    4
  3.8190070700e2 77.532204200000 14.190449200000  1.065736470000
       1835.93935000
        412.74490500
        125.93392200
         18.54755600
          8.38114900
          4.59232200
          2.15034400
          0.46155400
          0.20622800
          0.09242500
  0.056520125900  0.021686907800  0.009272737970 -0.002908245600
  0.171899236000  0.111813192000  0.053187301200 -0.019020320500
  0.737178559000  0.339659462000  0.151122413000 -0.050384998600
  0.444446938000 -0.562858147000 -0.442982829000  0.152810004000
 -0.460759008000 -0.485193687000 -0.216995759000  0.111759265000
  0.324536850000 -0.003463737390  0.271144789000 -0.203143369000
 -0.106214012000 -0.023768951100  0.842773073000 -0.358664955000
  0.032403013300  0.005853288530  0.149950657000  0.502329316000
 -0.024513584900 -0.004775433730 -0.078570320700  0.594557766000
  0.008754269300  0.001732362160  0.025020455400  0.023162361000
    7    2
 56.100838900000  6.874997900000
        214.30000000
         64.91000000
         24.62000000
         10.31500000
          4.14400000
          1.72500000
          0.66840000
  0.056355186000  0.025265276800
  0.259335436000  0.114380454000
  0.487532354000  0.219610461000
  0.361650038000  0.038915689900
  0.064477717300 -0.462584440000
 -0.002844159930 -0.526167083000
  0.000709728006 -0.150030084000
Spectral Representation Operator
Core primitive basis
Exchange
1stOrder Relativistic Correction
CSQR(CSCAF)/OK
End of Spectral Representation Operator

/Ca.EMB-AIMP.Lopez-Moraza.10s7p.1s1p.ECP.CsCaF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on CsCaF3 with a=4.526 A
********************************************************************************
* with orthogonality-functions
* CA-CSCAF3-(10/7)              (A0/7)
********************************************************************************
     2.0   1
* s-type functions
   10    1
       5608.58600000
        845.19522000
        190.98577000
         51.09832300
         76.40198800
          8.05127500
         32.41457200
          5.29422400
          0.82769500
          0.34123900
  0.001785892970
  0.013166320700
  0.056191689200
  0.162234583000
 -0.009236820030
 -0.086549601000
 -0.077120530000
 -0.544857493000
  0.729223384000
  0.448879665000
* p-type functions
    7    1
        207.90180000
         48.16632700
         14.51329700
          4.74474600
          1.85174300
          0.71150600
          0.28360700
 -0.010081721400
 -0.064369152800
 -0.185326164000
 -0.158134029000
  0.308626166000
  0.617892717000
  0.236866030000
********************************************************************************
* External AIMP: CA(CSCAF)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.3835117000e5  4.8123575500e4  1.0679508000e4  2.8734975900e3  9.0227693200e2  3.0348481500e2 99.038997000000 34.314938300000 14.650963800000  3.962792000000  1.608400000000
  0.738400000000
  0.065074394500  0.083641952500  0.154665279000  0.272351728000  0.457941231000  0.690752250000  0.735016230000  1.367217635000  1.761798845000  0.676026015000  2.062595315000
  0.672919125000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  2.9794718700e2 33.172120200000  4.063116320000
       5608.58600000
        845.19522000
        190.98577000
         51.09832300
         76.40198800
          8.05127500
         32.41457200
          5.29422400
          0.82769500
          0.34123900
  0.017374569200 -0.005125680330  0.001785892970
  0.125182098000 -0.037736114300  0.013166320700
  0.416551560000 -0.156965974000  0.056191689200
  0.318720461000 -0.408887505000  0.162234583000
  0.150684894000  0.015121231500 -0.009236820030
  0.070165721600  0.195497652000 -0.086549601000
  0.089533998400  0.179397541000 -0.077120530000
 -0.040939906000  0.785111642000 -0.544857493000
  0.004776455000  0.137097052000  0.729223384000
 -0.002262694310 -0.051352994900  0.448879665000
    7    2
 26.824160100000  2.270593790000
        207.90180000
         48.16632700
         14.51329700
          4.74474600
          1.85174300
          0.71150600
          0.28360700
  0.030281988900 -0.010081721400
  0.186853293000 -0.064369152800
  0.502585288000 -0.185326164000
  0.442543608000 -0.158134029000
  0.023295979800  0.308626166000
  0.018797879100  0.617892717000
 -0.006490516870  0.236866030000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ca.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.CsCaF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on CsCaF3 with a=4.526 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: CA(CSCAF)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.3835117000e5  4.8123575500e4  1.0679508000e4  2.8734975900e3  9.0227693200e2  3.0348481500e2 99.038997000000 34.314938300000 14.650963800000  3.962792000000  1.608400000000
  0.738400000000
  0.065074394500  0.083641952500  0.154665279000  0.272351728000  0.457941231000  0.690752250000  0.735016230000  1.367217635000  1.761798845000  0.676026015000  2.062595315000
  0.672919125000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  2.9794718700e2 33.172120200000  4.063116320000
       5608.58600000
        845.19522000
        190.98577000
         51.09832300
         76.40198800
          8.05127500
         32.41457200
          5.29422400
          0.82769500
          0.34123900
  0.017374569200 -0.005125680330  0.001785892970
  0.125182098000 -0.037736114300  0.013166320700
  0.416551560000 -0.156965974000  0.056191689200
  0.318720461000 -0.408887505000  0.162234583000
  0.150684894000  0.015121231500 -0.009236820030
  0.070165721600  0.195497652000 -0.086549601000
  0.089533998400  0.179397541000 -0.077120530000
 -0.040939906000  0.785111642000 -0.544857493000
  0.004776455000  0.137097052000  0.729223384000
 -0.002262694310 -0.051352994900  0.448879665000
    7    2
 26.824160100000  2.270593790000
        207.90180000
         48.16632700
         14.51329700
          4.74474600
          1.85174300
          0.71150600
          0.28360700
  0.030281988900 -0.010081721400
  0.186853293000 -0.064369152800
  0.502585288000 -0.185326164000
  0.442543608000 -0.158134029000
  0.023295979800  0.308626166000
  0.018797879100  0.617892717000
 -0.006490516870  0.236866030000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Lopez-Moraza.0s.0s.ECP.CsCaF3.
S. Lopez-Moraza, J.L. Pascual, Z.Barandiaran. J. Chem. Phys. 103 (1995) 2117-2125. doi:10.1063/1.469688
From a SCEI calculation on CsCaF3 with a=4.526 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(CSCAF)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.7545117000e5  3.2773575500e4  6.2185080000e3  1.5019769300e3  4.3149759000e2  1.4598481500e2 53.704938300000 19.260963800000  6.000792000000  2.649997000000  1.390400000000
  0.489240000000
 -0.051072206100 -0.075676299300 -0.150118320000 -0.268038470000 -0.468688417000 -0.727568240000 -0.981520178000 -0.868537707000 -1.564140140000 -1.575198220000 -2.138568260000
 -1.130873540000
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 52.101682400000  2.747529230000
       1040.66250000
        156.68433000
         35.11987900
          9.29325100
         13.98919800
          1.16228700
          0.32317700
  0.019039452200 -0.004262305450
  0.133776392000 -0.031911704900
  0.447599062000 -0.116103572000
  0.474755756000 -0.139312996000
  0.047861607700 -0.067743961800
  0.040564814200  0.596535649000
 -0.011521656100  0.522319059000
    5    1
  0.969020472000
         19.10617300
          4.14631700
          1.07208700
          0.23985000
          0.07400000
  0.052416137400
  0.257655963000
  0.511468513000
  0.477634062000
 -0.033852388500
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.2.5. CsCaBr3
********************************************************************************
*           E.2.5.a. CsCaBr3 (a=5.690 A)
*             /Cs.EMB-AIMP.Sanchez-Sanz.0s.0s.ECP.CsCaBr3.
*             /Ca.EMB-AIMP.Sanchez-Sanz.10s7p.1s1p.ECP.CsCaBr3.
*             /Ca.EMB-AIMP.Sanchez-Sanz.0s.0s.ECP.CsCaBr3.
*             /Br.EMB-AIMP.Sanchez-Sanz.0s.0s.ECP.CsCaBr3.
********************************************************************************
*   Structure reference pending
*   Pm3m, a=5.69 A
********************************************************************************

/Cs.EMB-AIMP.Sanchez-Sanz.0s.0s.ECP.CsCaBr3.
G. Sanchez-Sanz, L. Seijo, Z. Barandiaran. J. Chem. Phys. 131 (2009) 024505. doi:10.1063/1.3171567
From a SCEI calculation on CsCaBr3 Pm3m a=5.69 A
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  4.5161000000e5  7.8113000000e4  2.0336000000e4  6.2064000000e3  2.0253000000e3  6.5306000000e2  2.3979000000e2 93.149000000000 35.927000000000 21.772300000000  4.762200000000
  2.388000000000  0.794660000000  0.416250000000  0.233230000000
  0.465374408000  0.518928991400  0.877154742300  1.501139260000  2.174522551000  2.725452804000  6.145525402000  2.949226328000  9.207588103000  5.262756161000 11.401901880000
  3.795522841000  4.186782429000  2.595894947000  0.192229154100
M2
  0
COREREP
 1.0
PROJOP
    2
   11    5
  2.6635715400e3  4.2580163100e2 92.049986000000 19.039925700000  2.441728423000
      33313.72970000
       3974.35337000
        773.54310200
         68.95959780
         23.82251990
         14.68367750
          7.10033807
          4.19897764
          1.83681080
       3628.48866e-4
       1568.36894e-4
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001221934920
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008546529798
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029154668823
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.144716547248
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104344741809
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.341590531739
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.374313011458
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.300773023255
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.839059160130
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.903165839959
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.381371058598
   10    4
  3.8190070700e2 77.532204200000 14.190449200000  1.209342848000
       1835.93935000
        412.74490500
        125.93392200
         18.54755560
          8.38114931
          4.59232246
          2.15034415
       4615.53695e-4
       2062.27972e-4
       9242.51022e-5
  0.056520125787  0.021686907394  0.009272738120  0.002895149155
  0.171899236514  0.111813193543  0.053187300783  0.018928063862
  0.737178558440  0.339659458519  0.151122413823  0.050169822448
  0.444446974330 -0.562858154294 -0.442982860886 -0.152516438804
 -0.460759081787 -0.485193638558 -0.216995649630 -0.108831624217
  0.324536875925 -0.003463784316  0.271144558213  0.197335776037
 -0.106213989013 -0.023768939091  0.842773248291  0.362132180188
  0.032403023471  0.005853287609  0.149950755473 -0.514638382701
 -0.024513628795 -0.004775439839 -0.078570531972 -0.553205213039
  0.008754292582  0.001732365898  0.025020547459 -0.063788687702
    7    2
 56.100838900000  6.874997900000
        214.30000000
         64.91000000
         24.62000000
         10.31500000
          4.14400000
          1.72500000
          0.66840000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ca.EMB-AIMP.Sanchez-Sanz.10s7p.1s1p.ECP.CsCaBr3.
G. Sanchez-Sanz, L. Seijo, Z. Barandiaran. J. Chem. Phys. 131 (2009) 024505. doi:10.1063/1.3171567
From a SCEI calculation on CsCaBr3 Pm3m a=5.69 A
     2.0   1
* s-type functions
   10    1
       5608.58600000
        845.19522000
        190.98577000
         51.09832300
         76.40198800
          8.05127500
         32.41457200
          5.29422400
          0.82769500
          0.34123900
  0.001783470309
  0.013153044943
  0.056080771188
  0.160973431185
 -0.008755649612
 -0.088721445265
 -0.076109580278
 -0.541376901881
  0.724108938160
  0.453258040657
* p-type functions
    7    1
        207.90180000
         48.16632700
         14.51329700
          4.74474600
          1.85174300
          0.71150600
          0.28360700
 -0.010044216440
 -0.064241566951
 -0.184417378383
 -0.159329812725
  0.313537148145
  0.601990945182
  0.252064110668
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2052117000e5  4.3615575500e4  9.3835080000e3  2.4611975900e3  7.6668693200e2  2.6233481500e2 82.583997000000 29.040938300000 12.947963800000  2.981192000000  1.391500000000
  0.663950000000
  0.067546169710  0.089867808030  0.168538926200  0.301576659900  0.492229139900  0.701545932500  0.805261872200  1.544159787000  1.508792307000  1.001805695000  1.840990614000
  0.477685088000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  2.9828699960e2 33.505368020000  4.384204839000
       5608.58600000
        845.19522000
        190.98577000
         51.09832300
         76.40198800
          8.05127500
         32.41457200
          5.29422400
          0.82769500
          0.34123900
  0.017374614382 -0.005125974868  0.001783470309
  0.125182443054 -0.037738287275  0.013153044943
  0.416553163873 -0.156976187503  0.056080771188
  0.318725897111 -0.408928879109  0.160973431185
  0.150684681403  0.015125925867 -0.008755649612
  0.070162064678  0.195589420512 -0.088721445265
  0.089527328934  0.179428282809 -0.076109580278
 -0.040938149145  0.785086167271 -0.541376901881
  0.004777285945  0.136952528356  0.724108938160
 -0.002262921266 -0.051285913787  0.453258040657
    7    2
 27.158018980000  2.593279319000
        207.90180000
         48.16632700
         14.51329700
          4.74474600
          1.85174300
          0.71150600
          0.28360700
  0.030284433081 -0.010044216440
  0.186870702697 -0.064241566951
  0.502628005078 -0.184417378383
  0.442515138267 -0.159329812725
  0.023274523361  0.313537148145
  0.018705624877  0.601990945182
 -0.006410867087  0.252064110668
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ca.EMB-AIMP.Sanchez-Sanz.0s.0s.ECP.CsCaBr3.
G. Sanchez-Sanz, L. Seijo, Z. Barandiaran. J. Chem. Phys. 131 (2009) 024505. doi:10.1063/1.3171567
From a SCEI calculation on CsCaBr3 Pm3m a=5.69 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2052117000e5  4.3615575500e4  9.3835080000e3  2.4611975900e3  7.6668693200e2  2.6233481500e2 82.583997000000 29.040938300000 12.947963800000  2.981192000000  1.391500000000
  0.663950000000
  0.067546169710  0.089867808030  0.168538926200  0.301576659900  0.492229139900  0.701545932500  0.805261872200  1.544159787000  1.508792307000  1.001805695000  1.840990614000
  0.477685088000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  2.9828699960e2 33.505368020000  4.384204839000
       5608.58600000
        845.19522000
        190.98577000
         51.09832300
         76.40198800
          8.05127500
         32.41457200
          5.29422400
          0.82769500
          0.34123900
  0.017374614382 -0.005125974868  0.001783470309
  0.125182443054 -0.037738287275  0.013153044943
  0.416553163873 -0.156976187503  0.056080771188
  0.318725897111 -0.408928879109  0.160973431185
  0.150684681403  0.015125925867 -0.008755649612
  0.070162064678  0.195589420512 -0.088721445265
  0.089527328934  0.179428282809 -0.076109580278
 -0.040938149145  0.785086167271 -0.541376901881
  0.004777285945  0.136952528356  0.724108938160
 -0.002262921266 -0.051285913787  0.453258040657
    7    2
 27.158018980000  2.593279319000
        207.90180000
         48.16632700
         14.51329700
          4.74474600
          1.85174300
          0.71150600
          0.28360700
  0.030284433081 -0.010044216440
  0.186870702697 -0.064241566951
  0.502628005078 -0.184417378383
  0.442515138267 -0.159329812725
  0.023274523361  0.313537148145
  0.018705624877  0.601990945182
 -0.006410867087  0.252064110668
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Br.EMB-AIMP.Sanchez-Sanz.0s.0s.ECP.CsCaBr3.
G. Sanchez-Sanz, L. Seijo, Z. Barandiaran. J. Chem. Phys. 131 (2009) 024505. doi:10.1063/1.3171567
From a SCEI calculation on CsCaBr3 Pm3m a=5.69 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 16
  4.8519512000e5  9.7696449900e4  2.8062925400e4  9.1982583400e3  3.2074019500e3  1.2778248130e3  5.2907753400e2  1.8586343700e2 76.170730400000 33.677657700000 11.660959000000
  5.750448440000  2.590443750000  0.915675000000  0.422190000000  0.200780000000
 -0.227399153500 -0.216372637800 -0.367439334900 -0.595881157500 -0.969244906600 -1.278255602000 -1.648504348000 -2.447568515000 -5.023998359000 -2.087232568000 -5.829741718000
 -6.986034482000 -1.861257101000 -2.850369080000 -3.161661780000 -0.449039256400
M2
  0
COREREP
 1.0
PROJOP
    2
    9    4
  9.9759451000e2  1.3433011000e2 20.404000000000  1.838812839000
       8934.74771000
       1227.84330000
        261.00912400
         25.08448110
          9.67580781
          5.45049062
          2.27282624
       3906.78612e-4
       1475.41385e-4
  0.055411250703  0.017323643715  0.006943508078 -0.001903664520
  0.287394342374  0.110580112004  0.044822562889 -0.013198500677
  0.711687988821  0.342704100935  0.145575233374 -0.042861000622
  0.223923492556 -0.796802231473 -0.593705121134  0.185400309066
 -0.301211162341 -0.303614658677 -0.326800585707  0.131766935377
  0.228347648037  0.010633033899  0.546475683468 -0.242643130017
 -0.061768634098 -0.005676175167  0.809540390005 -0.503889151052
  0.013508956280  0.000652207553  0.052355309451  0.701208144751
 -0.005939876055 -0.000281080412 -0.017430546870  0.493892732881
    8    3
  1.1814592000e2 15.107869000000  0.699396857000
        588.01724000
        135.47904600
         41.42742360
          6.04008628
          2.72830922
       5785.60434e-4
       2350.97127e-4
       9001.08952e-5
  0.063113809040  0.019089373708 -0.004362017781
  0.195460232460  0.111752143574 -0.027172904012
  0.742544265496  0.276621199608 -0.065919836118
  0.309845603373 -0.423549838824  0.145410486019
 -0.152720424014 -0.589981827210  0.161005837582
  0.053585306832 -0.111467259157 -0.300555169294
 -0.036476858479  0.050161888139 -0.627804158199
  0.012398995611 -0.015235201284 -0.197149021799
    6    1
  6.315109000000
         96.24691000
         29.06600500
         10.97346000
          4.42568910
          1.80459100
          0.68350000
  0.026631030892
  0.134401869453
  0.326604458671
  0.429958068251
  0.302954728768
  0.074571884697
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.2.6. CaFeO3
********************************************************************************
*           E.2.6.a. CaFeO3
*             /Fe.EMB-AIMP.Sadoc.0s.0s.0e-Fe(CaFeO3).
*             /Ca.EMB-AIMP.Sadoc.0s.0s.0e-Ca(CaFeO3).
*             /O.EMB-AIMP.Sadoc.0s.0s.0e-O(CaFeO3).
*             /O.EMB-AIMP.Sadoc.11s6p.1s1p.0e-O(CaFeO3).
*             /Fe.EMB-AIMP.Sadoc.22s16p.1s1p.0e-Fe(CaFeO3).
********************************************************************************
*   HT phase of CaFeO3
*   P.M. Woodward, D.E. Cox, E. Moshopoulou, A.W. Sleight, S. Morimoto. Phys. Rev. B 62 (2000) 844-855. doi:10.1103/physrevb.62.844
********************************************************************************

/Fe.EMB-AIMP.Sadoc.0s.0s.0e-Fe(CaFeO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the HT phase of CaFeO3
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7454000000e5  5.7264000000e4  1.3468500000e4  3.7447000000e3  1.1859000000e3  4.1429000000e2  1.4085700000e2 52.178000000000 23.885000000000  5.683000000000  2.499930000000
  0.864430000000
  0.043359800780  0.052307833760  0.095213615360  0.168584007500  0.278894523000  0.369512625300  0.433895580300  0.856560121700  0.776006476900  0.934724564700  1.288960816000
  0.201980035100
M2
  0
COREREP
 1.0
PROJOP
    2
   22    3
  5.2431529370e2 65.577779600000  9.587748988000
      61132.62000000
       9179.34200000
       2090.85700000
        589.24790000
        188.75430000
         64.44629000
       1259.98000000
        299.87610000
         96.84917000
         36.31020000
         14.72996000
          6.06607500
         50.43485000
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          3.05342000
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          1.95031600
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 -0.001089714445 -0.033538048220  0.014724739626
 -0.004278093024 -0.131666502935  0.057807626743
  0.001061273456  0.032662722355 -0.014340431471
  0.020981399032  0.645742722706 -0.283510638273
  0.015219656869  0.468414077158 -0.205655239032
  0.010889447212  0.001716872873  0.004773260479
 -0.041455880758 -0.010671457089 -0.082895049641
 -0.012555517276  0.019139938537 -0.287463694475
 -0.004031729592 -0.079968225355  0.303606464377
  0.002526307369 -0.076826210294  0.735634674708
  0.000913267330 -0.009746973421  0.161013004628
 -0.000111478031  0.131025762326  0.102326127696
 -0.002145103937  0.032073530896  0.047921025147
 -0.000048511669 -0.000179391843 -0.024781025078
  0.000015812665  0.000008680595  0.003775354429
   16    2
 56.531566670000  6.664043020000
       1259.98000000
        299.87610000
         96.84917000
         36.31020000
         14.72996000
          6.06607500
         50.43485000
         16.83929000
          7.19208600
          3.05342000
          1.27364300
          0.50409100
          1.95031600
          0.73672100
          0.11417700
          0.04114800
  0.004014248696 -0.001555327145
  0.031338958393 -0.012142330078
  0.136363889273 -0.052834409287
  0.347531356968 -0.134651585928
  0.460214286275 -0.178310769004
  0.203607303636 -0.078887978859
  0.000344105404 -0.007744607197
 -0.000676307450 -0.033389233587
  0.005426983306  0.073243602658
 -0.019885199545  0.435706093014
 -0.021162051074  0.488361838672
 -0.002933445910  0.109798962991
  0.038334743732  0.052750024200
  0.009094353726  0.045505874739
  0.000033794289 -0.015873816568
 -0.000021944136  0.002630015887
    4    1    4
  1.214415712000
         23.14994000
          6.12236800
          1.84660100
          0.50436100
 -0.071006751102
 -0.310436729279
 -0.561353930261
 -0.363110506770
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ca.EMB-AIMP.Sadoc.0s.0s.0e-Ca(CaFeO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the HT phase of CaFeO3
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.3034117000e5  4.5341575500e4  9.8255080000e3  2.6073475900e3  8.0112693200e2  2.7396381500e2 92.718997000000 32.523238300000 14.255763800000  3.194332000000  1.603070000000
  0.656621000000
  0.067774447130  0.089557735300  0.166446021400  0.297054832400  0.501140162100  0.687364893400  0.760477832300  1.502593814000  1.677405101000  0.897199783100  2.052461435000
  0.300523943000
M2
  0
COREREP
 1.0
PROJOP
    1
   22    3
  2.9825056390e2 33.189243260000  4.016882770000
      35264.86000000
       5295.50300000
       1206.02000000
        339.68390000
        108.62640000
         36.92103000
        706.30960000
        167.81870000
         53.82558000
         20.01638000
          7.97027900
          3.21205900
         14.19518000
          4.88082800
          2.16039000
          0.98789900
          0.44951700
          0.18738700
          1.03227100
          0.38117100
          0.06513100
          0.02601000
  0.001808769690  0.000528560094 -0.000180309406
  0.013848712729  0.004046881671 -0.001380525770
  0.068183306439  0.019924579165 -0.006796935819
  0.235004214984  0.068673115608 -0.023426680955
  0.480806490788  0.140501648999 -0.047929779734
  0.342087270469  0.099965009881 -0.034101385562
 -0.000051570454  0.002514793842 -0.001030428161
 -0.000682802811  0.033296358172 -0.013643068694
 -0.002582954640  0.125955812552 -0.051609962691
  0.000909342033 -0.044343370502  0.018169544151
  0.012906136804 -0.629357915453  0.257877249789
  0.009452726035 -0.460954973835  0.188874721379
 -0.003838145436  0.001170037006  0.011772347453
  0.008063280281 -0.010926188542  0.222583436864
 -0.028307161615  0.013730746398  0.041038878487
 -0.002930686141 -0.013167404488 -0.370924645410
 -0.078400053548 -0.036854289162 -0.647652527116
 -0.008619101681 -0.005851230581 -0.095781926420
  0.029979073431 -0.003711375928 -0.212792292309
  0.072221657937  0.038001918489  0.056388733001
  0.001647819235  0.001100397161  0.026390959233
 -0.000429652188 -0.000364682080 -0.006994087715
   16    2
 26.809022170000  2.211403872000
        706.30960000
        167.81870000
         53.82558000
         20.01638000
          7.97027900
          3.21205900
         14.19518000
          4.88082800
          2.16039000
          0.98789900
          0.44951700
          0.18738700
          1.03227100
          0.38117100
          0.06513100
          0.02601000
 -0.004010683222  0.001866415296
 -0.030931303361  0.014394220268
 -0.133405692724  0.062081797966
 -0.335986809932  0.156355136182
 -0.462012227820  0.215002442546
 -0.225209264714  0.104803594108
  0.000552394321  0.018232811765
 -0.001514250952  0.016930187275
  0.000503040335 -0.299523620302
 -0.232513372282 -1.461204844509
  0.068642400786  0.212332148624
  0.005282769949 -0.090953181324
  0.208119879452  0.782113414541
 -0.056519431455 -0.366711521646
 -0.000904240011  0.038910854859
  0.000248235530 -0.011964657271
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Sadoc.0s.0s.0e-O(CaFeO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the HT phase of CaFeO3
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.4971000000e5  2.6795000000e4  4.7236000000e3  1.0828000000e3  3.0290000000e2 96.670000000000 33.999000000000 11.044000000000  3.466800000000  1.302200000000  0.515220000000
  0.068197000000
 -0.023912870040 -0.038203564390 -0.078027104370 -0.141487416600 -0.252098549800 -0.413436155900 -0.494949560600 -0.462778392700 -0.923110353500 -1.281818414000 -0.885162321200
 -0.005015296351
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
 40.470942060000  2.070696924000
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
  0.000507933544 -0.000106962886
  0.003927951997 -0.000829834128
  0.020235470101 -0.004304442567
  0.079160131721 -0.017344879306
  0.230610813220 -0.054251291688
  0.432817978738 -0.125619728202
  0.349970706443 -0.161796026388
  0.043982855978  0.143832800138
 -0.008931637819  0.466885825100
  0.003813518356  0.559983866488
 -0.000707786139 -0.047948643888
    6    1
  0.615805280100
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
  0.013420664536
  0.085581841682
  0.251912401330
  0.426900454342
  0.519017054010
 -0.091415436354
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Sadoc.11s6p.1s1p.0e-O(CaFeO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the HT phase of CaFeO3
    -2.0   1
* s-type functions
   11    1
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
 -0.000106962886
 -0.000829834128
 -0.004304442567
 -0.017344879306
 -0.054251291688
 -0.125619728202
 -0.161796026388
  0.143832800138
  0.466885825100
  0.559983866488
 -0.047948643888
* p-type functions
    6    1
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
  0.013420664536
  0.085581841682
  0.251912401330
  0.426900454342
  0.519017054010
 -0.091415436354
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.4971000000e5  2.6795000000e4  4.7236000000e3  1.0828000000e3  3.0290000000e2 96.670000000000 33.999000000000 11.044000000000  3.466800000000  1.302200000000  0.515220000000
  0.068197000000
 -0.023912870040 -0.038203564390 -0.078027104370 -0.141487416600 -0.252098549800 -0.413436155900 -0.494949560600 -0.462778392700 -0.923110353500 -1.281818414000 -0.885162321200
 -0.005015296351
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
 40.470942060000  2.070696924000
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
  0.000507933544 -0.000106962886
  0.003927951997 -0.000829834128
  0.020235470101 -0.004304442567
  0.079160131721 -0.017344879306
  0.230610813220 -0.054251291688
  0.432817978738 -0.125619728202
  0.349970706443 -0.161796026388
  0.043982855978  0.143832800138
 -0.008931637819  0.466885825100
  0.003813518356  0.559983866488
 -0.000707786139 -0.047948643888
    6    1
  0.615805280100
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
  0.013420664536
  0.085581841682
  0.251912401330
  0.426900454342
  0.519017054010
 -0.091415436354
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Fe.EMB-AIMP.Sadoc.22s16p.1s1p.0e-Fe(CaFeO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the HT phase of CaFeO3
     4.0   1
* s-type functions
   22    1
      61132.62000000
       9179.34200000
       2090.85700000
        589.24790000
        188.75430000
         64.44629000
       1259.98000000
        299.87610000
         96.84917000
         36.31020000
         14.72996000
          6.06607500
         50.43485000
         16.83929000
          7.19208600
          3.05342000
          1.27364300
          0.50409100
          1.95031600
          0.73672100
          0.11417700
          0.04114800
  0.000203759018
  0.001561022215
  0.007698897629
  0.026706494024
  0.055344447853
  0.040402873618
  0.001113477915
  0.014724739626
  0.057807626743
 -0.014340431471
 -0.283510638273
 -0.205655239032
  0.004773260479
 -0.082895049641
 -0.287463694475
  0.303606464377
  0.735634674708
  0.161013004628
  0.102326127696
  0.047921025147
 -0.024781025078
  0.003775354429
* p-type functions
   16    1
       1259.98000000
        299.87610000
         96.84917000
         36.31020000
         14.72996000
          6.06607500
         50.43485000
         16.83929000
          7.19208600
          3.05342000
          1.27364300
          0.50409100
          1.95031600
          0.73672100
          0.11417700
          0.04114800
 -0.001555327145
 -0.012142330078
 -0.052834409287
 -0.134651585928
 -0.178310769004
 -0.078887978859
 -0.007744607197
 -0.033389233587
  0.073243602658
  0.435706093014
  0.488361838672
  0.109798962991
  0.052750024200
  0.045505874739
 -0.015873816568
  0.002630015887
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7454000000e5  5.7264000000e4  1.3468500000e4  3.7447000000e3  1.1859000000e3  4.1429000000e2  1.4085700000e2 52.178000000000 23.885000000000  5.683000000000  2.499930000000
  0.864430000000
  0.043359800780  0.052307833760  0.095213615360  0.168584007500  0.278894523000  0.369512625300  0.433895580300  0.856560121700  0.776006476900  0.934724564700  1.288960816000
  0.201980035100
M2
  0
COREREP
 1.0
PROJOP
    2
   22    3
  5.2431529370e2 65.577779600000  9.587748988000
      61132.62000000
       9179.34200000
       2090.85700000
        589.24790000
        188.75430000
         64.44629000
       1259.98000000
        299.87610000
         96.84917000
         36.31020000
         14.72996000
          6.06607500
         50.43485000
         16.83929000
          7.19208600
          3.05342000
          1.27364300
          0.50409100
          1.95031600
          0.73672100
          0.11417700
          0.04114800
 -0.001753999892 -0.000535513757  0.000203759018
 -0.013437603017 -0.004102634957  0.001561022215
 -0.066273707721 -0.020234027577  0.007698897629
 -0.229895040118 -0.070189261194  0.026706494024
 -0.476416486857 -0.145454731063  0.055344447853
 -0.347796316613 -0.106185703251  0.040402873618
 -0.000082403696 -0.002536131501  0.001113477915
 -0.001089714445 -0.033538048220  0.014724739626
 -0.004278093024 -0.131666502935  0.057807626743
  0.001061273456  0.032662722355 -0.014340431471
  0.020981399032  0.645742722706 -0.283510638273
  0.015219656869  0.468414077158 -0.205655239032
  0.010889447212  0.001716872873  0.004773260479
 -0.041455880758 -0.010671457089 -0.082895049641
 -0.012555517276  0.019139938537 -0.287463694475
 -0.004031729592 -0.079968225355  0.303606464377
  0.002526307369 -0.076826210294  0.735634674708
  0.000913267330 -0.009746973421  0.161013004628
 -0.000111478031  0.131025762326  0.102326127696
 -0.002145103937  0.032073530896  0.047921025147
 -0.000048511669 -0.000179391843 -0.024781025078
  0.000015812665  0.000008680595  0.003775354429
   16    2
 56.531566670000  6.664043020000
       1259.98000000
        299.87610000
         96.84917000
         36.31020000
         14.72996000
          6.06607500
         50.43485000
         16.83929000
          7.19208600
          3.05342000
          1.27364300
          0.50409100
          1.95031600
          0.73672100
          0.11417700
          0.04114800
  0.004014248696 -0.001555327145
  0.031338958393 -0.012142330078
  0.136363889273 -0.052834409287
  0.347531356968 -0.134651585928
  0.460214286275 -0.178310769004
  0.203607303636 -0.078887978859
  0.000344105404 -0.007744607197
 -0.000676307450 -0.033389233587
  0.005426983306  0.073243602658
 -0.019885199545  0.435706093014
 -0.021162051074  0.488361838672
 -0.002933445910  0.109798962991
  0.038334743732  0.052750024200
  0.009094353726  0.045505874739
  0.000033794289 -0.015873816568
 -0.000021944136  0.002630015887
    4    1    4
  1.214415712000
         23.14994000
          6.12236800
          1.84660100
          0.50436100
 -0.071006751102
 -0.310436729279
 -0.561353930261
 -0.363110506770
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.2.7. LaMnO3
********************************************************************************
*           E.2.7.a. LaMnO3
*             /La.EMB-AIMP.Sadoc.0s.0s.0e-La(LaMnO3).
*             /Mn.EMB-AIMP.Sadoc.0s.0s.0e-Mn(LaMnO3).
*             /O.EMB-AIMP.Sadoc.0s.0s.0e-O1(LaMnO3).
*             /O.EMB-AIMP.Sadoc.0s.0s.0e-O2(LaMnO3).
*             /Mn.EMB-AIMP.Sadoc.22s16p.1s1p.0e-Mn(LaMnO3).
*             /O.EMB-AIMP.Sadoc.11s6p.1s1p.0e-O1(LaMnO3).
*             /O.EMB-AIMP.Sadoc.11s6p.1s1p.0e-O2(LaMnO3).
********************************************************************************
*   Structure reported in
*   J. Rodriguez-Carvajal, M. Hennion, F. Moussa, A.H. Moudden, L. Pinsard, A. Revcolevschi. Phys. Rev. B 57 (1998) R3189-R3192. doi:10.1103/physrevb.57.r3189
********************************************************************************

/La.EMB-AIMP.Sadoc.0s.0s.0e-La(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the structure reported in PRB 57 (1998) R3189
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.6466000000e5  1.1495300000e5  3.3431000000e4  1.1037540000e4  4.0456700000e3  1.6060400000e3  5.9836700000e2  2.4801500000e2  1.0566720000e2 41.288500000000 25.672080000000
  5.454900000000  2.950090000000  0.922430000000  0.457715000000
  0.140471062700  0.133087645700  0.224991121700  0.359360084400  0.523103269100  0.628925531400  0.923376655900  1.941080321000  0.855627798300  2.867100326000  2.006478336000
  3.868693487000  1.156776848000  1.899278513000  0.471649000400
M2
  0
COREREP
 1.0
PROJOP
    2
   15    5
  2.8816695000e3  4.6675229000e2  1.0319024000e2 22.284838000000  3.642759500000
     121600.00000000
      17260.00000000
       4201.00000000
       1325.00000000
        485.70000000
        177.50000000
         85.25000000
         41.05000000
         16.06000000
          8.25400000
          3.48200000
          1.74700000
          0.31230000
          0.61390000
          0.14500000
  0.013978134013  0.005101717516  0.002298766892  0.001090331900  0.000441185140
  0.062456141058  0.023419680075  0.010859749963  0.005059329301  0.002060311998
  0.196625140182  0.078624597252  0.035880201876  0.017089535004  0.006917577094
  0.400592290371  0.188355430603  0.090890629686  0.042588561010  0.017386461984
  0.402737980373  0.254176930814  0.123989449572  0.060798693014  0.024638382978
  0.106008750098 -0.083033305266 -0.048831456831 -0.029186099007 -0.011685453989
 -0.023910763022 -0.596653211910 -0.533911618157 -0.279793360064 -0.117889239893
  0.002619860702 -0.429085141373 -0.414911428568 -0.260941130059 -0.111262089899
 -0.001102835501 -0.053492914171  0.720933557512  0.688344130157  0.325097129706
  0.007127388907  0.016152997052  0.594308627949  0.730061350166  0.376579579659
 -0.003397318203 -0.006693378821  0.059753085794 -0.779556510178 -0.566298799487
 -0.000717511051  0.002156576907 -0.007183681175 -0.713516410163 -0.754848029316
  0.000824159451  0.001195286904 -0.001327521795  0.009576247902  0.697787329368
 -0.000149589530 -0.001271140904  0.002603383091 -0.047882921011  0.639969969420
 -0.000022498533 -0.000200952301  0.000386196239 -0.001973273800  0.092833891916
   10    4
  4.1832319000e2 87.300998000000 16.894918000000  1.655956951000
       2016.48355000
        452.06376800
        137.77910000
         20.53733130
         10.71480700
          4.69709577
          2.55992828
       5182.03905e-4
          0.20092269
          0.03800000
  0.055226062693  0.021357090065  0.009725985030 -0.003497723482
  0.172406827150  0.112773489183  0.053598306206 -0.021825689102
  0.730212075192  0.339927057570  0.158135225349 -0.058396200013
  0.499663928672 -0.499784236675 -0.452731417829  0.174404423647
 -0.432011313966 -0.478799299228 -0.146158592490  0.096880204908
  0.262488527315 -0.093812533475  0.120179435553 -0.195805905000
 -0.117434530020  0.004060009300  0.922837753261 -0.413341151345
  0.021339617008 -0.000602149981  0.123097136849  0.783631863954
 -0.010798317481 -0.000053426992 -0.041234601294  0.366487337438
  0.001996446919  0.000012101462  0.007171449955 -0.028527197840
    8    2
 64.299731000000  8.813133800000
        334.60000000
        103.20000000
         40.50000000
         17.56000000
          7.98600000
          3.67900000
          1.67700000
          0.70920000
  0.029148935059  0.013250518057
  0.154582740311  0.072457252313
  0.378585310763  0.176789980765
  0.448617750904  0.183247940793
  0.195839080395 -0.142998240619
  0.018735311038 -0.514790802227
  0.000460486001 -0.412404831784
 -0.000309389851 -0.090423018391
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mn.EMB-AIMP.Sadoc.0s.0s.0e-Mn(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the structure reported in PRB 57 (1998) R3189
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7065000000e5  5.6137000000e4  1.3075300000e4  3.6068000000e3  1.1348700000e3  3.9403000000e2  1.3322400000e2 48.503000000000 21.870700000000  5.165600000000  2.243590000000
  0.777840000000
  0.055450909410  0.067490627100  0.123411831400  0.219047110400  0.364609184400  0.488939718300  0.569461170500  1.131058318000  1.054957363000  1.180090087000  1.703090517000
  0.375726497700
M2
  0
COREREP
 1.0
PROJOP
    2
   22    3
  4.8154628450e2 58.786180140000  7.911942289000
      56347.14000000
       8460.94300000
       1927.32500000
        543.23430000
        173.99050000
         59.36005000
       1165.41200000
        277.32760000
         89.47278000
         33.48256000
         13.54037000
          5.55797200
         45.83532000
         15.18777000
          6.50071000
          2.75158300
          1.14540400
          0.45368700
          1.75799900
          0.66702200
          0.10512900
          0.03841800
 -0.001759544967 -0.000534269155 -0.000199611434
 -0.013478618199 -0.004092654688 -0.001529080729
 -0.066451531127 -0.020177377707 -0.007538588466
 -0.230279024738 -0.069922043652 -0.026123984960
 -0.476644421018 -0.144728561583 -0.054072887013
 -0.347198909616 -0.105423658719 -0.039387951653
 -0.000080944056 -0.002485931773 -0.001070370355
 -0.001078138573 -0.033111497680 -0.014256853675
 -0.004251515613 -0.130571387425 -0.056220264713
  0.001001463416  0.030756671165  0.013242933453
  0.020924856061  0.642638469695  0.276701546895
  0.015399136140  0.472934067249  0.203631737218
  0.010875309483  0.001958749978 -0.004272915252
 -0.042659717374 -0.011795827605  0.081238571905
 -0.010253990063  0.020137913450  0.280835985478
 -0.008690652124 -0.087719035929 -0.302928790680
 -0.003474433144 -0.092833040234 -0.730244527745
 -0.000226883775 -0.013808742937 -0.176663471656
  0.007425553299  0.147600279536 -0.085375559804
  0.000969292064  0.042200495017 -0.045812605334
  0.000005887198  0.000402112222  0.017447817418
 -0.000000930561 -0.000146344146 -0.001493228850
   16    2
 50.194418310000  5.197402114000
       1165.41200000
        277.32760000
         89.47278000
         33.48256000
         13.54037000
          5.55797200
         45.83532000
         15.18777000
          6.50071000
          2.75158300
          1.14540400
          0.45368700
          1.75799900
          0.66702200
          0.10512900
          0.03841800
 -0.003964051811  0.001494868895
 -0.030927601360  0.011662993190
 -0.134738413285  0.050810703949
 -0.344585328801  0.129945296963
 -0.461376214757  0.173987875360
 -0.208361786432  0.078574541487
 -0.000348792994  0.007497634684
  0.000952343057  0.032021490280
 -0.005711148297 -0.068921255024
  0.021924725388 -0.429606440816
  0.025680427341 -0.512971469887
  0.003844063137 -0.150368370364
 -0.043353823565 -0.028859439125
 -0.011700490134 -0.016999965172
 -0.000122432878  0.017629261622
  0.000054246366 -0.002477542341
    4    1    4
  0.247398850200
         20.94355000
          5.51048600
          1.66503800
          0.46173300
 -0.064326662691
 -0.284341200272
 -0.520474258455
 -0.440347732593
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Sadoc.0s.0s.0e-O1(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the structure reported in PRB 57 (1998) R3189
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.5046000000e5  2.6942000000e4  4.7570000000e3  1.0910000000e3  3.0519000000e2 97.470000000000 34.334000000000 11.204000000000  3.523800000000  1.334400000000  0.529090000000
  0.070110000000
 -0.023858872160 -0.038051286700 -0.077681199990 -0.140901642100 -0.250954222400 -0.411431592800 -0.494167354800 -0.459421804200 -0.907251760800 -1.262140530000 -0.926458954300
 -0.007680779919
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
 40.348871780000  1.948511747000
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
  0.000507935163 -0.000107243443
  0.003927946217 -0.000831546472
  0.020235575554 -0.004316873271
  0.079159727368 -0.017375563369
  0.230612404227 -0.054431055705
  0.432816199499 -0.125755845387
  0.349981699751 -0.162686528572
  0.043955121117  0.146493886595
 -0.008935745085  0.460490649247
  0.003939960832  0.581953337861
 -0.000891589971 -0.074247724368
    6    1
  0.495858620300
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
 -0.013414728109
 -0.085241755488
 -0.252294940123
 -0.421790484634
 -0.531274851363
  0.107242188861
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Sadoc.0s.0s.0e-O2(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the structure reported in PRB 57 (1998) R3189
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.5126000000e5  2.7101000000e4  4.7949000000e3  1.1017000000e3  3.0890000000e2 98.990000000000 35.003000000000 11.480000000000  3.595800000000  1.358100000000  0.539480000000
  0.072820000000
 -0.023838236930 -0.037943619420 -0.077381664970 -0.140160508400 -0.248985485500 -0.407620174400 -0.493850633600 -0.459751333400 -0.894249476200 -1.284931342000 -0.922586738100
 -0.008700787516
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
 40.315832620000  1.938430662000
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
  0.000507919855 -0.000107206905
  0.003927815377 -0.000832360428
  0.020234985042 -0.004312691739
  0.079156838305 -0.017404397872
  0.230605136682 -0.054322271142
  0.432787013894 -0.126153196040
  0.349983532497 -0.161556910231
  0.044005774973  0.141842593830
 -0.008910338149  0.467280199714
  0.003929393974  0.582304998121
 -0.000891742912 -0.080529854113
    6    1
  0.483525869900
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
  0.013395420664
  0.085952429995
  0.250336859208
  0.432961472674
  0.520602904422
 -0.109676838395
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mn.EMB-AIMP.Sadoc.22s16p.1s1p.0e-Mn(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the structure reported in PRB 57 (1998) R3189
     3.0   1
* s-type functions
   22    1
      56347.14000000
       8460.94300000
       1927.32500000
        543.23430000
        173.99050000
         59.36005000
       1165.41200000
        277.32760000
         89.47278000
         33.48256000
         13.54037000
          5.55797200
         45.83532000
         15.18777000
          6.50071000
          2.75158300
          1.14540400
          0.45368700
          1.75799900
          0.66702200
          0.10512900
          0.03841800
 -0.000199611434
 -0.001529080729
 -0.007538588466
 -0.026123984960
 -0.054072887013
 -0.039387951653
 -0.001070370355
 -0.014256853675
 -0.056220264713
  0.013242933453
  0.276701546895
  0.203631737218
 -0.004272915252
  0.081238571905
  0.280835985478
 -0.302928790680
 -0.730244527745
 -0.176663471656
 -0.085375559804
 -0.045812605334
  0.017447817418
 -0.001493228850
* p-type functions
   16    1
       1165.41200000
        277.32760000
         89.47278000
         33.48256000
         13.54037000
          5.55797200
         45.83532000
         15.18777000
          6.50071000
          2.75158300
          1.14540400
          0.45368700
          1.75799900
          0.66702200
          0.10512900
          0.03841800
  0.001494868895
  0.011662993190
  0.050810703949
  0.129945296963
  0.173987875360
  0.078574541487
  0.007497634684
  0.032021490280
 -0.068921255024
 -0.429606440816
 -0.512971469887
 -0.150368370364
 -0.028859439125
 -0.016999965172
  0.017629261622
 -0.002477542341
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7065000000e5  5.6137000000e4  1.3075300000e4  3.6068000000e3  1.1348700000e3  3.9403000000e2  1.3322400000e2 48.503000000000 21.870700000000  5.165600000000  2.243590000000
  0.777840000000
  0.055450909410  0.067490627100  0.123411831400  0.219047110400  0.364609184400  0.488939718300  0.569461170500  1.131058318000  1.054957363000  1.180090087000  1.703090517000
  0.375726497700
M2
  0
COREREP
 1.0
PROJOP
    2
   22    3
  4.8154628450e2 58.786180140000  7.911942289000
      56347.14000000
       8460.94300000
       1927.32500000
        543.23430000
        173.99050000
         59.36005000
       1165.41200000
        277.32760000
         89.47278000
         33.48256000
         13.54037000
          5.55797200
         45.83532000
         15.18777000
          6.50071000
          2.75158300
          1.14540400
          0.45368700
          1.75799900
          0.66702200
          0.10512900
          0.03841800
 -0.001759544967 -0.000534269155 -0.000199611434
 -0.013478618199 -0.004092654688 -0.001529080729
 -0.066451531127 -0.020177377707 -0.007538588466
 -0.230279024738 -0.069922043652 -0.026123984960
 -0.476644421018 -0.144728561583 -0.054072887013
 -0.347198909616 -0.105423658719 -0.039387951653
 -0.000080944056 -0.002485931773 -0.001070370355
 -0.001078138573 -0.033111497680 -0.014256853675
 -0.004251515613 -0.130571387425 -0.056220264713
  0.001001463416  0.030756671165  0.013242933453
  0.020924856061  0.642638469695  0.276701546895
  0.015399136140  0.472934067249  0.203631737218
  0.010875309483  0.001958749978 -0.004272915252
 -0.042659717374 -0.011795827605  0.081238571905
 -0.010253990063  0.020137913450  0.280835985478
 -0.008690652124 -0.087719035929 -0.302928790680
 -0.003474433144 -0.092833040234 -0.730244527745
 -0.000226883775 -0.013808742937 -0.176663471656
  0.007425553299  0.147600279536 -0.085375559804
  0.000969292064  0.042200495017 -0.045812605334
  0.000005887198  0.000402112222  0.017447817418
 -0.000000930561 -0.000146344146 -0.001493228850
   16    2
 50.194418310000  5.197402114000
       1165.41200000
        277.32760000
         89.47278000
         33.48256000
         13.54037000
          5.55797200
         45.83532000
         15.18777000
          6.50071000
          2.75158300
          1.14540400
          0.45368700
          1.75799900
          0.66702200
          0.10512900
          0.03841800
 -0.003964051811  0.001494868895
 -0.030927601360  0.011662993190
 -0.134738413285  0.050810703949
 -0.344585328801  0.129945296963
 -0.461376214757  0.173987875360
 -0.208361786432  0.078574541487
 -0.000348792994  0.007497634684
  0.000952343057  0.032021490280
 -0.005711148297 -0.068921255024
  0.021924725388 -0.429606440816
  0.025680427341 -0.512971469887
  0.003844063137 -0.150368370364
 -0.043353823565 -0.028859439125
 -0.011700490134 -0.016999965172
 -0.000122432878  0.017629261622
  0.000054246366 -0.002477542341
    4    1    4
  0.247398850200
         20.94355000
          5.51048600
          1.66503800
          0.46173300
 -0.064326662691
 -0.284341200272
 -0.520474258455
 -0.440347732593
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Sadoc.11s6p.1s1p.0e-O1(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the structure reported in PRB 57 (1998) R3189
    -2.0   1
* s-type functions
   11    1
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
 -0.000107243443
 -0.000831546472
 -0.004316873271
 -0.017375563369
 -0.054431055705
 -0.125755845387
 -0.162686528572
  0.146493886595
  0.460490649247
  0.581953337861
 -0.074247724368
* p-type functions
    6    1
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
 -0.013414728109
 -0.085241755488
 -0.252294940123
 -0.421790484634
 -0.531274851363
  0.107242188861
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.5046000000e5  2.6942000000e4  4.7570000000e3  1.0910000000e3  3.0519000000e2 97.470000000000 34.334000000000 11.204000000000  3.523800000000  1.334400000000  0.529090000000
  0.070110000000
 -0.023858872160 -0.038051286700 -0.077681199990 -0.140901642100 -0.250954222400 -0.411431592800 -0.494167354800 -0.459421804200 -0.907251760800 -1.262140530000 -0.926458954300
 -0.007680779919
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
 40.348871780000  1.948511747000
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
  0.000507935163 -0.000107243443
  0.003927946217 -0.000831546472
  0.020235575554 -0.004316873271
  0.079159727368 -0.017375563369
  0.230612404227 -0.054431055705
  0.432816199499 -0.125755845387
  0.349981699751 -0.162686528572
  0.043955121117  0.146493886595
 -0.008935745085  0.460490649247
  0.003939960832  0.581953337861
 -0.000891589971 -0.074247724368
    6    1
  0.495858620300
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
 -0.013414728109
 -0.085241755488
 -0.252294940123
 -0.421790484634
 -0.531274851363
  0.107242188861
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Sadoc.11s6p.1s1p.0e-O2(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the structure reported in PRB 57 (1998) R3189
    -2.0   1
* s-type functions
   11    1
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
 -0.000107206905
 -0.000832360428
 -0.004312691739
 -0.017404397872
 -0.054322271142
 -0.126153196040
 -0.161556910231
  0.141842593830
  0.467280199714
  0.582304998121
 -0.080529854113
* p-type functions
    6    1
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
  0.013395420664
  0.085952429995
  0.250336859208
  0.432961472674
  0.520602904422
 -0.109676838395
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.5126000000e5  2.7101000000e4  4.7949000000e3  1.1017000000e3  3.0890000000e2 98.990000000000 35.003000000000 11.480000000000  3.595800000000  1.358100000000  0.539480000000
  0.072820000000
 -0.023838236930 -0.037943619420 -0.077381664970 -0.140160508400 -0.248985485500 -0.407620174400 -0.493850633600 -0.459751333400 -0.894249476200 -1.284931342000 -0.922586738100
 -0.008700787516
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
 40.315832620000  1.938430662000
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
  0.000507919855 -0.000107206905
  0.003927815377 -0.000832360428
  0.020234985042 -0.004312691739
  0.079156838305 -0.017404397872
  0.230605136682 -0.054322271142
  0.432787013894 -0.126153196040
  0.349983532497 -0.161556910231
  0.044005774973  0.141842593830
 -0.008910338149  0.467280199714
  0.003929393974  0.582304998121
 -0.000891742912 -0.080529854113
    6    1
  0.483525869900
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
  0.013395420664
  0.085952429995
  0.250336859208
  0.432961472674
  0.520602904422
 -0.109676838395
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.2.8. CaMnO3
********************************************************************************
*           E.2.8.a. CaMnO3
*             /Ca.EMB-AIMP.Sadoc.0s.0s.0e-Ca(CaMnO3).
*             /Mn.EMB-AIMP.Sadoc.0s.0s.0e-Mn(CaMnO3).
*             /O.EMB-AIMP.Sadoc.0s.0s.0e-O(CaMnO3).
*             /Mn.EMB-AIMP.Sadoc.22s16p.1s1p.0e-Mn(CaMnO3).
*             /O.EMB-AIMP.Sadoc.11s6p.1s1p.0e-O(CaMnO3).
********************************************************************************
*   Structure reported in
*   K.R. Poeppelmeier, M.E. Leonowicz, J.C. Scanlon, J.M. Longo, W.B. Yelon. J. Solid State Chem. 45 (1982) 71-79. doi:10.1016/0022-4596(82)90292-4
********************************************************************************

/Ca.EMB-AIMP.Sadoc.0s.0s.0e-Ca(CaMnO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the structure reported in JSSC 45 (1982) 71
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.3346117000e5  4.6083575500e4  1.0024908000e4  2.6733475900e3  8.2493693200e2  2.8354381500e2 97.213997000000 33.923138300000 14.706263800000  4.343382000000  1.811390000000
  0.923578000000
  0.066682035940  0.087693510560  0.162720123900  0.289065479100  0.487927468000  0.671949730400  0.729396403100  1.413207137000  1.725762755000  0.524350478100  2.063810154000
  0.777434724600
M2
  0
COREREP
 1.0
PROJOP
    1
   22    3
  2.9819592880e2 33.134887200000  3.964191498000
      35264.86000000
       5295.50300000
       1206.02000000
        339.68390000
        108.62640000
         36.92103000
        706.30960000
        167.81870000
         53.82558000
         20.01638000
          7.97027900
          3.21205900
         14.19518000
          4.88082800
          2.16039000
          0.98789900
          0.44951700
          0.18738700
          1.03227100
          0.38117100
          0.06513100
          0.02601000
  0.001808769314  0.000528558786 -0.000180271085
  0.013848709846  0.004046871652 -0.001380232369
  0.068183292242  0.019924529839 -0.006795491279
  0.235004166054  0.068672945597 -0.023421702127
  0.480806390679  0.140501301165 -0.047919593310
  0.342087199243  0.099964762402 -0.034094138061
 -0.000051569822  0.002514764623 -0.001030748496
 -0.000682794445  0.033295971315 -0.013647309983
 -0.002582922992  0.125954349124 -0.051626006941
  0.000909330891 -0.044342855295  0.018175192609
  0.012905978668 -0.629350603206  0.257957417392
  0.009452610213 -0.460949618192  0.188933437818
 -0.003837800610  0.001174011546  0.011847262397
  0.008063638639 -0.010950233325  0.221696375691
 -0.028307900504  0.013797808829  0.043908275995
 -0.002933145169 -0.012904030190 -0.360125432463
 -0.078414282730 -0.035340216869 -0.584621859696
 -0.008624245550 -0.005352211575 -0.080926649763
  0.029983245474 -0.004152622435 -0.230747804598
  0.072238070076  0.036258693845 -0.013825515430
  0.001650446217  0.000878831630  0.023206959820
 -0.000430113125 -0.000311568950 -0.006289468733
   16    2
 26.754674030000  2.158453854000
        706.30960000
        167.81870000
         53.82558000
         20.01638000
          7.97027900
          3.21205900
         14.19518000
          4.88082800
          2.16039000
          0.98789900
          0.44951700
          0.18738700
          1.03227100
          0.38117100
          0.06513100
          0.02601000
 -0.004010664499  0.001598700050
 -0.030931158965  0.012329539254
 -0.133405069950  0.053176896750
 -0.335985241454  0.133927837233
 -0.462010071021  0.184162879666
 -0.225208213376  0.089770755447
  0.000552246981  0.015518604893
 -0.001516208203  0.015060439361
  0.000497856230 -0.260479421069
 -0.232968519315 -1.483561036218
  0.069176951551  0.079762555252
  0.005434183042  0.054306844357
  0.208517651422  0.883311957204
 -0.057110184998 -0.445092492266
 -0.000944770523  0.029421259436
  0.000258334290 -0.008851190105
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mn.EMB-AIMP.Sadoc.0s.0s.0e-Mn(CaMnO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the structure reported in JSSC 45 (1982) 71
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.6931000000e5  5.5770000000e4  1.2980700000e4  3.5772000000e3  1.1253000000e3  3.9158000000e2  1.3251500000e2 48.400000000000 21.976400000000  5.077900000000  2.281370000000
  0.804170000000
  0.041395007090  0.050476959800  0.092262331560  0.164109022500  0.272411393400  0.363299057300  0.422351271900  0.841311904200  0.771656773900  0.870929107400  1.182892128000
  0.176905043200
M2
  0
COREREP
 1.0
PROJOP
    2
   22    3
  4.8240996050e2 59.708956690000  8.661376728000
      56347.14000000
       8460.94300000
       1927.32500000
        543.23430000
        173.99050000
         59.36005000
       1165.41200000
        277.32760000
         89.47278000
         33.48256000
         13.54037000
          5.55797200
         45.83532000
         15.18777000
          6.50071000
          2.75158300
          1.14540400
          0.45368700
          1.75799900
          0.66702200
          0.10512900
          0.03841800
 -0.001759500306 -0.000534333116  0.000202489176
 -0.013478276087 -0.004093144648  0.001551125059
 -0.066449844469 -0.020179793283  0.007647270187
 -0.230273179847 -0.069930414511  0.026500607144
 -0.476632322935 -0.144745888055  0.054852440700
 -0.347190097090 -0.105436279725  0.039955796734
 -0.000080603994 -0.002485368618  0.001085059869
 -0.001073609089 -0.033103996708  0.014452511425
 -0.004233654112 -0.130541808202  0.056991818575
  0.000997256060  0.030749703648 -0.013424676398
  0.020836946391  0.642492888437 -0.280498934694
  0.015334441168  0.472826930282 -0.206426331911
  0.010827496513  0.001832560702  0.004567467297
 -0.042606602292 -0.011651997498 -0.083790092351
 -0.010167582407  0.020976777815 -0.285689044589
 -0.008677785104 -0.089739620903  0.296299449371
 -0.003443484306 -0.096797468176  0.692573578976
 -0.000221895422 -0.014608676573  0.143275741311
  0.007405503589  0.151234836810  0.142420567401
  0.000945375459  0.044678972091  0.076568901160
  0.000013920337 -0.000045114004 -0.031597140182
 -0.000003318047 -0.000013588779  0.005984352191
   16    2
 51.110631890000  5.913778789000
       1165.41200000
        277.32760000
         89.47278000
         33.48256000
         13.54037000
          5.55797200
         45.83532000
         15.18777000
          6.50071000
          2.75158300
          1.14540400
          0.45368700
          1.75799900
          0.66702200
          0.10512900
          0.03841800
  0.003963790773  0.001525551149
  0.030925564736  0.011902376671
  0.134729540582  0.051853596028
  0.344562637400  0.132612430272
  0.461345832522  0.177558984654
  0.208348065533  0.080187287633
  0.000341218594  0.007617792676
 -0.000666744466  0.033403778239
  0.005772098737 -0.072564004517
 -0.022557236142 -0.434041223636
 -0.026578272836 -0.476474921066
 -0.004242854880 -0.101988630512
  0.043977928547 -0.064089762339
  0.012370070349 -0.055154708797
  0.000090110578  0.021389299967
 -0.000039957923 -0.004416442083
    4    1    3
  0.761661690800
         20.94355000
          5.51048600
          1.66503800
          0.46173300
 -0.068425291230
 -0.301962966753
 -0.554256517137
 -0.379277771510
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Sadoc.0s.0s.0e-O(CaMnO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the structure reported in JSSC 45 (1982) 71
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.4906000000e5  2.6668000000e4  4.6936000000e3  1.0746000000e3  3.0048000000e2 96.010000000000 33.860000000000 11.031000000000  3.479800000000  1.311800000000  0.528360000000
  0.069997000000
 -0.024010779840 -0.038419229140 -0.078529500380 -0.142468499400 -0.253708051200 -0.414700417100 -0.494669596900 -0.464843643100 -0.914496109600 -1.317495318000 -0.850606286500
 -0.006052568822
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
 40.411745400000  2.069437696000
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
  0.000507891625  0.000106981872
  0.003927603398  0.000832611097
  0.020233831014  0.004298707395
  0.079152538380  0.017431268831
  0.230590295685  0.054044081655
  0.432741977934  0.126700567598
  0.349965855818  0.159200731804
  0.044151539179 -0.132015340710
 -0.008895496832 -0.487433724340
  0.003750898124 -0.554097656358
 -0.000636541442  0.058312520907
    6    1
  0.606033942000
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
  0.013327371156
  0.086543037271
  0.247037044811
  0.448747824542
  0.499320626205
 -0.096303150521
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mn.EMB-AIMP.Sadoc.22s16p.1s1p.0e-Mn(CaMnO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the structure reported in JSSC 45 (1982) 71
     4.0   1
* s-type functions
   22    1
      56347.14000000
       8460.94300000
       1927.32500000
        543.23430000
        173.99050000
         59.36005000
       1165.41200000
        277.32760000
         89.47278000
         33.48256000
         13.54037000
          5.55797200
         45.83532000
         15.18777000
          6.50071000
          2.75158300
          1.14540400
          0.45368700
          1.75799900
          0.66702200
          0.10512900
          0.03841800
  0.000202489176
  0.001551125059
  0.007647270187
  0.026500607144
  0.054852440700
  0.039955796734
  0.001085059869
  0.014452511425
  0.056991818575
 -0.013424676398
 -0.280498934694
 -0.206426331911
  0.004567467297
 -0.083790092351
 -0.285689044589
  0.296299449371
  0.692573578976
  0.143275741311
  0.142420567401
  0.076568901160
 -0.031597140182
  0.005984352191
* p-type functions
   16    1
       1165.41200000
        277.32760000
         89.47278000
         33.48256000
         13.54037000
          5.55797200
         45.83532000
         15.18777000
          6.50071000
          2.75158300
          1.14540400
          0.45368700
          1.75799900
          0.66702200
          0.10512900
          0.03841800
  0.001525551149
  0.011902376671
  0.051853596028
  0.132612430272
  0.177558984654
  0.080187287633
  0.007617792676
  0.033403778239
 -0.072564004517
 -0.434041223636
 -0.476474921066
 -0.101988630512
 -0.064089762339
 -0.055154708797
  0.021389299967
 -0.004416442083
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.6931000000e5  5.5770000000e4  1.2980700000e4  3.5772000000e3  1.1253000000e3  3.9158000000e2  1.3251500000e2 48.400000000000 21.976400000000  5.077900000000  2.281370000000
  0.804170000000
  0.041395007090  0.050476959800  0.092262331560  0.164109022500  0.272411393400  0.363299057300  0.422351271900  0.841311904200  0.771656773900  0.870929107400  1.182892128000
  0.176905043200
M2
  0
COREREP
 1.0
PROJOP
    2
   22    3
  4.8240996050e2 59.708956690000  8.661376728000
      56347.14000000
       8460.94300000
       1927.32500000
        543.23430000
        173.99050000
         59.36005000
       1165.41200000
        277.32760000
         89.47278000
         33.48256000
         13.54037000
          5.55797200
         45.83532000
         15.18777000
          6.50071000
          2.75158300
          1.14540400
          0.45368700
          1.75799900
          0.66702200
          0.10512900
          0.03841800
 -0.001759500306 -0.000534333116  0.000202489176
 -0.013478276087 -0.004093144648  0.001551125059
 -0.066449844469 -0.020179793283  0.007647270187
 -0.230273179847 -0.069930414511  0.026500607144
 -0.476632322935 -0.144745888055  0.054852440700
 -0.347190097090 -0.105436279725  0.039955796734
 -0.000080603994 -0.002485368618  0.001085059869
 -0.001073609089 -0.033103996708  0.014452511425
 -0.004233654112 -0.130541808202  0.056991818575
  0.000997256060  0.030749703648 -0.013424676398
  0.020836946391  0.642492888437 -0.280498934694
  0.015334441168  0.472826930282 -0.206426331911
  0.010827496513  0.001832560702  0.004567467297
 -0.042606602292 -0.011651997498 -0.083790092351
 -0.010167582407  0.020976777815 -0.285689044589
 -0.008677785104 -0.089739620903  0.296299449371
 -0.003443484306 -0.096797468176  0.692573578976
 -0.000221895422 -0.014608676573  0.143275741311
  0.007405503589  0.151234836810  0.142420567401
  0.000945375459  0.044678972091  0.076568901160
  0.000013920337 -0.000045114004 -0.031597140182
 -0.000003318047 -0.000013588779  0.005984352191
   16    2
 51.110631890000  5.913778789000
       1165.41200000
        277.32760000
         89.47278000
         33.48256000
         13.54037000
          5.55797200
         45.83532000
         15.18777000
          6.50071000
          2.75158300
          1.14540400
          0.45368700
          1.75799900
          0.66702200
          0.10512900
          0.03841800
  0.003963790773  0.001525551149
  0.030925564736  0.011902376671
  0.134729540582  0.051853596028
  0.344562637400  0.132612430272
  0.461345832522  0.177558984654
  0.208348065533  0.080187287633
  0.000341218594  0.007617792676
 -0.000666744466  0.033403778239
  0.005772098737 -0.072564004517
 -0.022557236142 -0.434041223636
 -0.026578272836 -0.476474921066
 -0.004242854880 -0.101988630512
  0.043977928547 -0.064089762339
  0.012370070349 -0.055154708797
  0.000090110578  0.021389299967
 -0.000039957923 -0.004416442083
    4    1    3
  0.761661690800
         20.94355000
          5.51048600
          1.66503800
          0.46173300
 -0.068425291230
 -0.301962966753
 -0.554256517137
 -0.379277771510
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Sadoc.11s6p.1s1p.0e-O(CaMnO3).
A. Sadoc, R. Broer, C. de Graaf. J. Chem. Phys. 126 (2007) 134709. doi:10.1063/1.2715552
From a SCEI calculation on the structure reported in JSSC 45 (1982) 71
    -2.0   1
* s-type functions
   11    1
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
  0.000106981872
  0.000832611097
  0.004298707395
  0.017431268831
  0.054044081655
  0.126700567598
  0.159200731804
 -0.132015340710
 -0.487433724340
 -0.554097656358
  0.058312520907
* p-type functions
    6    1
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
  0.013327371156
  0.086543037271
  0.247037044811
  0.448747824542
  0.499320626205
 -0.096303150521
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.4906000000e5  2.6668000000e4  4.6936000000e3  1.0746000000e3  3.0048000000e2 96.010000000000 33.860000000000 11.031000000000  3.479800000000  1.311800000000  0.528360000000
  0.069997000000
 -0.024010779840 -0.038419229140 -0.078529500380 -0.142468499400 -0.253708051200 -0.414700417100 -0.494669596900 -0.464843643100 -0.914496109600 -1.317495318000 -0.850606286500
 -0.006052568822
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
 40.411745400000  2.069437696000
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
  0.000507891625  0.000106981872
  0.003927603398  0.000832611097
  0.020233831014  0.004298707395
  0.079152538380  0.017431268831
  0.230590295685  0.054044081655
  0.432741977934  0.126700567598
  0.349965855818  0.159200731804
  0.044151539179 -0.132015340710
 -0.008895496832 -0.487433724340
  0.003750898124 -0.554097656358
 -0.000636541442  0.058312520907
    6    1
  0.606033942000
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
  0.013327371156
  0.086543037271
  0.247037044811
  0.448747824542
  0.499320626205
 -0.096303150521
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*    E.3. Rocksalt structure oxides and halides
********************************************************************************
*         E.3.1. MgO
********************************************************************************
*           E.3.1.a. MgO (a=4.2112 A)
*             /Mg.EMB-AIMP.Pascual.10s4p.1s1p.ECP.MgO.
*             /Mg.EMB-AIMP.Pascual.0s.0s.ECP.MgO.
*             /Mg.EMB-AIMP.Pascual.0s.0s.ECP.MgO-065.
*             /O.EMB-AIMP.Pascual.8s6p.1s1p.ECP.MgO.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.MgO.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.MgO-065.
********************************************************************************
*         E.3.2. CaO
********************************************************************************
*           E.3.2.a. CaO (a=4.8105 A)
*             /Ca.EMB-AIMP.Pascual.13s7p.1s1p.ECP.CaO.
*             /Ca.EMB-AIMP.Pascual.0s.0s.ECP.CaO.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.CaO.
********************************************************************************
*         E.3.3. SrO
********************************************************************************
*           E.3.3.a. SrO (a=5.1602 A)
*             /Sr.EMB-AIMP.Pascual.16s10p.1s1p.ECP.SrO.
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrO.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.SrO.
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrO-QR.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.SrO-QR.
********************************************************************************
*         E.3.4. NiO
********************************************************************************
*           E.3.4.a. NiO (a=4.164 A)
*             /Ni.EMB-AIMP.Seijo.14s11p6d.1s1p1d.ECP.NiO.
*             /Ni.EMB-AIMP.Seijo.0s.0s.ECP.NiO.
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.NiO.
********************************************************************************
*         E.3.5. LiF
********************************************************************************
*           E.3.5.a. LiF (a=4.028 A)
*             /Li.EMB-AIMP.Seijo.4s.1s.ECP.LiF.
*             /Li.EMB-AIMP.Seijo.0s.0s.ECP.LiF.
*             /F.EMB-AIMP.Seijo.0s.0s.ECP.LiF.
********************************************************************************
*         E.3.6. NaF
********************************************************************************
*           E.3.6.a. NaF (a=4.634 A)
*             /Na.EMB-AIMP.Seijo.6s3p.1s1p.ECP.NaF.
*             /Na.EMB-AIMP.Seijo.0s.0s.ECP.NaF.
*             /F.EMB-AIMP.Seijo.0s.0s.ECP.NaF.
*             /F.EMB-AIMP.Seijo.0s.0s.ECP.co-NaF. (core of Shell Model)
*             /F.EMB-AIMP.Seijo.0s.0s.ECP.sh-NaF. (shell of Shell Model)
********************************************************************************
*         E.3.7. KF
********************************************************************************
*           E.3.7.a. KF (a=5.348 A)
*             /K.EMB-AIMP.Seijo.10s7p.1s1p.ECP.KF.
*             /K.EMB-AIMP.Seijo.0s.0s.ECP.KF.
*             /F.EMB-AIMP.Seijo.0s.0s.ECP.KF.
********************************************************************************
*         E.3.8. NaCl
********************************************************************************
*           E.3.8.a. NaCl (a=5.64056 A)
*             /Na.EMB-AIMP.Barandiaran.6s3p.1s1p.ECP.NaCl.
*             /Na.EMB-AIMP.Barandiaran.0s.0s.ECP.NaCl.
*             /Cl.EMB-AIMP.Barandiaran.0s.0s.ECP.NaCl.
********************************************************************************
*         E.3.9. KCl
********************************************************************************
*           E.3.9.a. KCl (a=6.2933 A)
*             /K.EMB-AIMP.Pascual.10s7p.1s1p.ECP.KCl.
*             /K.EMB-AIMP.Pascual.0s.0s.ECP.KCl.
*             /Cl.EMB-AIMP.Pascual.0s.0s.ECP.KCl.
********************************************************************************
*         E.3.10. MnO
********************************************************************************
*           E.3.10.a. MnO (a=4.267 A)
*             /Mn.EMB-AIMP.Pascual.0s.0s.ECP.MnO.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.MnO.
********************************************************************************
*         E.3.11. CoO
********************************************************************************
*           E.3.11.a. CoO (a=4.4.03145 A)
*             /Co.EMB-AIMP.Sousa.0s.0s.ECP.Co(CoO).
*             /Co.EMB-AIMP.Sousa.22s16p.1s1p.ECP.Co(CoO).
*             /O.EMB-AIMP.Sousa.0s.0s.ECP.O(CoO).
*             /O.EMB-AIMP.Sousa.11s6p.1s1p.ECP.O(CoO).
********************************************************************************

********************************************************************************
*         E.3.1. MgO
********************************************************************************
*           E.3.1.a. MgO (a=4.2112 A)
*             /Mg.EMB-AIMP.Pascual.10s4p.1s1p.ECP.MgO.
*             /Mg.EMB-AIMP.Pascual.0s.0s.ECP.MgO.
*             /Mg.EMB-AIMP.Pascual.0s.0s.ECP.MgO-065.
*             /O.EMB-AIMP.Pascual.8s6p.1s1p.ECP.MgO.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.MgO.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.MgO-065.
********************************************************************************

/Mg.EMB-AIMP.Pascual.10s4p.1s1p.ECP.MgO.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
M.A. Nygren, L.G.M. Pettersson, Z. Barandiaran, L. Seijo. J. Chem. Phys. 100 (1994) 2010-2018. doi:10.1063/1.466553
********************************************************************************
* with orthogonality-functions
* MG-MGO-(10/4)                 (A0/4)
********************************************************************************
     2.0   1
* s-type functions
   10    1
       1878.63820000
        284.11346000
         64.18707000
         17.11882000
         25.86957000
          2.40558000
          0.82946000
          0.90918000
          0.10146000
          0.03698000
 -0.005220389990
 -0.036044063600
 -0.125330739000
 -0.145401203000
 -0.091012608300
  0.596123896000
  0.508857706000
  0.003535396150
  0.005778377630
 -0.006809260440
* p-type functions
    4    1
         49.11481000
         11.09001000
          3.13902000
          0.89691000
  0.042311631200
  0.230671413000
  0.518471734000
  0.431267241000
********************************************************************************
* External AIMP: MG(MGO)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.4415117000e5  4.9413575500e4  1.0760508000e4  2.8494975900e3  8.7247693200e2  3.0388481500e2  1.0956899700e2 39.554938300000 12.910963800000  4.685792000000  1.833400000000
  1.084900000000
  0.031575047700  0.040468796350  0.076223426000  0.132364756500  0.223980631500  0.363503941000  0.531840945000  0.484401123000  0.910411490000  1.563187350000  0.623163230000
  0.018879258300
M2
  0
COREREP
 1.0
PROJOP
    1
   10    2
 97.658114200000  7.205325290000
       1878.63820000
        284.11346000
         64.18707000
         17.11882000
         25.86957000
          2.40558000
          0.82946000
          0.90918000
          0.10146000
          0.03698000
  0.018908808000 -0.005220389990
  0.130555433000 -0.036044063600
  0.453961273000 -0.125330739000
  0.526658627000 -0.145401203000
 -0.006366326590 -0.091012608300
  0.041698831400  0.596123896000
  0.035594566600  0.508857706000
 -0.049692457100  0.003535396150
  0.001421884340  0.005778377630
 -0.000765323055 -0.006809260440
    4    1
  4.247815450000
         49.11481000
         11.09001000
          3.13902000
          0.89691000
  0.042311631200
  0.230671413000
  0.518471734000
  0.431267241000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mg.EMB-AIMP.Pascual.0s.0s.ECP.MgO.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
M.A. Nygren, L.G.M. Pettersson, Z. Barandiaran, L. Seijo. J. Chem. Phys. 100 (1994) 2010-2018. doi:10.1063/1.466553
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: MG(MGO)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.4415117000e5  4.9413575500e4  1.0760508000e4  2.8494975900e3  8.7247693200e2  3.0388481500e2  1.0956899700e2 39.554938300000 12.910963800000  4.685792000000  1.833400000000
  1.084900000000
  0.031575047700  0.040468796350  0.076223426000  0.132364756500  0.223980631500  0.363503941000  0.531840945000  0.484401123000  0.910411490000  1.563187350000  0.623163230000
  0.018879258300
M2
  0
COREREP
 1.0
PROJOP
    1
   10    2
 97.658114200000  7.205325290000
       1878.63820000
        284.11346000
         64.18707000
         17.11882000
         25.86957000
          2.40558000
          0.82946000
          0.90918000
          0.10146000
          0.03698000
  0.018908808000 -0.005220389990
  0.130555433000 -0.036044063600
  0.453961273000 -0.125330739000
  0.526658627000 -0.145401203000
 -0.006366326590 -0.091012608300
  0.041698831400  0.596123896000
  0.035594566600  0.508857706000
 -0.049692457100  0.003535396150
  0.001421884340  0.005778377630
 -0.000765323055 -0.006809260440
    4    1
  4.247815450000
         49.11481000
         11.09001000
          3.13902000
          0.89691000
  0.042311631200
  0.230671413000
  0.518471734000
  0.431267241000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mg.EMB-AIMP.Pascual.0s.0s.ECP.MgO-065.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
M.A. Nygren, L.G.M. Pettersson, Z. Barandiaran, L. Seijo. J. Chem. Phys. 100 (1994) 2010-2018. doi:10.1063/1.466553
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: MG(MGO)0.65
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.4415117000e5  4.9413575500e4  1.0760508000e4  2.8494975900e3  8.7247693200e2  3.0388481500e2  1.0956899700e2 39.554938300000 12.910963800000  4.685792000000  1.833400000000
  1.084900000000
  0.031575047700  0.040468796350  0.076223426000  0.132364756500  0.223980631500  0.363503941000  0.531840945000  0.484401123000  0.910411490000  1.563187350000  0.623163230000
  0.018879258300
M2
  0
COREREP
 1.0
PROJOP
    1
   10    2
 63.477774200000  4.683461440000
       1878.63820000
        284.11346000
         64.18707000
         17.11882000
         25.86957000
          2.40558000
          0.82946000
          0.90918000
          0.10146000
          0.03698000
  0.018908808000 -0.005220389990
  0.130555433000 -0.036044063600
  0.453961273000 -0.125330739000
  0.526658627000 -0.145401203000
 -0.006366326590 -0.091012608300
  0.041698831400  0.596123896000
  0.035594566600  0.508857706000
 -0.049692457100  0.003535396150
  0.001421884340  0.005778377630
 -0.000765323055 -0.006809260440
    4    1
  2.761080040000
         49.11481000
         11.09001000
          3.13902000
          0.89691000
  0.042311631200
  0.230671413000
  0.518471734000
  0.431267241000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Pascual.8s6p.1s1p.ECP.MgO.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
M.A. Nygren, L.G.M. Pettersson, Z. Barandiaran, L. Seijo. J. Chem. Phys. 100 (1994) 2010-2018. doi:10.1063/1.466553
********************************************************************************
* with orthogonality-functions
* O-MGO-(8/6)                   (8/6)
********************************************************************************
    -2.0   1
* s-type functions
    8    1
       2048.04780000
        309.09891000
         70.41409800
         19.70116900
          6.03144700
         10.22971600
          0.93409200
          0.28624700
 -0.001415897820
 -0.010488741000
 -0.045447911700
 -0.111154683000
 -0.092968722700
 -0.076441871700
  0.456406313000
  0.646949516000
* p-type functions
    6    1
         34.97117600
          7.84509200
          2.30331600
          0.72198200
          0.21552700
          0.05900000
  0.012957434600
  0.081763613200
  0.256447185000
  0.402444089000
  0.546474632000
 -0.095506230300
********************************************************************************
* External AIMP: O(MGO)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.1307183000e5  4.1494012000e4  8.4771830000e3  2.1111860000e3  6.2311433000e2  2.1108500000e2 82.336219000000 33.330630000000 11.591936000000  3.551241600000  1.240000000000
  0.426000000000
 -0.020363416250 -0.027113564200 -0.055159605000 -0.091442923500 -0.168910012500 -0.240961361500 -0.391563494000 -0.412984849500 -0.485633673000 -0.877403505000 -1.515899210000
 -0.712564385000
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.568926800000  2.122071280000
       2048.04780000
        309.09891000
         70.41409800
         19.70116900
          6.03144700
         10.22971600
          0.93409200
          0.28624700
  0.006180236860 -0.001415897820
  0.045782190500 -0.010488741000
  0.198375092000 -0.045447911700
  0.485177860000 -0.111154683000
  0.405798159000 -0.092968722700
 -0.002033410510 -0.076441871700
  0.017967843900  0.456406313000
 -0.002742634110  0.646949516000
    6    1
  0.682504637000
         34.97117600
          7.84509200
          2.30331600
          0.72198200
          0.21552700
          0.05900000
  0.012957434600
  0.081763613200
  0.256447185000
  0.402444089000
  0.546474632000
 -0.095506230300
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Pascual.0s.0s.ECP.MgO.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
M.A. Nygren, L.G.M. Pettersson, Z. Barandiaran, L. Seijo. J. Chem. Phys. 100 (1994) 2010-2018. doi:10.1063/1.466553
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: O(MGO)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.1307183000e5  4.1494012000e4  8.4771830000e3  2.1111860000e3  6.2311433000e2  2.1108500000e2 82.336219000000 33.330630000000 11.591936000000  3.551241600000  1.240000000000
  0.426000000000
 -0.020363416250 -0.027113564200 -0.055159605000 -0.091442923500 -0.168910012500 -0.240961361500 -0.391563494000 -0.412984849500 -0.485633673000 -0.877403505000 -1.515899210000
 -0.712564385000
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.568926800000  2.122071280000
       2048.04780000
        309.09891000
         70.41409800
         19.70116900
          6.03144700
         10.22971600
          0.93409200
          0.28624700
  0.006180236860 -0.001415897820
  0.045782190500 -0.010488741000
  0.198375092000 -0.045447911700
  0.485177860000 -0.111154683000
  0.405798159000 -0.092968722700
 -0.002033410510 -0.076441871700
  0.017967843900  0.456406313000
 -0.002742634110  0.646949516000
    6    1
  0.682504637000
         34.97117600
          7.84509200
          2.30331600
          0.72198200
          0.21552700
          0.05900000
  0.012957434600
  0.081763613200
  0.256447185000
  0.402444089000
  0.546474632000
 -0.095506230300
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Pascual.0s.0s.ECP.MgO-065.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
M.A. Nygren, L.G.M. Pettersson, Z. Barandiaran, L. Seijo. J. Chem. Phys. 100 (1994) 2010-2018. doi:10.1063/1.466553
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: O(MGO)0.65
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.1307183000e5  4.1494012000e4  8.4771830000e3  2.1111860000e3  6.2311433000e2  2.1108500000e2 82.336219000000 33.330630000000 11.591936000000  3.551241600000  1.240000000000
  0.426000000000
 -0.020363416250 -0.027113564200 -0.055159605000 -0.091442923500 -0.168910012500 -0.240961361500 -0.391563494000 -0.412984849500 -0.485633673000 -0.877403505000 -1.515899210000
 -0.712564385000
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 26.369802000000  1.379346000000
       2048.04780000
        309.09891000
         70.41409800
         19.70116900
          6.03144700
         10.22971600
          0.93409200
          0.28624700
  0.006180236860 -0.001415897820
  0.045782190500 -0.010488741000
  0.198375092000 -0.045447911700
  0.485177860000 -0.111154683000
  0.405798159000 -0.092968722700
 -0.002033410510 -0.076441871700
  0.017967843900  0.456406313000
 -0.002742634110  0.646949516000
    6    1
  0.444362800000
         34.97117600
          7.84509200
          2.30331600
          0.72198200
          0.21552700
          0.05900000
  0.012957434600
  0.081763613200
  0.256447185000
  0.402444089000
  0.546474632000
 -0.095506230300
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.3.2. CaO
********************************************************************************
*           E.3.2.a. CaO (a=4.8105 A)
*             /Ca.EMB-AIMP.Pascual.13s7p.1s1p.ECP.CaO.
*             /Ca.EMB-AIMP.Pascual.0s.0s.ECP.CaO.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.CaO.
********************************************************************************

/Ca.EMB-AIMP.Pascual.13s7p.1s1p.ECP.CaO.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
From a SCEI calculation on CaO
********************************************************************************
* with orthogonality-functions
* CA-CAO-(13/7)                 (A3/7)
********************************************************************************
     2.0   1
* s-type functions
   13    1
       5603.50670000
        844.70992000
        190.98313000
         51.12694200
         76.45090400
          8.05219280
          3.24880240
          5.30383180
          0.83027800
          0.34249394
          0.41315384
          0.06262624
          0.02511185
  0.001929149180
  0.013487850400
  0.048413568100
  0.059533077800
  0.042579839800
 -0.257073099000
 -0.189693521000
 -0.232826120000
  0.763747247000
  0.432365190000
  0.012474449600
  0.000090550048
 -0.006666565400
* p-type functions
    7    1
        207.63786000
         48.08815400
         14.48652000
          4.73530290
          1.84293090
          0.69911487
          0.26415017
 -0.010860704500
 -0.067450300200
 -0.179353451000
 -0.162650817000
  0.321088974000
  0.611855287000
  0.240748901000
********************************************************************************
* External AIMP: CA(CAO)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2615117000e5  4.5013575500e4  9.8555080000e3  2.6494975900e3  8.4547693200e2  2.9288481500e2 96.618997000000 34.804938300000 15.230963800000  4.595792000000  1.658400000000
  0.717900000000
  0.066717394500  0.087597259500  0.161847241000  0.282855664000  0.462121406000  0.677932710000  0.731415850000  1.274464665000  1.779450850000  0.618228960000  2.151431645000
  0.705936355000
M2
  0
COREREP
 1.0
PROJOP
    1
   13    3
  2.9793514000e2 33.217524000000  4.028685150000
       5603.50670000
        844.70992000
        190.98313000
         51.12694200
         76.45090400
          8.05219300
          3.24880200
          5.30383200
          0.83027800
          0.34249400
          0.41315400
          0.06262600
          0.02511200
  0.017573268300 -0.005595436970  0.001929149180
  0.122865363000 -0.039121088900  0.013487850400
  0.441015465000 -0.140422043000  0.048413568100
  0.542306817000 -0.172673834000  0.059533077800
 -0.002999475570 -0.105768483000  0.042579839800
  0.018109144700  0.638570551000 -0.257073099000
  0.013362687200  0.471199425000 -0.189693521000
  0.008457646840 -0.004164332880 -0.232826120000
 -0.027743899600  0.013660399400  0.763747247000
 -0.015706107600  0.007733292900  0.432365190000
  0.034219984300 -0.006527958060  0.012474449600
 -0.002681226720 -0.001644918860  0.000090550048
  0.001370514170  0.000749413825 -0.006666565400
    7    2
 26.842447400000  2.226809730000
        207.63786000
         48.08815400
         14.48652000
          4.73530300
          1.84293100
          0.69911500
          0.26415000
  0.030184988800 -0.010860704500
  0.187463580000 -0.067450300200
  0.498474284000 -0.179353451000
  0.452052910000 -0.162650817000
  0.012870173800  0.321088974000
  0.023826266800  0.611855287000
 -0.008051553920  0.240748901000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ca.EMB-AIMP.Pascual.0s.0s.ECP.CaO.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
From a SCEI calculation on CaO
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: CA(CAO)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2615117000e5  4.5013575500e4  9.8555080000e3  2.6494975900e3  8.4547693200e2  2.9288481500e2 96.618997000000 34.804938300000 15.230963800000  4.595792000000  1.658400000000
  0.717900000000
  0.066717394500  0.087597259500  0.161847241000  0.282855664000  0.462121406000  0.677932710000  0.731415850000  1.274464665000  1.779450850000  0.618228960000  2.151431645000
  0.705936355000
M2
  0
COREREP
 1.0
PROJOP
    1
   13    3
  2.9793514000e2 33.217524000000  4.028685150000
       5603.50670000
        844.70992000
        190.98313000
         51.12694200
         76.45090400
          8.05219300
          3.24880200
          5.30383200
          0.83027800
          0.34249400
          0.41315400
          0.06262600
          0.02511200
  0.017573268300 -0.005595436970  0.001929149180
  0.122865363000 -0.039121088900  0.013487850400
  0.441015465000 -0.140422043000  0.048413568100
  0.542306817000 -0.172673834000  0.059533077800
 -0.002999475570 -0.105768483000  0.042579839800
  0.018109144700  0.638570551000 -0.257073099000
  0.013362687200  0.471199425000 -0.189693521000
  0.008457646840 -0.004164332880 -0.232826120000
 -0.027743899600  0.013660399400  0.763747247000
 -0.015706107600  0.007733292900  0.432365190000
  0.034219984300 -0.006527958060  0.012474449600
 -0.002681226720 -0.001644918860  0.000090550048
  0.001370514170  0.000749413825 -0.006666565400
    7    2
 26.842447400000  2.226809730000
        207.63786000
         48.08815400
         14.48652000
          4.73530300
          1.84293100
          0.69911500
          0.26415000
  0.030184988800 -0.010860704500
  0.187463580000 -0.067450300200
  0.498474284000 -0.179353451000
  0.452052910000 -0.162650817000
  0.012870173800  0.321088974000
  0.023826266800  0.611855287000
 -0.008051553920  0.240748901000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Pascual.0s.0s.ECP.CaO.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
From a SCEI calculation on CaO
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: O(CAO)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.1307183000e5  4.1494012000e4  8.4771830000e3  2.1111860000e3  6.2311433000e2  2.1108500000e2 82.336219000000 33.330630000000 11.591936000000  3.551241600000  1.240000000000
  0.426000000000
 -0.020354479600 -0.027126974600 -0.055099448500 -0.091540413000 -0.168651040000 -0.241401034500 -0.390732873500 -0.413750433000 -0.483634741500 -0.880937335000 -1.498910735000
 -0.727860495000
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.368670600000  1.903863150000
       2048.04780000
        309.09891000
         70.41409800
         19.70116900
          6.03144700
         10.22971600
          0.93409200
          0.28624700
  0.006180125520 -0.001426576460
  0.045781365700 -0.010567846600
  0.198371518000 -0.045790678000
  0.485169119000 -0.111993008000
  0.405790848000 -0.093669889100
 -0.002013290160 -0.077351755600
  0.017990227800  0.467745148000
 -0.002797488780  0.636851515000
    6    1
  0.472039938000
         34.97117600
          7.84509200
          2.30331600
          0.72198200
          0.21552700
          0.05900000
  0.013000431800
  0.082034933200
  0.257298166000
  0.392908154000
  0.559920262000
 -0.103929650000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.3.3. SrO
********************************************************************************
*           E.3.3.a. SrO (a=5.1602 A)
*             /Sr.EMB-AIMP.Pascual.16s10p.1s1p.ECP.SrO.
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrO.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.SrO.
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrO-QR.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.SrO-QR.
********************************************************************************

/Sr.EMB-AIMP.Pascual.16s10p.1s1p.ECP.SrO.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
From a SCEI calculation on SrO
********************************************************************************
* with orthogonalization-functions
* SR-SRO-(16/10)
********************************************************************************
     2.0   1
* s-type functions
   16    1
      21292.43700000
       3209.02450000
        727.79000000
        196.09466000
        293.31126000
         33.28018200
         14.11378100
         25.92426000
          4.44925600
          1.97425200
          3.13399600
          0.60337400
          0.26182100
          0.32926300
          0.05169900
          0.02142700
 -0.000813869235
 -0.005717232340
 -0.020981034600
 -0.027019470800
 -0.020611955600
  0.120063989000
  0.080088274400
  0.122469256000
 -0.384302750000
 -0.190298489000
 -0.298547037000
  0.824376052000
  0.434712381000
  0.016049563400
 -0.000211473214
 -0.006346409950
* p-type functions
   10    1
        931.80639000
        218.89504000
         68.13056800
         23.38244400
         10.69231200
          4.34943500
          1.83771600
          0.94718400
          0.39328800
          0.15840100
  0.004000160190
  0.026424904500
  0.075913422900
  0.070530283800
 -0.158211011000
 -0.266859036000
 -0.093871952800
  0.461639962000
  0.597185957000
  0.127136949000
********************************************************************************
* External AIMP: SR(SRO)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.9647693200e2  3.2488481500e2  1.0756899700e2 39.754938300000 11.810963800000  5.645792000000  1.393400000000
  0.394900000000  0.585000000000  0.514000000000
  0.164952414000  0.214660643500  0.392361601500  0.633912120000  0.880362215000  1.197007315000  2.579702535000  1.773227260000  4.396854135000  2.370573185000  2.059977630000
  0.455325369000  3.203882125000 -2.322798555000
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.1654566300e3  1.6018494800e2 26.448564900000  3.312566130000
      21292.43700000
       3209.02450000
        727.79000000
        196.09466000
        293.31126000
         33.28018200
         14.11378100
         25.92426000
          4.44925600
          1.97425200
          3.13399600
          0.60337400
          0.26182100
          0.32926300
          0.05169900
          0.02142700
  0.016682394300 -0.005544675990  0.003022742450 -0.000813869235
  0.117122694000 -0.039013904100  0.021209746200 -0.005717232340
  0.430074484000 -0.142939041000  0.077927145100 -0.020981034600
  0.554301916000 -0.184254049000  0.100430421000 -0.027019470800
 -0.005696363270 -0.116423212000  0.055800333600 -0.020611955600
  0.006093658030  0.666272446000 -0.330768129000  0.120063989000
 -0.034532294100  0.435794966000 -0.228053846000  0.080088274400
  0.065158284500  0.012022161600 -0.259897158000  0.122469256000
  0.045344810600  0.026421895400  0.868554958000 -0.384302750000
  0.031573426500  0.011944320000  0.420796857000 -0.190298489000
 -0.106712302000 -0.022357972800 -0.026623272300 -0.298547037000
 -0.027686264000 -0.009331620570  0.000846835672  0.824376052000
 -0.016288732300 -0.005187671440  0.000095186685  0.434712381000
  0.034318577700  0.010371352100  0.003377479080  0.016049563400
 -0.000632010008 -0.000321668770 -0.000870353474 -0.000211473214
  0.000365949056  0.000182203521  0.000402660695 -0.006346409950
   10    3
  1.4546350300e2 20.909142700000  1.723027360000
        931.80639000
        218.89504000
         68.13056800
         23.38244400
         10.69231200
          4.34943500
          1.83771600
          0.94718400
          0.39328800
          0.15840100
  0.025934061800 -0.012078531200  0.004000160190
  0.171319416000 -0.079790313400  0.026424904500
  0.492166141000 -0.229221483000  0.075913422900
  0.457265873000 -0.212967031000  0.070530283800
  0.014627498000  0.363153833000 -0.158211011000
  0.024672619000  0.612541953000 -0.266859036000
  0.008678990100  0.215471472000 -0.093871952800
 -0.017952544100 -0.000766788241  0.461639962000
  0.010946605600  0.004022987680  0.597185957000
 -0.003713533110 -0.000755907755  0.127136949000
    4    1
 10.876257300000
         81.91937400
         23.07403500
          7.64995800
          2.49433600
  0.054225125900
  0.270632963000
  0.535763141000
  0.393180302000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrO.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
From a SCEI calculation on SrO
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: SR(SRO)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.9647693200e2  3.2488481500e2  1.0756899700e2 39.754938300000 11.810963800000  5.645792000000  1.393400000000
  0.394900000000  0.585000000000  0.514000000000
  0.164952414000  0.214660643500  0.392361601500  0.633912120000  0.880362215000  1.197007315000  2.579702535000  1.773227260000  4.396854135000  2.370573185000  2.059977630000
  0.455325369000  3.203882125000 -2.322798555000
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.1654566300e3  1.6018494800e2 26.448564900000  3.312566130000
      21292.43700000
       3209.02450000
        727.79000000
        196.09466000
        293.31126000
         33.28018200
         14.11378100
         25.92426000
          4.44925600
          1.97425200
          3.13399600
          0.60337400
          0.26182100
          0.32926300
          0.05169900
          0.02142700
  0.016682394300 -0.005544675990  0.003022742450 -0.000813869235
  0.117122694000 -0.039013904100  0.021209746200 -0.005717232340
  0.430074484000 -0.142939041000  0.077927145100 -0.020981034600
  0.554301916000 -0.184254049000  0.100430421000 -0.027019470800
 -0.005696363270 -0.116423212000  0.055800333600 -0.020611955600
  0.006093658030  0.666272446000 -0.330768129000  0.120063989000
 -0.034532294100  0.435794966000 -0.228053846000  0.080088274400
  0.065158284500  0.012022161600 -0.259897158000  0.122469256000
  0.045344810600  0.026421895400  0.868554958000 -0.384302750000
  0.031573426500  0.011944320000  0.420796857000 -0.190298489000
 -0.106712302000 -0.022357972800 -0.026623272300 -0.298547037000
 -0.027686264000 -0.009331620570  0.000846835672  0.824376052000
 -0.016288732300 -0.005187671440  0.000095186685  0.434712381000
  0.034318577700  0.010371352100  0.003377479080  0.016049563400
 -0.000632010008 -0.000321668770 -0.000870353474 -0.000211473214
  0.000365949056  0.000182203521  0.000402660695 -0.006346409950
   10    3
  1.4546350300e2 20.909142700000  1.723027360000
        931.80639000
        218.89504000
         68.13056800
         23.38244400
         10.69231200
          4.34943500
          1.83771600
          0.94718400
          0.39328800
          0.15840100
  0.025934061800 -0.012078531200  0.004000160190
  0.171319416000 -0.079790313400  0.026424904500
  0.492166141000 -0.229221483000  0.075913422900
  0.457265873000 -0.212967031000  0.070530283800
  0.014627498000  0.363153833000 -0.158211011000
  0.024672619000  0.612541953000 -0.266859036000
  0.008678990100  0.215471472000 -0.093871952800
 -0.017952544100 -0.000766788241  0.461639962000
  0.010946605600  0.004022987680  0.597185957000
 -0.003713533110 -0.000755907755  0.127136949000
    4    1
 10.876257300000
         81.91937400
         23.07403500
          7.64995800
          2.49433600
  0.054225125900
  0.270632963000
  0.535763141000
  0.393180302000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Pascual.0s.0s.ECP.SrO.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
From a SCEI calculation on SrO
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: O(SRO)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.9307183000e5  3.8794012000e4  7.9471830000e3  2.0011860000e3  6.0811433000e2  2.2208500000e2 95.036219000000 37.930630000000 12.391936000000  3.481241600000  1.160000000000
  0.446000000000
 -0.020891640050 -0.028530558150 -0.055061354500 -0.096215714500 -0.156877146500 -0.222135609000 -0.326847601500 -0.473393188000 -0.475453263000 -1.009369920000 -1.365017415000
 -0.770206590000
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.356445600000  1.848845300000
       2048.04780000
        309.09891000
         70.41409800
         19.70116900
          6.03144700
         10.22971600
          0.93409200
          0.28624700
  0.006180400670 -0.001431668540
  0.045783403900 -0.010605567900
  0.198380349000 -0.045954125200
  0.485190719000 -0.112392760000
  0.405808915000 -0.094004238400
 -0.002012039640 -0.077648235700
  0.017872069400  0.472935685000
 -0.002790183560  0.632210892000
    6    1
  0.426984166000
         34.97117600
          7.84509200
          2.30331600
          0.72198200
          0.21552700
          0.05900000
  0.013002412000
  0.082047428700
  0.257337357000
  0.379130482000
  0.569897293000
 -0.090695387200
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrO-QR.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
From a SCEI calculation on SrO. QR-Sr
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: SRQR(SROQR)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.4905117000e5  5.0983575500e4  1.1650508000e4  3.1194975900e3  9.5157693000e2  2.9098481500e2  1.0136899700e2 40.164938300000 12.730963800000  6.078792000000  1.425400000000
  0.677620000000  0.296050000000
  0.161401691500  0.204880678500  0.378720143500  0.685305230000  0.989461015000  1.208046050000  2.738557045000  1.333595815000  4.061341115000  2.810104795000  2.066387200000
  1.315361590000  0.046837631050
M2
  0
COREREP
 1.0
PROJOP
    2
    9    4
  1.1930116000e3  1.6740647000e2 28.921460000000  3.422223260000
      11125.17870000
       1502.48058000
        315.68731900
         30.08629600
         11.43877900
          6.79745800
          3.00864600
          0.59752300
          0.26082900
  0.054223570000  0.017338352100  0.007105407070 -0.002347557490
  0.282451746000  0.109820483000  0.045898568700 -0.016314667000
  0.715144396000  0.346218226000  0.150925034000 -0.053563013800
  0.238185400000 -0.803293647000 -0.624885789000  0.235966336000
 -0.368287954000 -0.304096695000 -0.325524469000  0.171054996000
  0.305598152000  0.018675326700  0.526159683000 -0.307426548000
 -0.086855620500 -0.005582938510  0.834094541000 -0.629131671000
  0.021215306800  0.000470596009  0.068230799500  0.845112827000
 -0.009644185120 -0.000283274478 -0.022324416900  0.402106921000
    8    3
  1.4851263000e2 22.621603000000  1.738538680000
        724.67814200
        166.37890200
         50.89586600
          7.41356700
          3.48146400
          0.91538400
          0.41927500
          0.18924800
  0.061374524200  0.019642770300  0.005955574630
  0.190391006000  0.111936562000  0.037633523400
  0.741320997000  0.290721977000  0.093236637000
  0.342563119000 -0.449713116000 -0.217530749000
 -0.194842703000 -0.552336918000 -0.213338974000
  0.090599801200 -0.118575698000  0.409013735000
 -0.066969803200  0.051101211100  0.551689598000
  0.023189119400 -0.015140745100  0.176636895000
    6    1
 12.181990000000
        125.92000000
         38.42000000
         14.76000000
          6.13600000
          2.61300000
          1.04700000
  0.024974681000
  0.129197730000
  0.321038711000
  0.431093431000
  0.299029611000
  0.069082032100
Spectral Representation Operator
Core primitive basis
Exchange
1stOrder Relativistic Correction
SRQR(SROQR)
End of Spectral Representation Operator

/O.EMB-AIMP.Pascual.0s.0s.ECP.SrO-QR.
J.L. Pascual, L. Seijo, Z. Barandiaran. J. Chem. Phys. 98 (1993) 9715-9724. doi:10.1063/1.464350
From a SCEI calculation on SrO. QR-Sr
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: O(SROQR)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.9307183000e5  3.8794012000e4  7.9471830000e3  2.0011860000e3  6.0811433000e2  2.2208500000e2 95.036219000000 37.930630000000 12.391936000000  3.481241600000  1.160000000000
  0.446000000000
 -0.020929560800 -0.028460346800 -0.055046924000 -0.096302906000 -0.156490063500 -0.222870742000 -0.325543193000 -0.474632963500 -0.473614668000 -1.011332155000 -1.358076030000
 -0.776700445000
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.368632700000  1.857771110000
       2048.04780000
        309.09891000
         70.41409800
         19.70116900
          6.03144700
         10.22971600
          0.93409200
          0.28624700
  0.006180459080 -0.001430676110
  0.045783836600 -0.010598216100
  0.198382224000 -0.045922269700
  0.485195304000 -0.112314849000
  0.405812750000 -0.093939074400
 -0.002014500390 -0.077543421800
  0.017847551900  0.471839591000
 -0.002775810140  0.633190861000
    6    1
  0.433909385000
         34.97117600
          7.84509200
          2.30331600
          0.72198200
          0.21552700
          0.05900000
  0.012993335800
  0.081990156000
  0.257157725000
  0.379950924000
  0.563841786000
 -0.078285755800
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.3.4. NiO
********************************************************************************
*           E.3.4.a. NiO (a=4.164 A)
*             /Ni.EMB-AIMP.Seijo.14s11p6d.1s1p1d.ECP.NiO.
*             /Ni.EMB-AIMP.Seijo.0s.0s.ECP.NiO.
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.NiO.
********************************************************************************

/Ni.EMB-AIMP.Seijo.14s11p6d.1s1p1d.ECP.NiO.
L. Seijo. Unpublished.
From a SCEI calculation in NiO with a=4.164 A
********************************************************************************
* with orthogonalization functions
* Ni-(NiO)-(A4/A1/6)
********************************************************************************
     2.0   2
* s-type functions
   14    1
     284878.00000000
      41997.90000000
       9627.67000000
       2761.96000000
        920.48800000
        341.80500000
        138.02300000
         59.25870000
         20.37120000
          8.59400000
          2.39417000
          0.91816900
          0.13017600
          0.04639200
 -0.000042073623
 -0.000323440978
 -0.001648760100
 -0.006476708350
 -0.019656270800
 -0.042915095600
 -0.098430427000
 -0.046659242300
  0.325721307000
  0.482987745000
 -0.694473773000
 -0.578591938000
 -0.006265764390
  0.004824870790
* p-type functions
   11    1
       1774.18000000
        423.40300000
        138.31100000
         53.17030000
         22.38740000
          9.92848000
          4.11625000
          1.71031000
          0.67252800
          0.21988200
          0.06667100
 -0.001184395230
 -0.009382819170
 -0.041779039900
 -0.113324542000
 -0.172688975000
 -0.116918291000
  0.415635188000
  0.520417638000
  0.248385942000
 -0.009898753240
 -0.000271272253
* d-type functions
    6    1
         48.94030000
         13.71690000
          4.63951000
          1.57433000
          0.48640900
          0.13160000
 -0.026583707800
 -0.143410557000
 -0.357769945000
 -0.461376392000
 -0.327801279000
 -0.050569939800
********************************************************************************
* External AIMP: Ni(NiO)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.3347693200e2  3.1228481500e2 99.468997000000 40.244938300000 15.860963800000  4.959792000000  1.946400000000
  0.624200000000
  0.107107181000  0.140217676500  0.248521387500  0.423988200500  0.697780245000  0.852866985000  1.317214315000  2.160730815000  0.989432965000  3.351858710000  2.264383430000
  0.445898090500
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.1127960000e2 75.726800000000  9.579000000000
     284878.00000000
      41997.90000000
       9627.67000000
       2761.96000000
        920.48800000
        341.80500000
        138.02300000
         59.25870000
         20.37120000
          8.59400000
          2.39417000
          0.91816900
          0.13017600
          0.04639200
 -0.000320002320  0.000110873116 -0.000042073623
 -0.002460017840  0.000852337079 -0.000323440978
 -0.012540090900  0.004344840230 -0.001648760100
 -0.049260357200  0.017067530300 -0.006476708350
 -0.149501084000  0.051798533900 -0.019656270800
 -0.326402367000  0.113090578000 -0.042915095600
 -0.404749299000  0.237428856000 -0.098430427000
 -0.191864408000  0.112549045000 -0.046659242300
 -0.014209333900 -0.550309398000  0.325721307000
  0.002009315180 -0.574638395000  0.482987745000
 -0.000538529417 -0.057703393900 -0.694473773000
  0.000254760994  0.011382431200 -0.578591938000
 -0.000060904626 -0.002703985820 -0.006265764390
  0.000029018855  0.001288879060  0.004824870790
   11    2
 65.850400000000  6.362600000000
       1774.18000000
        423.40300000
        138.31100000
         53.17030000
         22.38740000
          9.92848000
          4.11625000
          1.71031000
          0.67252800
          0.21988200
          0.06667100
 -0.002951963350 -0.001184395230
 -0.023385553700 -0.009382819170
 -0.104129256000 -0.041779039900
 -0.282447856000 -0.113324542000
 -0.434921550000 -0.172688975000
 -0.294461672000 -0.116918291000
 -0.048612987600  0.415635188000
  0.000903161806  0.520417638000
 -0.001238334700  0.248385942000
  0.000296723818 -0.009898753240
 -0.000069347869 -0.000271272253
    6    1    8
  0.791120000000
         48.94030000
         13.71690000
          4.63951000
          1.57433000
          0.48640900
          0.13160000
 -0.026583707800
 -0.143410557000
 -0.357769945000
 -0.461376392000
 -0.327801279000
 -0.050569939800
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ni.EMB-AIMP.Seijo.0s.0s.ECP.NiO.
L. Seijo. Unpublished.
From a SCEI calculation in NiO with a=4.164 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Ni(NiO)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.3347693200e2  3.1228481500e2 99.468997000000 40.244938300000 15.860963800000  4.959792000000  1.946400000000
  0.624200000000
  0.107107181000  0.140217676500  0.248521387500  0.423988200500  0.697780245000  0.852866985000  1.317214315000  2.160730815000  0.989432965000  3.351858710000  2.264383430000
  0.445898090500
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.1127960000e2 75.726800000000  9.579000000000
     284878.00000000
      41997.90000000
       9627.67000000
       2761.96000000
        920.48800000
        341.80500000
        138.02300000
         59.25870000
         20.37120000
          8.59400000
          2.39417000
          0.91816900
          0.13017600
          0.04639200
 -0.000320002320  0.000110873116 -0.000042073623
 -0.002460017840  0.000852337079 -0.000323440978
 -0.012540090900  0.004344840230 -0.001648760100
 -0.049260357200  0.017067530300 -0.006476708350
 -0.149501084000  0.051798533900 -0.019656270800
 -0.326402367000  0.113090578000 -0.042915095600
 -0.404749299000  0.237428856000 -0.098430427000
 -0.191864408000  0.112549045000 -0.046659242300
 -0.014209333900 -0.550309398000  0.325721307000
  0.002009315180 -0.574638395000  0.482987745000
 -0.000538529417 -0.057703393900 -0.694473773000
  0.000254760994  0.011382431200 -0.578591938000
 -0.000060904626 -0.002703985820 -0.006265764390
  0.000029018855  0.001288879060  0.004824870790
   11    2
 65.850400000000  6.362600000000
       1774.18000000
        423.40300000
        138.31100000
         53.17030000
         22.38740000
          9.92848000
          4.11625000
          1.71031000
          0.67252800
          0.21988200
          0.06667100
 -0.002951963350 -0.001184395230
 -0.023385553700 -0.009382819170
 -0.104129256000 -0.041779039900
 -0.282447856000 -0.113324542000
 -0.434921550000 -0.172688975000
 -0.294461672000 -0.116918291000
 -0.048612987600  0.415635188000
  0.000903161806  0.520417638000
 -0.001238334700  0.248385942000
  0.000296723818 -0.009898753240
 -0.000069347869 -0.000271272253
    6    1    8
  0.791120000000
         48.94030000
         13.71690000
          4.63951000
          1.57433000
          0.48640900
          0.13160000
 -0.026583707800
 -0.143410557000
 -0.357769945000
 -0.461376392000
 -0.327801279000
 -0.050569939800
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.NiO.
L. Seijo. Unpublished.
From a SCEI calculation in NiO with a=4.164 A
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: O(NiO)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.9307183000e5  3.8794012000e4  7.9471830000e3  2.0011860000e3  5.6051433000e2  1.7108500000e2 58.436219000000 20.810630000000  6.321936000000  2.115241600000  0.737000000000
  0.306300000000
 -0.021058004500 -0.028734414900 -0.054978173000 -0.099307414500 -0.183962968000 -0.324207005000 -0.470509308000 -0.460618866000 -0.599855370000 -1.286411805000 -1.300709395000
 -0.169647281500
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.429600000000  2.067200000000
       2048.04780000
        309.09891000
         70.41409800
         19.70116900
         10.22971600
          6.03144700
          0.93409200
          0.28624700
  0.006202192820  0.001310165320
  0.045640204400  0.009512376250
  0.200063394000  0.046548317700
  0.473807651000  0.112456427000
  0.029027548300  0.073310690500
  0.380695800000  0.092728173700
  0.024604329400 -0.449306627000
 -0.005599792230 -0.652956840000
    6    1
  0.616600000000
         34.97117600
          7.84509200
          2.30331600
          0.72198200
          0.21552700
          0.05900000
  0.013122417600
  0.085478987600
  0.247842074000
  0.435082565000
  0.519625394000
 -0.108263213000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.3.5. LiF
********************************************************************************
*           E.3.5.a. LiF (a=4.028 A)
*             /Li.EMB-AIMP.Seijo.4s.1s.ECP.LiF.
*             /Li.EMB-AIMP.Seijo.0s.0s.ECP.LiF.
*             /F.EMB-AIMP.Seijo.0s.0s.ECP.LiF.
********************************************************************************

/Li.EMB-AIMP.Seijo.4s.1s.ECP.LiF.
L. Seijo. Unpublished.
From a SCEI calculation in LiF with a=4.028 A
     1.0   0
* s-type functions
    4    1
         96.61565000
         14.54249000
          3.18319990
          0.80449111
  0.022129957100
  0.147756036000
  0.473459958000
  0.508595312000
********************************************************************************
* External AIMP: Li(LiF)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  2.1107400000e5  2.0128400000e4  3.2441100000e3  6.5920100000e2  1.5877200000e2 43.994400000000 14.739200000000  5.277110000000  1.902730000000
  0.012201520500  0.021135386200  0.045178148700  0.089656853000  0.171062570000  0.307181477000  0.484164908000  0.614049760000  0.255369377000
M2
  0
COREREP
 1.0
PROJOP
    0
    4    1
  4.648600000000
         96.61565000
         14.54249000
          3.18319990
          0.80449111
  0.022129957100
  0.147756036000
  0.473459958000
  0.508595312000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Li.EMB-AIMP.Seijo.0s.0s.ECP.LiF.
L. Seijo. Unpublished.
From a SCEI calculation in LiF with a=4.028 A
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Li(LiF)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  2.1107400000e5  2.0128400000e4  3.2441100000e3  6.5920100000e2  1.5877200000e2 43.994400000000 14.739200000000  5.277110000000  1.902730000000
  0.012201520500  0.021135386200  0.045178148700  0.089656853000  0.171062570000  0.307181477000  0.484164908000  0.614049760000  0.255369377000
M2
  0
COREREP
 1.0
PROJOP
    0
    4    1
  4.648600000000
         96.61565000
         14.54249000
          3.18319990
          0.80449111
  0.022129957100
  0.147756036000
  0.473459958000
  0.508595312000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Seijo.0s.0s.ECP.LiF.
L. Seijo. Unpublished.
From a SCEI calculation in LiF with a=4.028 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(LiF)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1880000000e5  2.1530000000e4  3.6350000000e3  8.1870000000e2  2.3170000000e2 71.240000000000 23.100000000000  7.426000000000  2.446000000000  0.844200000000  0.289300000000
 -0.059403418400 -0.100427999000 -0.205445609000 -0.384381646000 -0.676243182000 -1.077657820000 -0.952928677000 -1.351901770000 -2.994396820000 -2.102421840000 -0.094791208300
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 51.781800000000  2.808000000000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120783335000 -0.027893401400
  0.458953566000 -0.125687330000
  0.521969667000 -0.216274463000
  0.063863451400  0.264335188000
 -0.024841931000  0.626965261000
  0.007063122270  0.243184333000
    4    1
  0.998600000000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
  0.159888674000
  0.435788678000
  0.571566054000
  0.078988860000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.3.6. NaF
********************************************************************************
*           E.3.6.a. NaF (a=4.634 A)
*             /Na.EMB-AIMP.Seijo.6s3p.1s1p.ECP.NaF.
*             /Na.EMB-AIMP.Seijo.0s.0s.ECP.NaF.
*             /F.EMB-AIMP.Seijo.0s.0s.ECP.NaF.
*             /F.EMB-AIMP.Seijo.0s.0s.ECP.co-NaF. (core of Shell Model)
*             /F.EMB-AIMP.Seijo.0s.0s.ECP.sh-NaF. (shell of Shell Model)
********************************************************************************

/Na.EMB-AIMP.Seijo.6s3p.1s1p.ECP.NaF.
L. Seijo. Unpublished.
From a SCEI calculation in NaF with a=4.634 A
     1.0   1
* s-type functions
    6    1
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
 -0.015686989300
 -0.072233276000
 -0.192074951000
 -0.123148927000
  0.655153432000
  0.469874999000
* p-type functions
    3    1
         10.47200000
          2.28460000
          0.58140000
  0.229793416000
  0.579673827000
  0.413242495000
********************************************************************************
* External AIMP: Na(NaF)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.9100000000e5  3.6290000000e4  7.1370000000e3  1.7527000000e3  5.2180000000e2  1.7101000000e2 60.520000000000 19.172000000000  7.841000000000  3.213600000000  1.129500000000
  0.063014213000  0.090107759600  0.176203154000  0.318188000000  0.538742845000  0.912387504000  1.026504800000  1.148873230000  1.519534040000  3.199174280000  1.007270180000
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 80.799460800000  5.435670330000
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
  0.061862668400 -0.015686989300
  0.272921213000 -0.072233276000
  0.500963387000 -0.192074951000
  0.299288435000 -0.123148927000
  0.018429799200  0.655153432000
 -0.003868252190  0.469874999000
    3    1
  2.743557580000
         10.47200000
          2.28460000
          0.58140000
  0.229793416000
  0.579673827000
  0.413242495000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Seijo.0s.0s.ECP.NaF.
L. Seijo. Unpublished.
From a SCEI calculation in NaF with a=4.634 A
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Na(NaF)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.9100000000e5  3.6290000000e4  7.1370000000e3  1.7527000000e3  5.2180000000e2  1.7101000000e2 60.520000000000 19.172000000000  7.841000000000  3.213600000000  1.129500000000
  0.063014213000  0.090107759600  0.176203154000  0.318188000000  0.538742845000  0.912387504000  1.026504800000  1.148873230000  1.519534040000  3.199174280000  1.007270180000
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 80.799460800000  5.435670330000
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
  0.061862668400 -0.015686989300
  0.272921213000 -0.072233276000
  0.500963387000 -0.192074951000
  0.299288435000 -0.123148927000
  0.018429799200  0.655153432000
 -0.003868252190  0.469874999000
    3    1
  2.743557580000
         10.47200000
          2.28460000
          0.58140000
  0.229793416000
  0.579673827000
  0.413242495000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Seijo.0s.0s.ECP.NaF.
L. Seijo. Unpublished.
From a SCEI calculation in NaF with a=4.634 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(NaF)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1880000000e5  2.1530000000e4  3.6350000000e3  8.1870000000e2  2.3170000000e2 71.240000000000 23.100000000000  7.426000000000  2.446000000000  0.844200000000  0.289300000000
 -0.059299201600 -0.100358963000 -0.204922312000 -0.384375140000 -0.674328072000 -1.078198560000 -0.946140000000 -1.353693570000 -2.973595500000 -2.069513780000 -0.155574902000
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 51.741224600000  2.736712650000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120785593000 -0.027945937400
  0.458975780000 -0.125759170000
  0.521972685000 -0.217279291000
  0.063839779400  0.271557093000
 -0.024910185900  0.614186596000
  0.007106943290  0.251405632000
    4    1
  0.928361749000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
  0.159228560000
  0.437340850000
  0.554788272000
  0.108150118000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Seijo.0s.0s.ECP.co-NaF.
L. Seijo. Unpublished. Core of F(-) in a shell-model.
From a SCEI calculation in NaF with a=4.634 A
     0.3   0
* s-type functions
    0    0
PP, F, 0, 0 ;
  0 ;
Spectral Representation Operator
End of Spectral Representation Operator

/F.EMB-AIMP.Seijo.0s.0s.ECP.sh-NaF.
L. Seijo. Unpublished. Shell of F(-) in a shell-model.
From a SCEI calculation in NaF with a=4.634 A
    -1.3   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(NaF)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1880000000e5  2.1530000000e4  3.6350000000e3  8.1870000000e2  2.3170000000e2 71.240000000000 23.100000000000  7.426000000000  2.446000000000  0.844200000000  0.289300000000
 -0.044286184914 -0.074950681852 -0.153041308439 -0.287061344287 -0.503605729649 -0.805226706497 -0.706601941748 -1.010973539955 -2.220758401792 -1.545566676624 -0.116187380134
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 51.741224600000  2.736712650000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120785593000 -0.027945937400
  0.458975780000 -0.125759170000
  0.521972685000 -0.217279291000
  0.063839779400  0.271557093000
 -0.024910185900  0.614186596000
  0.007106943290  0.251405632000
    4    1
  0.928361749000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
  0.159228560000
  0.437340850000
  0.554788272000
  0.108150118000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.3.7. KF
********************************************************************************
*           E.3.7.a. KF (a=5.348 A)
*             /K.EMB-AIMP.Seijo.10s7p.1s1p.ECP.KF.
*             /K.EMB-AIMP.Seijo.0s.0s.ECP.KF.
*             /F.EMB-AIMP.Seijo.0s.0s.ECP.KF.
********************************************************************************

/K.EMB-AIMP.Seijo.10s7p.1s1p.ECP.KF.
L. Seijo. Unpublished.
From a SCEI calculation in KF with a=5.348 A
     1.0   1
* s-type functions
   10    1
       4966.51240000
        749.95444000
        169.94574000
         45.60050400
         68.51191700
          7.15083800
          2.84798000
          4.61009100
          0.69029500
          0.26933700
  0.001685725860
  0.012790301600
  0.049049081500
  0.064207494900
  0.030763056300
 -0.271991881000
 -0.222904191000
 -0.160682750000
  0.772544629000
  0.431148794000
* p-type functions
    7    1
        180.01807000
         41.67905100
         12.52374500
          4.06833600
          1.55218900
          0.57918200
          0.21699500
 -0.009787472750
 -0.061599596000
 -0.172971345000
 -0.145968138000
  0.298976087000
  0.594712190000
  0.278173095000
********************************************************************************
* External AIMP: K(KF)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.2767183000e5  4.5224012000e4  9.8941830000e3  2.6721860000e3  8.4901433000e2  2.9148500000e2  1.0303621900e2 39.750630000000 16.926936000000  7.621041600000  1.938900000000
  0.909690000000  0.420060000000
  0.124759365000  0.164577734000  0.301026595000  0.527308563000  0.870209911000  1.312619420000  1.240354680000  1.946790410000  3.579249540000  1.531851620000  2.889819090000
  3.019826740000  0.491606330000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  2.6647343100e2 28.687552900000  3.218699640000
       4966.51240000
        749.95444000
        169.94574000
         45.60050400
         68.51191700
          7.15083800
          2.84798000
          4.61009100
          0.69029500
          0.26933700
  0.017803392500 -0.005125108200  0.001685725860
  0.126624900000 -0.038576700200  0.012790301600
  0.426646569000 -0.146879843000  0.049049081500
  0.445025057000 -0.189925702000  0.064207494900
  0.083404911300 -0.081284457900  0.030763056300
  0.174909560000  0.648809066000 -0.271991881000
  0.080149541500  0.467626768000 -0.222904191000
 -0.197506412000 -0.009709013020 -0.160682750000
 -0.010016835100  0.016756523900  0.772544629000
  0.003457996660 -0.001368972850  0.431148794000
    7    2
 22.746853300000  1.628305920000
        180.01807000
         41.67905100
         12.52374500
          4.06833600
          1.55218900
          0.57918200
          0.21699500
  0.031581435700 -0.009787472750
  0.192027834000 -0.061599596000
  0.506199842000 -0.172971345000
  0.436544921000 -0.145968138000
  0.023232154200  0.298976087000
  0.016024086900  0.594712190000
 -0.005320304700  0.278173095000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/K.EMB-AIMP.Seijo.0s.0s.ECP.KF.
L. Seijo. Unpublished.
From a SCEI calculation in KF with a=5.348 A
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: K(KF)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.2767183000e5  4.5224012000e4  9.8941830000e3  2.6721860000e3  8.4901433000e2  2.9148500000e2  1.0303621900e2 39.750630000000 16.926936000000  7.621041600000  1.938900000000
  0.909690000000  0.420060000000
  0.124759365000  0.164577734000  0.301026595000  0.527308563000  0.870209911000  1.312619420000  1.240354680000  1.946790410000  3.579249540000  1.531851620000  2.889819090000
  3.019826740000  0.491606330000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  2.6647343100e2 28.687552900000  3.218699640000
       4966.51240000
        749.95444000
        169.94574000
         45.60050400
         68.51191700
          7.15083800
          2.84798000
          4.61009100
          0.69029500
          0.26933700
  0.017803392500 -0.005125108200  0.001685725860
  0.126624900000 -0.038576700200  0.012790301600
  0.426646569000 -0.146879843000  0.049049081500
  0.445025057000 -0.189925702000  0.064207494900
  0.083404911300 -0.081284457900  0.030763056300
  0.174909560000  0.648809066000 -0.271991881000
  0.080149541500  0.467626768000 -0.222904191000
 -0.197506412000 -0.009709013020 -0.160682750000
 -0.010016835100  0.016756523900  0.772544629000
  0.003457996660 -0.001368972850  0.431148794000
    7    2
 22.746853300000  1.628305920000
        180.01807000
         41.67905100
         12.52374500
          4.06833600
          1.55218900
          0.57918200
          0.21699500
  0.031581435700 -0.009787472750
  0.192027834000 -0.061599596000
  0.506199842000 -0.172971345000
  0.436544921000 -0.145968138000
  0.023232154200  0.298976087000
  0.016024086900  0.594712190000
 -0.005320304700  0.278173095000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Seijo.0s.0s.ECP.KF.
L. Seijo. Unpublished.
From a SCEI calculation in KF with a=5.348 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(KF)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.7495117000e5  3.2663575500e4  6.1775080000e3  1.4809769300e3  4.2959759000e2  1.3958481500e2 49.404938300000 17.070963800000  6.156792000000  2.800997000000  1.343400000000
  0.496140000000
 -0.051396310300 -0.075240901900 -0.153676259000 -0.265283290000 -0.480800527000 -0.772995390000 -1.033646560000 -0.824399064000 -1.340745390000 -1.804304390000 -2.124216010000
 -1.073295920000
M2
  0
COREREP
 1.0
PROJOP
    1
    7    2
 52.093018800000  2.714532960000
       1040.66250000
        156.68433000
         35.11987900
          9.29325100
         13.98919800
          1.16228700
          0.32317700
  0.019039958600 -0.004259941420
  0.133781108000 -0.031921204200
  0.447609471000 -0.115892460000
  0.474704065000 -0.137828931000
  0.047920909100 -0.068966137700
  0.040500426600  0.595264678000
 -0.011507974800  0.523369443000
    5    1
  0.920137759000
         19.10617300
          4.14631700
          1.07208700
          0.23985000
          0.07400000
  0.052727701800
  0.259540966000
  0.512971603000
  0.485148885000
 -0.056466542500
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.3.8. NaCl
********************************************************************************
*           E.3.8.a. NaCl (a=5.64056 A)
*             /Na.EMB-AIMP.Barandiaran.6s3p.1s1p.ECP.NaCl.
*             /Na.EMB-AIMP.Barandiaran.0s.0s.ECP.NaCl.
*             /Cl.EMB-AIMP.Barandiaran.0s.0s.ECP.NaCl.
********************************************************************************

/Na.EMB-AIMP.Barandiaran.6s3p.1s1p.ECP.NaCl.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 89 (1988) 5739-5746. doi:10.1063/1.455549
From a SCEI calculation in NaCl with a=5.64056 A
     1.0   1
* s-type functions
    6    1
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
 -0.015687934800
 -0.072234210300
 -0.192101984000
 -0.123118173000
  0.655202715000
  0.469817729000
* p-type functions
    3    1
         10.47200000
          2.28460000
          0.58140000
 -0.229773907000
 -0.579372551000
 -0.413619164000
********************************************************************************
* External AIMP: Na(NaCl)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.9110000000e5  3.6300000000e4  7.1360000000e3  1.7527000000e3  5.2190000000e2  1.7101000000e2 60.520000000000 19.172000000000  7.842000000000  3.213600000000  1.129500000000
  0.062997488100  0.090108805300  0.176234386000  0.318073134000  0.538717889000  0.912422792000  1.026404010000  1.148628480000  1.518987710000  3.198619690000  1.008805620000
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 80.946800000000  5.579400000000
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
  0.061862832100 -0.015687934800
  0.272921753000 -0.072234210300
  0.500966383000 -0.192101984000
  0.299286851000 -0.123118173000
  0.018426813800  0.655202715000
 -0.003872783140  0.469817729000
    3    1
  2.889800000000
         10.47200000
          2.28460000
          0.58140000
 -0.229773907000
 -0.579372551000
 -0.413619164000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Barandiaran.0s.0s.ECP.NaCl.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 89 (1988) 5739-5746. doi:10.1063/1.455549
From a SCEI calculation in NaCl with a=5.64056 A
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Na(NaCl)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.9110000000e5  3.6300000000e4  7.1360000000e3  1.7527000000e3  5.2190000000e2  1.7101000000e2 60.520000000000 19.172000000000  7.842000000000  3.213600000000  1.129500000000
  0.062997488100  0.090108805300  0.176234386000  0.318073134000  0.538717889000  0.912422792000  1.026404010000  1.148628480000  1.518987710000  3.198619690000  1.008805620000
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 80.946800000000  5.579400000000
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
  0.061862832100 -0.015687934800
  0.272921753000 -0.072234210300
  0.500966383000 -0.192101984000
  0.299286851000 -0.123118173000
  0.018426813800  0.655202715000
 -0.003872783140  0.469817729000
    3    1
  2.889800000000
         10.47200000
          2.28460000
          0.58140000
 -0.229773907000
 -0.579372551000
 -0.413619164000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.EMB-AIMP.Barandiaran.0s.0s.ECP.NaCl.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 89 (1988) 5739-5746. doi:10.1063/1.455549
From a SCEI calculation in NaCl with a=5.64056 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Cl(NaCl)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.2080000000e5  2.2260000000e4  4.0020000000e3  9.5970000000e2  2.8200000000e2 82.920000000000 21.720000000000  7.909000000000  1.705000000000  0.644100000000  0.229900000000
 -0.141662298000 -0.232659302000 -0.465601654000 -0.839528820000 -1.342460890000 -1.611185780000 -3.390964080000 -3.254851720000 -2.016018620000 -3.942801350000 -0.762265484000
M2
  0
COREREP
 1.0
PROJOP
    1
    9    3
  2.0829880000e2 20.858000000000  1.955400000000
       1364.96150000
        206.03730000
         44.78080200
         59.37822900
          5.18049520
          2.02243360
          3.42519800
          0.45919951
          0.14963825
  0.064966549500  0.019601267000  0.005634234980
  0.380296908000  0.114740606000  0.032981313600
  0.671048925000  0.202464333000  0.058196831300
 -0.023898297200  0.097374370600  0.033387677900
  0.162440879000 -0.661870517000 -0.226941848000
  0.033393074600 -0.414844233000 -0.171750324000
 -0.139348437000 -0.015782827000 -0.170441243000
 -0.000605300779 -0.012050503100  0.728737174000
 -0.000083280103  0.000729547752  0.458365990000
    6    2
 15.756600000000  0.782000000000
         63.76258100
         14.19345700
          3.79556670
          1.04115910
          0.35250026
          0.09954514
  0.101855563000  0.027731962300
  0.455650962000  0.124058961000
  0.579397055000  0.162159712000
  0.066704182400 -0.227374396000
 -0.000142879527 -0.664364107000
 -0.000421895749 -0.281088925000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.3.9. KCl
********************************************************************************
*           E.3.9.a. KCl (a=6.2933 A)
*             /K.EMB-AIMP.Pascual.10s7p.1s1p.ECP.KCl.
*             /K.EMB-AIMP.Pascual.0s.0s.ECP.KCl.
*             /Cl.EMB-AIMP.Pascual.0s.0s.ECP.KCl.
********************************************************************************

/K.EMB-AIMP.Pascual.10s7p.1s1p.ECP.KCl.
J.L. Pascual, Z. Barandiaran, L. Seijo, J. Mol. Struct. THEOCHEM 537 (2001) 151-161. doi:10.1016/s0166-1280(00)00672-2
From a SCEI calculation in KCl a=11.892173 b
********************************************************************************
*K-KCL-(10/7)                  (A0/7)
********************************************************************************
     1.0   1
* s-type functions
   10    1
       4966.51000000
        749.95400000
        169.94500000
         45.60050000
         68.51190000
          7.15083000
          2.84798000
          4.61009000
          0.69029400
          0.26933700
  0.001865441400
  0.012982895300
  0.046164266800
  0.055958091700
  0.040162611900
 -0.244848637000
 -0.181607450000
 -0.221137485000
  0.763281417000
  0.434022565000
* p-type functions
    7    1
        180.01800000
         41.67900000
         12.52370000
          4.06833000
          1.55218000
          0.57918100
          0.21699400
 -0.010530882000
 -0.064452314600
 -0.168129262000
 -0.149973027000
  0.301998424000
  0.591714326000
  0.280379360000
********************************************************************************
* External AIMP: K(KCl)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.7309433000e5  5.7611652000e4  1.3509863000e4  3.7840400000e3  1.1952953300e3  4.0914480000e2  1.5713621900e2 53.906830000000 20.015246000000  9.040131600000  2.113105000000
  0.985668000000  0.456523000000
  0.113992492000  0.136989783000  0.248657240000  0.427494190000  0.746892375000  1.130986660000  1.210314140000  1.810727040000  3.548945800000  2.124143890000  2.564864640000
  3.257095590000  0.678896161000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  2.6650280000e2 28.730000000000  3.242000000000
       4966.51000000
        749.95400000
        169.94500000
         45.60050000
         68.51190000
          7.15083000
          2.84798000
          4.61009000
          0.69029400
          0.26933700
 -0.018040274100  0.005652763210  0.001865441400
 -0.125554729000  0.039341484000  0.012982895300
 -0.446444485000  0.139889502000  0.046164266800
 -0.541158415000  0.169567290000  0.055958091700
  0.012731190900  0.104397816000  0.040162611900
 -0.077614840700 -0.636454200000 -0.244848637000
 -0.057567946700 -0.472066439000 -0.181607450000
  0.091530053100  0.002569184320 -0.221137485000
  0.018984566900 -0.012602061300  0.763281417000
 -0.008241842400 -0.000461362675  0.434022565000
    7    2
 22.797800000000  1.658000000000
        180.01800000
         41.67900000
         12.52370000
          4.06833000
          1.55218000
          0.57918100
          0.21699400
  0.031398272000 -0.010530882000
  0.192167314000 -0.064452314600
  0.501284538000 -0.168129262000
  0.447150951000 -0.149973027000
  0.012280365100  0.301998424000
  0.022691792700  0.591714326000
 -0.007789364400  0.280379360000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/K.EMB-AIMP.Pascual.0s.0s.ECP.KCl.
J.L. Pascual, Z. Barandiaran, L. Seijo, J. Mol. Struct. THEOCHEM 537 (2001) 151-161. doi:10.1016/s0166-1280(00)00672-2
From a SCEI calculation in KCl a=11.892173 b
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: K(KCl)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.7309433000e5  5.7611652000e4  1.3509863000e4  3.7840400000e3  1.1952953300e3  4.0914480000e2  1.5713621900e2 53.906830000000 20.015246000000  9.040131600000  2.113105000000
  0.985668000000  0.456523000000
  0.113992492000  0.136989783000  0.248657240000  0.427494190000  0.746892375000  1.130986660000  1.210314140000  1.810727040000  3.548945800000  2.124143890000  2.564864640000
  3.257095590000  0.678896161000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  2.6650280000e2 28.730000000000  3.242000000000
       4966.51000000
        749.95400000
        169.94500000
         45.60050000
         68.51190000
          7.15083000
          2.84798000
          4.61009000
          0.69029400
          0.26933700
 -0.018040274100  0.005652763210  0.001865441400
 -0.125554729000  0.039341484000  0.012982895300
 -0.446444485000  0.139889502000  0.046164266800
 -0.541158415000  0.169567290000  0.055958091700
  0.012731190900  0.104397816000  0.040162611900
 -0.077614840700 -0.636454200000 -0.244848637000
 -0.057567946700 -0.472066439000 -0.181607450000
  0.091530053100  0.002569184320 -0.221137485000
  0.018984566900 -0.012602061300  0.763281417000
 -0.008241842400 -0.000461362675  0.434022565000
    7    2
 22.797800000000  1.658000000000
        180.01800000
         41.67900000
         12.52370000
          4.06833000
          1.55218000
          0.57918100
          0.21699400
  0.031398272000 -0.010530882000
  0.192167314000 -0.064452314600
  0.501284538000 -0.168129262000
  0.447150951000 -0.149973027000
  0.012280365100  0.301998424000
  0.022691792700  0.591714326000
 -0.007789364400  0.280379360000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.EMB-AIMP.Pascual.0s.0s.ECP.KCl.
J.L. Pascual, Z. Barandiaran, L. Seijo, J. Mol. Struct. THEOCHEM 537 (2001) 151-161. doi:10.1016/s0166-1280(00)00672-2
From a SCEI calculation in KCl a=11.892173 b
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Cl(KCl)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.4937920000e5  4.9517170000e4  1.0869770000e4  2.8904000000e3  8.9168400000e2  3.1300330000e2  1.0501430000e2 35.858350000000 16.140950000000  6.676881000000  1.423646000000
  0.579525900000  0.209282200000
 -0.103642794000 -0.133672683000 -0.248137327000 -0.447204836000 -0.724557934000 -1.157816320000 -1.383554790000 -1.483137550000 -3.166102530000 -2.608418010000 -2.425921470000
 -3.514414090000 -0.603419668000
M2
  0
COREREP
 1.0
PROJOP
    1
    9    3
  2.0850320000e2 20.937000000000  1.971800000000
       1364.96150000
        206.03730000
         44.78080200
         59.37822900
          5.18049520
          2.02243360
          3.42519800
          0.45919951
          0.14963825
  0.065452012500 -0.019526779600  0.005722512950
  0.383138680000 -0.114304577000  0.033498069400
  0.676063342000 -0.201694943000  0.059108667300
 -0.030237652500 -0.098264167100  0.033076162200
  0.205530578000  0.667918618000 -0.224824422000
  0.132327411000  0.430028185000 -0.144749428000
 -0.262276127000 -0.001591859980 -0.193810946000
 -0.031850858300  0.005215980080  0.720547774000
  0.012167660600  0.002013242310  0.460473312000
    6    2
 15.828000000000  0.797400000000
         63.76258100
         14.19345700
          3.79556670
          1.04115910
          0.35250026
          0.09954514
  0.099725537400  0.027433180300
  0.446122289000  0.122722359000
  0.596100576000  0.163979408000
  0.051682610000 -0.232378834000
  0.008182600620 -0.655730539000
 -0.003082715930 -0.288382278000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.3.10. MnO
********************************************************************************
*           E.3.10.a. MnO (a=4.267 A)
*             /Mn.EMB-AIMP.Pascual.0s.0s.ECP.MnO.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.MnO.
********************************************************************************

/Mn.EMB-AIMP.Pascual.0s.0s.ECP.MnO.
J.L. Pascual. Unpublished.
From a SCEI calculation on MnO (rocksalt structure, a=4.267 A)
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2177300000e5  4.4387200000e4  9.8038600000e3  2.6335100000e3  8.1679400000e2  2.7702000000e2 88.313000000000 34.365300000000 14.286700000000  3.807910000000  1.505970000000
  0.476170000000
  0.091866865550  0.120067327600  0.222329093800  0.397901264900  0.644438064100  0.783129382200  1.125497879000  2.076285405000  0.969821713000  2.800341407000  1.885862381000
  0.382459217800
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  4.8116814940e2 58.241890720000  7.502230431000
     243694.00000000
      35995.00000000
       8223.56000000
       2353.12000000
        780.96500000
        288.51900000
        115.70100000
         49.11750000
         16.08850000
          6.70430000
          1.80517000
          0.70301100
          0.10638500
          0.03961600
  0.000289996230 -0.000098047683  0.000036654887
  0.002249970752 -0.000760714782  0.000284391363
  0.011519850251 -0.003894859682  0.001456083778
  0.045589407374 -0.015413771954  0.005762400993
  0.140388175066 -0.047465221422  0.017744757082
  0.314715908945 -0.106405402706  0.039779399877
  0.409738715618 -0.232094688747  0.094242324946
  0.210789339252 -0.119400691758  0.048482793174
  0.017166567339  0.523405324049 -0.298896015987
 -0.002849330860  0.597361628290 -0.496471971088
  0.000831509498  0.055277070063  0.694518864308
 -0.000402754160 -0.010858690829  0.575170446929
  0.000104978840  0.002572472784  0.001244400097
 -0.000049770548 -0.001228038931 -0.003295564937
   11    2
 49.690674430000  4.823422536000
       1500.39000000
        358.80000000
        116.69900000
         44.61320000
         18.59850000
          8.13778000
          3.33734000
          1.37895000
          0.53863900
          0.19147500
          0.06042000
 -0.002581420523 -0.000954477759
 -0.020491276092 -0.007576629654
 -0.092981166370 -0.034379696960
 -0.260907910307 -0.103939366930
 -0.429166194874 -0.170969375940
 -0.326189923302 -0.129946133435
 -0.060745544891  0.351372720579
  0.000212222753  0.559039340473
  0.000101960853  0.268586319826
 -0.000526622104 -0.009618631952
  0.000224685639 -0.002058030215
    6    1    5
  0.084618974840
         37.89770000
         10.52010000
          3.53764000
          1.21217000
          0.38791200
          0.10540000
  0.022581364800
  0.122543039449
  0.324781705104
  0.440647501509
  0.388297417743
  0.069841532934
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Pascual.0s.0s.ECP.MnO.
J.L. Pascual. Unpublished.
From a SCEI calculation on MnO (rocksalt structure, a=4.267 A)
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.5513483000e5  2.7955012000e4  4.9982130000e3  1.1551260000e3  3.2705923000e2  1.0423580000e2 35.898179000000 11.555450000000  3.638688000000  1.381175600000  0.540328600000
  0.071544000000
 -0.023501671410 -0.036978741400 -0.075237925370 -0.135515371100 -0.239160809000 -0.404242131100 -0.506379116800 -0.462249284700 -0.863000485900 -1.279462611000 -0.964782864300
 -0.009488988173
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.468283920000  2.093341120000
       2048.04780000
        309.09891000
         70.41409800
         19.70116900
          6.03144700
         10.22971600
          0.93409200
          0.28624700
  0.006202463547 -0.001307175004
  0.045642310225 -0.009474356297
  0.200073427801 -0.046499433926
  0.473839210695 -0.111278576657
  0.380676389375 -0.089341426206
  0.029047743232 -0.075918533280
  0.024431579208  0.442506351526
 -0.005453534381  0.658572373311
    6    1
  0.633336164300
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
  0.013115558873
  0.084742749288
  0.249143099781
  0.424087205073
  0.533971867955
 -0.114167400497
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.3.11. CoO
********************************************************************************
*           E.3.11.a. CoO (a=4.4.03145 A)
*             /Co.EMB-AIMP.Sousa.0s.0s.ECP.Co(CoO).
*             /Co.EMB-AIMP.Sousa.22s16p.1s1p.ECP.Co(CoO).
*             /O.EMB-AIMP.Sousa.0s.0s.ECP.O(CoO).
*             /O.EMB-AIMP.Sousa.11s6p.1s1p.ECP.O(CoO).
********************************************************************************

/Co.EMB-AIMP.Sousa.0s.0s.ECP.Co(CoO).
C. Sousa, C. de Graaf, N. Lopez, N.M. Harrison, F. Illas. J. Phys. Condens. Matter 16 (2004) S2557-S2574. doi:10.1088/0953-8984/16/26/027
From a SCEI calculation with a = 4.031450
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8180800000e5  5.9383800000e4  1.4190720000e4  3.9953400000e3  1.2747770000e3  4.4735000000e2  1.5292470000e2 56.851200000000 25.855760000000  6.513130000000  2.688002000000
  0.907398000000
  0.091606912320  0.108819831600  0.196419710100  0.346160718700  0.571401072600  0.760998034200  0.904971769500  1.761510334000  1.652610413000  2.044074669000  3.119803652000
  0.941622884100
M2
  0
COREREP
 1.0
PROJOP
    2
   22    3
  5.6603091820e2 69.661344590000  8.848145242000
      66148.99000000
       9933.07700000
       2262.81600000
        637.91540000
        204.41220000
         69.82538000
       1378.84100000
        328.26940000
        106.09460000
         39.83275000
         16.18622000
          6.66778800
         54.52355000
         18.29783000
          7.86734800
          3.34053400
          1.39375600
          0.55132600
          2.15194700
          0.81106300
          0.12101700
          0.04303700
  0.001747751232 -0.000536297405  0.000200115256
  0.013389391897 -0.004108534438  0.001533068057
  0.066038536832 -0.020263922731  0.007561327065
  0.229215033094 -0.070334624935  0.026244824865
  0.476013051992 -0.146064588453  0.054502878865
  0.349005697356 -0.107092386099  0.039960701008
  0.000079651479 -0.002473747848  0.001067502695
  0.001061710224 -0.032973692580  0.014229221348
  0.004233124756 -0.131468786168  0.056733059370
 -0.000866326314  0.026905625378 -0.011610652889
 -0.020726690594  0.643711917487 -0.277782639488
 -0.015308336627  0.475433291139 -0.205164936248
 -0.011021062713  0.001992432862  0.004366729532
  0.041542864018 -0.011330303911 -0.080951261147
  0.012257675419  0.018538771115 -0.275435595299
  0.004213143533 -0.083105030447  0.304632825561
 -0.002380825434 -0.078796679829  0.738989008306
 -0.000868745183 -0.010376584138  0.210410305041
 -0.000121037657  0.136004048233  0.046793473750
  0.002062529211  0.033811020904  0.036447485356
  0.000051545557  0.000258772574 -0.011941229034
 -0.000016389172 -0.000092112859  0.001097899345
   16    2
 60.176067680000  5.818731030000
       1378.84100000
        328.26940000
        106.09460000
         39.83275000
         16.18622000
          6.66778800
         54.52355000
         18.29783000
          7.86734800
          3.34053400
          1.39375600
          0.55132600
          2.15194700
          0.81106300
          0.12101700
          0.04303700
  0.003957959020 -0.001493846265
  0.030975843622 -0.011691164074
  0.135281416645 -0.051059052900
  0.346498135083 -0.130778247654
  0.461057792711 -0.174016319550
  0.204464203101 -0.077170603481
  0.000364249900 -0.007780668293
 -0.001292187281 -0.031733943939
  0.005637110865  0.072055233176
 -0.019927346581  0.424917600641
 -0.020751466482  0.511223085748
 -0.002657772507  0.176554664023
  0.038918539644  0.015444334688
  0.009010876695  0.012489484066
  0.000076689644 -0.009354983591
 -0.000033830366  0.000879609801
    4    1    7
  0.489457069800
         25.59306000
          6.80099000
          2.05164700
          0.55567100
 -0.065630239512
 -0.286354016627
 -0.508462065727
 -0.457209506273
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Co.EMB-AIMP.Sousa.22s16p.1s1p.ECP.Co(CoO).
C. Sousa, C. de Graaf, N. Lopez, N.M. Harrison, F. Illas. J. Phys. Condens. Matter 16 (2004) S2557-S2574. doi:10.1088/0953-8984/16/26/027
From a SCEI calculation with a = 4.031450
     2.0   1
* s-type functions
   22    1
      66148.99000000
       9933.07700000
       2262.81600000
        637.91540000
        204.41220000
         69.82538000
       1378.84100000
        328.26940000
        106.09460000
         39.83275000
         16.18622000
          6.66778800
         54.52355000
         18.29783000
          7.86734800
          3.34053400
          1.39375600
          0.55132600
          2.15194700
          0.81106300
          0.12101700
          0.04303700
  0.000200115256
  0.001533068057
  0.007561327065
  0.026244824865
  0.054502878865
  0.039960701008
  0.001067502695
  0.014229221348
  0.056733059370
 -0.011610652889
 -0.277782639488
 -0.205164936248
  0.004366729532
 -0.080951261147
 -0.275435595299
  0.304632825561
  0.738989008306
  0.210410305041
  0.046793473750
  0.036447485356
 -0.011941229034
  0.001097899345
* p-type functions
   16    1
       1378.84100000
        328.26940000
        106.09460000
         39.83275000
         16.18622000
          6.66778800
         54.52355000
         18.29783000
          7.86734800
          3.34053400
          1.39375600
          0.55132600
          2.15194700
          0.81106300
          0.12101700
          0.04303700
 -0.001493846265
 -0.011691164074
 -0.051059052900
 -0.130778247654
 -0.174016319550
 -0.077170603481
 -0.007780668293
 -0.031733943939
  0.072055233176
  0.424917600641
  0.511223085748
  0.176554664023
  0.015444334688
  0.012489484066
 -0.009354983591
  0.000879609801
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8180800000e5  5.9383800000e4  1.4190720000e4  3.9953400000e3  1.2747770000e3  4.4735000000e2  1.5292470000e2 56.851200000000 25.855760000000  6.513130000000  2.688002000000
  0.907398000000
  0.091606912320  0.108819831600  0.196419710100  0.346160718700  0.571401072600  0.760998034200  0.904971769500  1.761510334000  1.652610413000  2.044074669000  3.119803652000
  0.941622884100
M2
  0
COREREP
 1.0
PROJOP
    2
   22    3
  5.6603091820e2 69.661344590000  8.848145242000
      66148.99000000
       9933.07700000
       2262.81600000
        637.91540000
        204.41220000
         69.82538000
       1378.84100000
        328.26940000
        106.09460000
         39.83275000
         16.18622000
          6.66778800
         54.52355000
         18.29783000
          7.86734800
          3.34053400
          1.39375600
          0.55132600
          2.15194700
          0.81106300
          0.12101700
          0.04303700
  0.001747751232 -0.000536297405  0.000200115256
  0.013389391897 -0.004108534438  0.001533068057
  0.066038536832 -0.020263922731  0.007561327065
  0.229215033094 -0.070334624935  0.026244824865
  0.476013051992 -0.146064588453  0.054502878865
  0.349005697356 -0.107092386099  0.039960701008
  0.000079651479 -0.002473747848  0.001067502695
  0.001061710224 -0.032973692580  0.014229221348
  0.004233124756 -0.131468786168  0.056733059370
 -0.000866326314  0.026905625378 -0.011610652889
 -0.020726690594  0.643711917487 -0.277782639488
 -0.015308336627  0.475433291139 -0.205164936248
 -0.011021062713  0.001992432862  0.004366729532
  0.041542864018 -0.011330303911 -0.080951261147
  0.012257675419  0.018538771115 -0.275435595299
  0.004213143533 -0.083105030447  0.304632825561
 -0.002380825434 -0.078796679829  0.738989008306
 -0.000868745183 -0.010376584138  0.210410305041
 -0.000121037657  0.136004048233  0.046793473750
  0.002062529211  0.033811020904  0.036447485356
  0.000051545557  0.000258772574 -0.011941229034
 -0.000016389172 -0.000092112859  0.001097899345
   16    2
 60.176067680000  5.818731030000
       1378.84100000
        328.26940000
        106.09460000
         39.83275000
         16.18622000
          6.66778800
         54.52355000
         18.29783000
          7.86734800
          3.34053400
          1.39375600
          0.55132600
          2.15194700
          0.81106300
          0.12101700
          0.04303700
  0.003957959020 -0.001493846265
  0.030975843622 -0.011691164074
  0.135281416645 -0.051059052900
  0.346498135083 -0.130778247654
  0.461057792711 -0.174016319550
  0.204464203101 -0.077170603481
  0.000364249900 -0.007780668293
 -0.001292187281 -0.031733943939
  0.005637110865  0.072055233176
 -0.019927346581  0.424917600641
 -0.020751466482  0.511223085748
 -0.002657772507  0.176554664023
  0.038918539644  0.015444334688
  0.009010876695  0.012489484066
  0.000076689644 -0.009354983591
 -0.000033830366  0.000879609801
    4    1    7
  0.489457069800
         25.59306000
          6.80099000
          2.05164700
          0.55567100
 -0.065630239512
 -0.286354016627
 -0.508462065727
 -0.457209506273
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Sousa.0s.0s.ECP.O(CoO).
C. Sousa, C. de Graaf, N. Lopez, N.M. Harrison, F. Illas. J. Phys. Condens. Matter 16 (2004) S2557-S2574. doi:10.1088/0953-8984/16/26/027
From a SCEI calculation with a = 4.031450
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.5153300000e5  2.7154100000e4  4.8064000000e3  1.1039700000e3  3.0906900000e2 98.759000000000 34.787700000000 11.365400000000  3.557530000000  1.340210000000  0.528670000000
  0.070160000000
 -0.023763770100 -0.037803108150 -0.077097786290 -0.139777017100 -0.248798978200 -0.408516134400 -0.494208791900 -0.458950830400 -0.900434207200 -1.260843561000 -0.942345732100
 -0.007460083020
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
 40.484588130000  2.079526814000
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
  0.000507946557  0.000106326524
  0.003928067255  0.000822498997
  0.020235978323  0.004284687927
  0.079163000278  0.017164843383
  0.230618724028  0.054117461719
  0.432836099338  0.123838653290
  0.349969578704  0.163024846002
  0.043935318435 -0.153040541875
 -0.008939315361 -0.435649821885
  0.003840258227 -0.589267602390
 -0.000715744612  0.054553393715
    6    1
  0.625622295500
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
  0.013423835994
  0.085677998750
  0.251835170397
  0.421912836195
  0.531065824512
 -0.106588371961
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Sousa.11s6p.1s1p.ECP.O(CoO).
C. Sousa, C. de Graaf, N. Lopez, N.M. Harrison, F. Illas. J. Phys. Condens. Matter 16 (2004) S2557-S2574. doi:10.1088/0953-8984/16/26/027
From a SCEI calculation with a = 4.031450
    -2.0   1
* s-type functions
   11    1
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
  0.000106326524
  0.000822498997
  0.004284687927
  0.017164843383
  0.054117461719
  0.123838653290
  0.163024846002
 -0.153040541875
 -0.435649821885
 -0.589267602390
  0.054553393715
* p-type functions
    6    1
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
  0.013423835994
  0.085677998750
  0.251835170397
  0.421912836195
  0.531065824512
 -0.106588371961
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.5153300000e5  2.7154100000e4  4.8064000000e3  1.1039700000e3  3.0906900000e2 98.759000000000 34.787700000000 11.365400000000  3.557530000000  1.340210000000  0.528670000000
  0.070160000000
 -0.023763770100 -0.037803108150 -0.077097786290 -0.139777017100 -0.248798978200 -0.408516134400 -0.494208791900 -0.458950830400 -0.900434207200 -1.260843561000 -0.942345732100
 -0.007460083020
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
 40.484588130000  2.079526814000
      15330.00000000
       2299.00000000
        522.40000000
        147.30000000
         47.55000000
         16.76000000
          6.20700000
          1.75200000
          0.68820000
          0.23840000
          0.07376000
  0.000507946557  0.000106326524
  0.003928067255  0.000822498997
  0.020235978323  0.004284687927
  0.079163000278  0.017164843383
  0.230618724028  0.054117461719
  0.432836099338  0.123838653290
  0.349969578704  0.163024846002
  0.043935318435 -0.153040541875
 -0.008939315361 -0.435649821885
  0.003840258227 -0.589267602390
 -0.000715744612  0.054553393715
    6    1
  0.625622295500
         34.46000000
          7.74900000
          2.28000000
          0.71560000
          0.21400000
          0.05974000
  0.013423835994
  0.085677998750
  0.251835170397
  0.421912836195
  0.531065824512
 -0.106588371961
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*    E.4. Fluorites
********************************************************************************
*         E.4.1. CaF2
********************************************************************************
*           E.4.1.a. CaF2 (a=5.46294 A)
*             /Ca.EMB-AIMP.Pascual.0s.0s.ECP.CaF2.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.CaF2.
********************************************************************************
*         E.4.2. SrF2
********************************************************************************
*           E.4.2.a. SrF2 (a=5.796 A)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2.
*           E.4.2.b. SrF2 (a=5.7647 A; Da/a=-.0054; P=0.4 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00054a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00054a.
*           E.4.2.c. SrF2 (a=5.7334 A; Da/a=-.0108; P=0.8 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00108a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00108a.
*           E.4.2.d. SrF2 (a=5.7021 A; Da/a=-.0162; P=1.2 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00162a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00162a.
*           E.4.2.e. SrF2 (a=5.6708 A; Da/a=-.0216; P=1.6 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00216a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00216a.
*           E.4.2.f. SrF2 (a=5.4825 A; Da/a=-.0541; P=4.0 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00541a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00541a.
*           E.4.2.g. SrF2 (a=5.1690 A; Da/a=-.1082; P=8.0 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-01082a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-01082a.
*           E.4.2.h. SrF2 (a=4.8555 A; Da/a=-.1623; P=12.0 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-01623a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-01623a.
********************************************************************************
*         E.4.3. BaF2
********************************************************************************
*           E.4.3.a. BaF2 (a=6.2001 A)
*             /Ba.EMB-AIMP.Pascual.0s.0s.ECP.BaF2.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.BaF2.
********************************************************************************
*         E.4.4. CdF2
********************************************************************************
*           E.4.4.a. CdF2
*             /Cd.EMB-AIMP.Pascual.0s.0s.ECP.CdF2.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.CdF2.
********************************************************************************

********************************************************************************
*         E.4.1. CaF2
********************************************************************************
*           E.4.1.a. CaF2 (a=5.46294 A)
*             /Ca.EMB-AIMP.Pascual.0s.0s.ECP.CaF2.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.CaF2.
********************************************************************************

/Ca.EMB-AIMP.Pascual.0s.0s.ECP.CaF2.
J.L. Pascual, L. Seijo. J. Chem. Phys. 102 (1995) 5368-5376. doi:10.1063/1.469264
From a SCEI calculation on CaF2
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: CA(CAF2)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.9885117000e5  6.8253575500e4  1.7273508000e4  5.1150975900e3  1.6742469300e3  6.1102481500e2  2.4644899700e2 90.600938300000 39.421963800000 19.033792000000  9.119400000000
  2.321600000000  1.141930000000  0.542190000000
  0.057441635500  0.063255265000  0.111552469500  0.187768986500  0.321025658500  0.466950633000  0.606586020000  0.653011295000  0.909311825000  1.669469775000  0.753139645000
  1.474926360000  1.567847730000  0.157712698500
M2
  0
COREREP
 1.0
PROJOP
    1
   13    3
  2.9721584300e2 32.544446900000  3.413177260000
       5603.50670000
        844.70992000
        190.98313000
         51.12694200
         76.45090400
          8.05219300
          3.24880200
          5.30383200
          0.83027800
          0.34249400
          0.41315400
          0.06262600
          0.02511200
  0.017671836800 -0.005600248710  0.001935723340
  0.123554514000 -0.039154730700  0.013533814300
  0.443489121000 -0.140542797000  0.048578552000
  0.545348616000 -0.172822323000  0.059735954900
 -0.013106210300 -0.105420944000  0.042541228500
  0.079127918700  0.636472305000 -0.256839985000
  0.058388270000  0.469651135000 -0.189521507000
 -0.088106010700 -0.000622517342 -0.234015273000
 -0.055292858300  0.007334664630  0.749271704000
 -0.114185338000 -0.028250157200  0.412710216000
  0.150358614000  0.034057801600  0.061357866000
  0.005055247190  0.001272159590 -0.046142835000
 -0.002004524870 -0.000475125058  0.019509449500
    7    2
 26.172048000000  1.602181850000
        207.63786000
         48.08815400
         14.48652000
          4.73530300
          1.84293100
          0.69911500
          0.26415000
  0.030349719900 -0.010913084600
  0.188486814000 -0.067775668200
  0.501195168000 -0.180218641000
  0.443740049000 -0.164361157000
  0.022184419100  0.313752913000
  0.018282310500  0.652022882000
 -0.006102217190  0.198183019000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Pascual.0s.0s.ECP.CaF2.
J.L. Pascual, L. Seijo. J. Chem. Phys. 102 (1995) 5368-5376. doi:10.1063/1.469264
From a SCEI calculation on CaF2
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(CAF2)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.7855117000e5  3.3473575500e4  6.3935080000e3  1.5489769300e3  4.5339759000e2  1.4778481500e2 52.484938300000 18.570963800000  6.742792000000  2.976997000000  1.296400000000
  0.555440000000
 -0.050894654400 -0.074862536700 -0.148378676000 -0.262110990000 -0.456111427000 -0.769374043000 -0.995770344000 -0.860572377000 -1.167494500000 -2.084572250000 -2.090388130000
 -1.039470070000
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 52.735643600000  3.344189150000
       2604.45710000
        392.64624000
         89.58306800
         25.10559100
          7.70235800
         13.37959100
          1.22116700
          0.37094400
  0.006176080140 -0.001513300710
  0.045761039300 -0.011212648100
  0.198451811000 -0.048625869400
  0.485898218000 -0.119057736000
  0.404469251000 -0.099105515000
 -0.001907343100 -0.081621949300
  0.017685419200  0.530800506000
 -0.002566484450  0.581501914000
    6    1
  1.559927500000
         44.32937800
         10.00597400
          2.94809100
          0.91794100
          0.26833400
          0.07400000
  0.015131824800
  0.095454874100
  0.291390473000
  0.438987410000
  0.442398007000
 -0.034133863600
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.4.2. SrF2
********************************************************************************
*           E.4.2.a. SrF2 (a=5.796 A)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2.
********************************************************************************
*   SrF2 at P=0, a=5.796 A (Wyckoff)
*   Delta.a/a=0, P=1 bar, K=24.65 GPa
*   J. Kudrnovsky, N.E. Christensen, J. Maek. Phys. Rev. B 43 (1991) 12597-12606. doi:10.1103/physrevb.43.12597
*   Oh5-Fm3m
********************************************************************************

/Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.796 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.9647693200e2  3.2488481500e2  1.0756899700e2 42.767238300000 14.904263800000  7.968302000000  2.861590000000
  1.181850000000  0.699950000000
  0.164571428700  0.215589714300  0.391465417300  0.635264746100  0.878657503800  1.202462958000  2.547698869000  1.579373807000  2.558681121000  3.896761721000  0.979701019500
  1.749367985000  1.200403708000
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.1649726720e3  1.5954105040e2 25.796800460000  2.690403194000
      21292.43700000
       3209.02450000
        727.79000000
        196.09466000
        293.31126000
         33.28018200
         14.11378100
         25.92426000
          4.44925600
          1.97425200
          3.13399600
          0.60337400
          0.26182100
          0.32926300
          0.05169900
          0.02142700
 -0.016540070992  0.005250978869  0.002142860983 -0.000763064708
 -0.119220440764  0.039946391571  0.016450218640 -0.005872250664
 -0.410933657867  0.157601878617  0.065769033416 -0.023471445957
 -0.442295591515  0.219110752175  0.094357748493 -0.033494715208
 -0.096697882686  0.087554548877  0.041692521608 -0.015533039435
 -0.361143223419 -0.724568939842 -0.416124615686  0.148709330646
 -0.121510119297 -0.468221715705 -0.300204329753  0.103322518043
  0.393641219753  0.069197364797 -0.137344500217  0.081090774473
  0.117812832429  0.032576318626  1.007264263760 -0.426516820575
  0.057034630953  0.034751277416  0.514085081263 -0.198247179075
 -0.140011248969 -0.071778824298 -0.218475158936 -0.254546414724
 -0.019741628451 -0.013779562908 -0.050900968393  0.749446237848
 -0.020139236288 -0.014457100861 -0.075465541291  0.304943558529
  0.031615692818  0.022607963215  0.113791619999  0.242601405149
  0.000865339704  0.000702134845  0.001745037235 -0.082006959391
 -0.000327693742 -0.000276403868 -0.000440837930  0.033319280315
   10    3
  1.4479039320e2 20.259239720000  1.100631266000
        931.80639000
        218.89504000
         68.13056800
         23.38244400
         10.69231200
          4.34943500
          1.83771600
          0.94718400
          0.39328800
          0.15840100
  0.026012874556 -0.010948541958 -0.003589577275
  0.171124831395 -0.075789149911 -0.024966363288
  0.494612703512 -0.235835657931 -0.078956159105
  0.452456388539 -0.206668717780 -0.066713171616
  0.014104686573  0.359482955096  0.146893716460
  0.042118532817  0.612241044398  0.298709827337
 -0.029902901362  0.219110731243  0.036440428703
  0.019371806379 -0.005294594191 -0.380903835677
 -0.007315739466  0.007133304575 -0.723730021213
  0.002079305601 -0.002268962193 -0.014717655000
    4    1
 10.213127850000
         81.91937400
         23.07403500
          7.64995800
          2.49433600
  0.054204437164
  0.270490258972
  0.535479963393
  0.393668701725
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.796 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1880000000e5  2.1530000000e4  3.6350000000e3  8.1870000000e2  2.3170000000e2 71.240000000000 23.100000000000  7.426000000000  2.449400000000  0.848069000000  0.294630000000
 -0.059313448510 -0.100377291600 -0.204980184800 -0.384426203300 -0.674525198900 -1.078262883000 -0.947054406100 -1.353051619000 -2.968972966000 -2.075454809000 -0.153580989400
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 52.245777780000  3.246108881000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120785128188 -0.027939732692
  0.458971539400 -0.125736568860
  0.521971834396 -0.217192664647
  0.063844205200  0.270975196475
 -0.024896508931  0.614989042158
  0.007099680953  0.251005940009
    4    1
  1.436874729000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
 -0.159340475584
 -0.437198087871
 -0.557064339401
 -0.104121209344
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*           E.4.2.b. SrF2 (a=5.7647 A; Da/a=-.0054; P=0.4 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00054a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00054a.
********************************************************************************

/Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00054a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.7647 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.9647693200e2  3.2488481500e2  1.0756899700e2 42.768538300000 14.909063800000  7.972672000000  2.870380000000
  1.190110000000  0.706780000000
  0.164573446200  0.215592379900  0.391469935500  0.635272192800  0.878668348100  1.202486993000  2.547735215000  1.579258728000  2.555956669000  3.897776929000  0.976375574000
  1.719003061000  1.235830528000
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.1649573370e3  1.5952600130e2 25.782141780000  2.676663438000
      21292.43700000
       3209.02450000
        727.79000000
        196.09466000
        293.31126000
         33.28018200
         14.11378100
         25.92426000
          4.44925600
          1.97425200
          3.13399600
          0.60337400
          0.26182100
          0.32926300
          0.05169900
          0.02142700
 -0.016540070345  0.005250976738  0.002142853357  0.000763222116
 -0.119220434797  0.039946373998  0.016450145681  0.005873603205
 -0.410933639643  0.157601809022  0.065768879360  0.023475381185
 -0.442295654374  0.219110749428  0.094358467764  0.033490848150
 -0.096697813034  0.087554424721  0.041691545827  0.015544342055
 -0.361143494223 -0.724566113391 -0.416140699113 -0.148519887791
 -0.121510182928 -0.468219642588 -0.300233171727 -0.102981393618
  0.393641498503  0.069193956052 -0.137310504707 -0.081508749916
  0.117812818710  0.032565652014  1.007421147430  0.424342356446
  0.057034500514  0.034739056334  0.514328357924  0.194494557220
 -0.140011137511 -0.071760866997 -0.218796927005  0.259208626904
 -0.019741363425 -0.013763011754 -0.051263962885 -0.741862127160
 -0.020138583990 -0.014420615075 -0.076335417256 -0.286347786471
  0.031614848475  0.022560068192  0.114922523024 -0.267362516607
  0.000865310954  0.000700143324  0.001786037070  0.082581638816
 -0.000327681136 -0.000275587670 -0.000457559063 -0.033544688570
   10    3
  1.4477530440e2 20.244558530000  1.086845838000
        931.80639000
        218.89504000
         68.13056800
         23.38244400
         10.69231200
          4.34943500
          1.83771600
          0.94718400
          0.39328800
          0.15840100
 -0.026012860673 -0.010948482134 -0.003591219426
 -0.171124698020 -0.075788731244 -0.024976332448
 -0.494612476458 -0.235834286930 -0.078994956608
 -0.452456543944 -0.206668512751 -0.066716584168
 -0.014104888618  0.359481469675  0.146878389431
 -0.042118697263  0.612233135990  0.299064776006
  0.029903000234  0.219120629584  0.035702678806
 -0.019371779897 -0.005299683375 -0.379489198970
  0.007315533631  0.007155691933 -0.726897260152
 -0.002079032482 -0.002292589315 -0.011544324548
    4    1
 10.198389240000
         81.91937400
         23.07403500
          7.64995800
          2.49433600
 -0.054203445655
 -0.270486738343
 -0.535470191698
 -0.393684380143
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00054a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.7647 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1880000000e5  2.1530000000e4  3.6350000000e3  8.1870000000e2  2.3170000000e2 71.240000000000 23.100000000000  7.426000000000  2.449800000000  0.849380000000  0.296972000000
 -0.059320723150 -0.100387677200 -0.205008070400 -0.384458823800 -0.674612727900 -1.078343588000 -0.947373832500 -1.353359296000 -2.968216465000 -2.077606965000 -0.151311831200
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 52.246527820000  3.249273811000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120784926769 -0.027935168328
  0.458969765687 -0.125724880280
  0.521971138288 -0.217121116083
  0.063848294845  0.270511245473
 -0.024894488282  0.615694289227
  0.007098515995  0.250611084924
    4    1
  1.440002984000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
  0.159395643811
  0.437084159331
  0.558393165747
  0.101822860627
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*           E.4.2.c. SrF2 (a=5.7334 A; Da/a=-.0108; P=0.8 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00108a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00108a.
********************************************************************************

/Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00108a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.7334 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.9647693200e2  3.2488481500e2  1.0756899700e2 42.769338300000 14.912963800000  7.976402000000  2.878470000000
  1.198600000000  0.713610000000
  0.164575524200  0.215594985300  0.391474794800  0.635279142300  0.878680534500  1.202509078000  2.547780591000  1.579171522000  2.553704956000  3.898535858000  0.973019528400
  1.687628947000  1.272044539000
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.1649419580e3  1.5951091520e2 25.767454710000  2.662889207000
      21292.43700000
       3209.02450000
        727.79000000
        196.09466000
        293.31126000
         33.28018200
         14.11378100
         25.92426000
          4.44925600
          1.97425200
          3.13399600
          0.60337400
          0.26182100
          0.32926300
          0.05169900
          0.02142700
 -0.016540069686  0.005250974573  0.002142845576 -0.000763385805
 -0.119220428711  0.039946356074  0.016450071735 -0.005875005472
 -0.410933621020  0.157601738704  0.065768718960 -0.023479500739
 -0.442295718145  0.219110751584  0.094359163673 -0.033487151128
 -0.096697742286  0.087554294786  0.041690578975 -0.015555852338
 -0.361143773038 -0.724563316103 -0.416156369999  0.148329485680
 -0.121510251007 -0.468217640457 -0.300261431745  0.102637485831
  0.393641787175  0.069190624057 -0.137277161240  0.081931408285
  0.117812816627  0.032555262998  1.007575000950 -0.422147544706
  0.057034381150  0.034727186529  0.514567696143 -0.190699293384
 -0.140011044551 -0.071743427475 -0.219113273137 -0.263923791601
 -0.019741107023 -0.013746762580 -0.051623311829  0.734155834938
 -0.020137941116 -0.014384432594 -0.077204775317  0.267280095351
  0.031614019406  0.022512691143  0.116050217495  0.292682414834
  0.000865282569  0.000698150060  0.001827308001 -0.083137735412
 -0.000327668561 -0.000274760253 -0.000474600937  0.033766603258
   10    3
  1.4476017760e2 20.229847890000  1.073030515000
        931.80639000
        218.89504000
         68.13056800
         23.38244400
         10.69231200
          4.34943500
          1.83771600
          0.94718400
          0.39328800
          0.15840100
  0.026012846463 -0.010948421069  0.003592888625
  0.171124561661 -0.075788303315  0.024986503040
  0.494612244267 -0.235832888504  0.079034323927
  0.452456703111 -0.206668295607  0.066720757706
  0.014105094190  0.359479927004 -0.146864912419
  0.042118868262  0.612225126953 -0.299420146194
 -0.029903108151  0.219130555561 -0.034970738033
  0.019371762266 -0.005304581000  0.378083892660
 -0.007315332769  0.007178302735  0.730081579453
  0.002078759280 -0.002316725813  0.008336300917
    4    1
 10.183620120000
         81.91937400
         23.07403500
          7.64995800
          2.49433600
 -0.054202433063
 -0.270483142267
 -0.535460213723
 -0.393700390332
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00108a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.7334 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1880000000e5  2.1530000000e4  3.6350000000e3  8.1870000000e2  2.3170000000e2 71.240000000000 23.100000000000  7.426000000000  2.450230000000  0.850707000000  0.299395000000
 -0.059327904350 -0.100397839800 -0.205035737700 -0.384490511200 -0.674699929500 -1.078421219000 -0.947691900000 -1.353648220000 -2.967410297000 -2.079718505000 -0.149157936900
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 52.247355460000  3.252484468000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120784727173 -0.027930763663
  0.458968017266 -0.125713964873
  0.521970448336 -0.217050853527
  0.063852338338  0.270049613249
 -0.024892512037  0.616408743769
  0.007097386200  0.250203564396
    4    1
  1.443169573000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
  0.159449802751
  0.436972296933
  0.559701363929
  0.099552597817
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*           E.4.2.d. SrF2 (a=5.7021 A; Da/a=-.0162; P=1.2 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00162a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00162a.
********************************************************************************

/Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00162a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.7021 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.9647693200e2  3.2488481500e2  1.0756899700e2 42.771938300000 14.919763800000  7.982052000000  2.889210000000
  1.208450000000  0.720810000000
  0.164577615400  0.215598008600  0.391479096500  0.635288212900  0.878689823800  1.202539155000  2.547801173000  1.578980678000  2.550038419000  3.900090456000  0.969191883000
  1.653806356000  1.311919123000
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.1649260970e3  1.5949536220e2 25.752320950000  2.648686746000
      21292.43700000
       3209.02450000
        727.79000000
        196.09466000
        293.31126000
         33.28018200
         14.11378100
         25.92426000
          4.44925600
          1.97425200
          3.13399600
          0.60337400
          0.26182100
          0.32926300
          0.05169900
          0.02142700
 -0.016540068994  0.005250972312  0.002142837414 -0.000763560783
 -0.119220422326  0.039946337275  0.016449994696 -0.005876500109
 -0.410933601450  0.157601665646  0.065768547476 -0.023483932451
 -0.442295784683  0.219110758996  0.094359854798 -0.033483531778
 -0.096697668380  0.087554155080  0.041689594322 -0.015567906989
 -0.361144068171 -0.724560470742 -0.416172049079  0.148132719816
 -0.121510325682 -0.468215656819 -0.300289875981  0.102280962778
  0.393642094449  0.069187279100 -0.137243564805  0.082370917827
  0.117812826687  0.032544874703  1.007729997790 -0.419869472927
  0.057034270044  0.034715355073  0.514809609361 -0.186752112776
 -0.140010968362 -0.071726044599 -0.219432809768 -0.268827695248
 -0.019740852565 -0.013730382749 -0.051988817993  0.726102990858
 -0.020137290470 -0.014347579772 -0.078097645711  0.247172381471
  0.031613183536  0.022464560115  0.117205789297  0.319310242428
  0.000865253863  0.000696104506  0.001869917415 -0.083689393132
 -0.000327655711 -0.000273900505 -0.000492403886  0.033991022906
   10    3
  1.4474458150e2 20.214688860000  1.058791240000
        931.80639000
        218.89504000
         68.13056800
         23.38244400
         10.69231200
          4.34943500
          1.83771600
          0.94718400
          0.39328800
          0.15840100
  0.026012831507  0.010948356958  0.003594633437
  0.171124418296  0.075787853426  0.024997174078
  0.494612000094  0.235831421366  0.079075400615
  0.452456870748  0.206668059235  0.066725872575
  0.014105309303 -0.359478279583 -0.146853068958
  0.042119050969 -0.612216784428 -0.299785822421
 -0.029903228533 -0.219140791402 -0.034224811590
  0.019371753271  0.005309411988  0.376649727100
 -0.007315131277 -0.007201792099  0.733372785066
  0.002078478114  0.002342095496  0.005001627019
    4    1
 10.168399850000
         81.91937400
         23.07403500
          7.64995800
          2.49433600
 -0.054201369427
 -0.270479364371
 -0.535449733741
 -0.393717206562
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00162a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.7021 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1880000000e5  2.1530000000e4  3.6350000000e3  8.1870000000e2  2.3170000000e2 71.240000000000 23.100000000000  7.426000000000  2.450640000000  0.852043000000  0.301925000000
 -0.059335156670 -0.100408213400 -0.205063508300 -0.384523161900 -0.674787097300 -1.078502083000 -0.948008777900 -1.353953550000 -2.966623887000 -2.081796594000 -0.146997971200
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 52.248288970000  3.255834695000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120784523902 -0.027926398046
  0.458966246251 -0.125703531187
  0.521969745270 -0.216979930446
  0.063856447726  0.269577431973
 -0.024890527663  0.617152527021
  0.007096261890  0.249771776796
    4    1
  1.446467301000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
  0.159504449078
  0.436859301756
  0.561025295512
  0.097247453035
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*           E.4.2.e. SrF2 (a=5.6708 A; Da/a=-.0216; P=1.6 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00216a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00216a.
********************************************************************************

/Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00216a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.6708 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.9647693200e2  3.2488481500e2  1.0756899700e2 42.773138300000 14.924063800000  7.986032000000  2.898040000000
  1.218470000000  0.728050000000
  0.164579829900  0.215600904300  0.391484101500  0.635296235400  0.878701931200  1.202564921000  2.547843111000  1.578875562000  2.547626758000  3.900936115000  0.965363644600
  1.618492554000  1.352634332000
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.1649099630e3  1.5947954670e2 25.736939890000  2.634241043000
      21292.43700000
       3209.02450000
        727.79000000
        196.09466000
        293.31126000
         33.28018200
         14.11378100
         25.92426000
          4.44925600
          1.97425200
          3.13399600
          0.60337400
          0.26182100
          0.32926300
          0.05169900
          0.02142700
 -0.016540068278  0.005250969982  0.002142828980 -0.000763745223
 -0.119220415719  0.039946317830  0.016449915593 -0.005878071143
 -0.410933581165  0.157601590779  0.065768367010 -0.023488632298
 -0.442295853169  0.219110771959  0.094360530469 -0.033480055041
 -0.096697592223  0.087554007033  0.041688605975 -0.015580359725
 -0.361144376240 -0.724557617891 -0.416187495604  0.147932197982
 -0.121510406241 -0.468213723883 -0.300318078053  0.101916454606
  0.393642416901  0.069183972134 -0.137210218598  0.082821685034
  0.117812849494  0.032534648828  1.007883818180 -0.417537487951
  0.057034169428  0.034703750696  0.515050505846 -0.182703170094
 -0.140010911162 -0.071708993953 -0.219750793104 -0.273858037985
 -0.019740604202 -0.013714125779 -0.052355135593  0.717802778757
 -0.020136641959 -0.014310608902 -0.079001463865  0.226255186131
  0.031612353753  0.022416401871  0.118372835898  0.346933753912
  0.000865225345  0.000694040235  0.001913195596 -0.084226921307
 -0.000327642812 -0.000273022194 -0.000510691634  0.034214466279
   10    3
  1.4472872120e2 20.199281190000  1.044314517000
        931.80639000
        218.89504000
         68.13056800
         23.38244400
         10.69231200
          4.34943500
          1.83771600
          0.94718400
          0.39328800
          0.15840100
  0.026012815979  0.010948290580  0.003596432268
  0.171124269603  0.075787386985  0.025008217512
  0.494611746801  0.235829903446  0.079117670961
  0.452457044886  0.206667805906  0.066731941104
  0.014105531438 -0.359476545020 -0.146843231559
  0.042119243356 -0.612208215728 -0.300156701002
 -0.029903360375 -0.219151196294 -0.033476044111
  0.019371753550  0.005314091632  0.375207939772
 -0.007314932059 -0.007225862082  0.736726406668
  0.002078192612  0.002368409938  0.001583419115
    4    1
 10.152928940000
         81.91937400
         23.07403500
          7.64995800
          2.49433600
 -0.054200267489
 -0.270475449879
 -0.535438877691
 -0.393734626888
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00216a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.6708 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1880000000e5  2.1530000000e4  3.6350000000e3  8.1870000000e2  2.3170000000e2 71.240000000000 23.100000000000  7.426000000000  2.451090000000  0.853417000000  0.304585000000
 -0.059342410000 -0.100418485800 -0.205091443300 -0.384555226200 -0.674875188800 -1.078580618000 -0.948328907800 -1.354242057000 -2.965768851000 -2.083861341000 -0.144935470100
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 52.249322460000  3.259283332000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120784319905 -0.027922137529
  0.458964478769 -0.125693753082
  0.521969039031 -0.216909370748
  0.063860563826  0.269101320413
 -0.024888566167  0.617915674449
  0.007095161190  0.249321238220
    4    1
  1.449855840000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
 -0.159558790028
 -0.436746685761
 -0.562346048312
 -0.094940371084
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*           E.4.2.f. SrF2 (a=5.4825 A; Da/a=-.0541; P=4.0 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00541a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00541a.
********************************************************************************

/Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00541a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.4825 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.9647693200e2  3.2488481500e2  1.0756899700e2 42.778138300000 14.941463800000  8.003782000000  2.943670000000
  1.291500000000  0.773110000000
  0.164594560200  0.215620660300  0.391516687200  0.635352092900  0.878779191900  1.202742663000  2.548125814000  1.578503846000  2.537725411000  3.903999164000  0.940392558700
  1.377492566000  1.625154784000
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.1648067520e3  1.5937851960e2 25.638873140000  2.541797269000
      21292.43700000
       3209.02450000
        727.79000000
        196.09466000
        293.31126000
         33.28018200
         14.11378100
         25.92426000
          4.44925600
          1.97425200
          3.13399600
          0.60337400
          0.26182100
          0.32926300
          0.05169900
          0.02142700
 -0.016540063407  0.005250954397  0.002142772364 -0.000765080023
 -0.119220370802  0.039946185992  0.016449395565 -0.005889335946
 -0.410933442525  0.157601099335  0.065767085346 -0.023523320995
 -0.442296310224  0.219110981481  0.094364238265 -0.033462915060
 -0.096697081994  0.087552922254  0.041682597706 -0.015664465822
 -0.361146527973 -0.724540331197 -0.416274753551  0.146644208098
 -0.121511025600 -0.468203325412 -0.300481589246  0.099546172015
  0.393644706011  0.069165031863 -0.137016136348  0.085787469631
  0.117813277338  0.032477165554  1.008778766390 -0.402302061123
  0.057033804781  0.034639613707  0.516470087351 -0.156043475929
 -0.140011000346 -0.071614637883 -0.221620516031 -0.306978687436
 -0.019739258621 -0.013620006375 -0.054564361022  0.662160251666
 -0.020132818427 -0.014087724914 -0.084658782425  0.081207817613
  0.031607536607  0.022128875011  0.125616489011  0.536571309071
  0.000865063384  0.000681543437  0.002182726849 -0.087026740871
 -0.000327566809 -0.000267477200 -0.000628732032  0.035503586044
   10    3
  1.4462738190e2 20.101029340000  0.951859655600
        931.80639000
        218.89504000
         68.13056800
         23.38244400
         10.69231200
          4.34943500
          1.83771600
          0.94718400
          0.39328800
          0.15840100
  0.026012709193 -0.010947838485 -0.003608492670
  0.171123250834 -0.075784193024 -0.025083336570
  0.494610010506 -0.235819594149 -0.079399073169
  0.452458244213 -0.206665846553 -0.066793021315
  0.014107030089  0.359463958814  0.146838130627
  0.042120629193  0.612151677058  0.302486397986
 -0.029904423464  0.219216984082  0.028974855952
  0.019371973633 -0.005337556511 -0.366483239371
 -0.007313787581  0.007383552508 -0.758201177684
  0.002076371261 -0.002549385800  0.020830186322
    4    1
 10.054250690000
         81.91937400
         23.07403500
          7.64995800
          2.49433600
 -0.054192741647
 -0.270448703636
 -0.535364752360
 -0.393853581348
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-00541a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.4825 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1880000000e5  2.1530000000e4  3.6350000000e3  8.1870000000e2  2.3170000000e2 71.240000000000 23.100000000000  7.426000000000  2.453800000000  0.862038000000  0.323199000000
 -0.059384441370 -0.100484101000 -0.205243830700 -0.384776964100 -0.675333122800 -1.079178030000 -0.949972180800 -1.356332140000 -2.959894532000 -2.095238214000 -0.134162442300
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 52.257942530000  3.282299868000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120783086936 -0.027898875198
  0.458954011060 -0.125649576078
  0.521964747093 -0.216493844937
  0.063885292518  0.266159996755
 -0.024877384159  0.622915958174
  0.007089124656  0.246208768797
    4    1
  1.472374739000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
  0.159877815980
  0.436070414616
  0.570206516303
  0.081067231339
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*           E.4.2.g. SrF2 (a=5.1690 A; Da/a=-.1082; P=8.0 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-01082a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-01082a.
********************************************************************************

/Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-01082a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.1690 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.9647693200e2  3.2488481500e2  1.0756899700e2 42.757938300000 14.897563800000  7.974692000000  2.882510000000
  1.408150000000  0.843140000000
  0.164626383000  0.215660642200  0.391591131600  0.635458617600  0.878967325600  1.203061365000  2.549032566000  1.580087006000  2.561005489000  3.896672052000  0.936742450000
  0.934382330100  2.052712641000
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.1646080460e3  1.5918470460e2 25.451562020000  2.362916954000
      21292.43700000
       3209.02450000
        727.79000000
        196.09466000
        293.31126000
         33.28018200
         14.11378100
         25.92426000
          4.44925600
          1.97425200
          3.13399600
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 -0.119220271449  0.039945897946  0.016448358559 -0.005916857552
 -0.410933133439  0.157600089349  0.065764192383 -0.023612739515
 -0.442297287578  0.219111928645  0.094369073416 -0.033457799788
 -0.096695984085  0.087550226427  0.041672310179 -0.015845489188
 -0.361151469647 -0.724510544411 -0.416396654312  0.144203909290
 -0.121512630917 -0.468191141462 -0.300729031848  0.094902063111
  0.393650081623  0.069137178206 -0.136720213506  0.091777787297
  0.117815145706  0.032397654088  1.010146094040 -0.372057386907
  0.057034114847  0.034556751130  0.518710921314 -0.101984085060
 -0.140012835196 -0.071491475780 -0.224558370020 -0.374085399607
 -0.019737576740 -0.013480690826 -0.058253726738  0.543701667456
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  0.031600122947  0.021666789458  0.138645477831  0.964450017408
  0.000864856111  0.000662567512  0.002640032961 -0.088311015642
 -0.000327460501 -0.000258185837 -0.000842407165  0.036878036780
   10    3
  1.4443284820e2 19.913362300000  0.774028231900
        931.80639000
        218.89504000
         68.13056800
         23.38244400
         10.69231200
          4.34943500
          1.83771600
          0.94718400
          0.39328800
          0.15840100
 -0.026012467348 -0.010946839649  0.003634262810
 -0.171120961869 -0.075777010571  0.025249892619
 -0.494606103826 -0.235797032634  0.079989137852
 -0.452460977367 -0.206659678192  0.067037890758
 -0.014110266564  0.359430339673 -0.147168780817
 -0.042124102148  0.612040256784 -0.306584492539
  0.029907640272  0.219324958127 -0.022269540200
 -0.019373560794 -0.005329285109  0.353137079558
  0.007312250289  0.007688438882  0.798378622997
 -0.002072854336 -0.002959328959 -0.065822969719
    4    1
  9.865665059000
         81.91937400
         23.07403500
          7.64995800
          2.49433600
  0.054175922516
  0.270388892635
  0.535199069400
  0.394119434445
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-01082a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=5.1690 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1880000000e5  2.1530000000e4  3.6350000000e3  8.1870000000e2  2.3170000000e2 71.240000000000 23.100000000000  7.426000000000  2.454460000000  0.875167000000  0.363720000000
 -0.059451787150 -0.100577764500 -0.205504461100 -0.385079238600 -0.676095796300 -1.080135485000 -0.952231155600 -1.360945832000 -2.954003031000 -2.105999297000 -0.119976151300
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 52.284182370000  3.330970331000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120781142440 -0.027869694895
  0.458938236478 -0.125637532175
  0.521957971722 -0.215835906415
  0.063923187754  0.260972944993
 -0.024860997524  0.632855202140
  0.007081199516  0.239423608872
    4    1
  1.520093574000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
 -0.160368639940
 -0.434819532072
 -0.582981939202
 -0.058228742170
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*           E.4.2.h. SrF2 (a=4.8555 A; Da/a=-.1623; P=12.0 GPa; K=24.65 GPa)
*             /Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-01623a.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-01623a.
********************************************************************************

/Sr.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-01623a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=4.8555 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.9647693200e2  3.2488481500e2  1.0756899700e2 42.679138300000 14.685463800000  7.808872000000  2.461680000000
  0.928880000000  0.088050000000
  0.164669877800  0.215713387200  0.391695826900  0.635593945900  0.879241181800  1.203436174000  2.550658603000  1.586662080000  2.680791046000  3.849797002000  1.202268819000
  2.637968421000  0.001503635315
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.1643676160e3  1.5895139260e2 25.227364300000  2.143720080000
      21292.43700000
       3209.02450000
        727.79000000
        196.09466000
        293.31126000
         33.28018200
         14.11378100
         25.92426000
          4.44925600
          1.97425200
          3.13399600
          0.60337400
          0.26182100
          0.32926300
          0.05169900
          0.02142700
 -0.016540037154  0.005250875345  0.002142509141 -0.000773655929
 -0.119220128214  0.039945491915  0.016447097222 -0.005959550997
 -0.410932686476  0.157598731568  0.065760322532 -0.023760101760
 -0.442298663447  0.219113795250  0.094372399741 -0.033518013064
 -0.096694434313  0.087546073191  0.041661457684 -0.016080909006
 -0.361158664108 -0.724476465935 -0.416486773288  0.141725273918
 -0.121515058377 -0.468184489726 -0.300945731389  0.089819132829
  0.393657964392  0.069111365572 -0.136460390387  0.098744917065
  0.117818351655  0.032330856966  1.011366245500 -0.337956880864
  0.057035263763  0.034497069930  0.520821960947 -0.038287434003
 -0.140016440721 -0.071399818548 -0.227302823387 -0.452847327412
 -0.019736144086 -0.013354385676 -0.062068875403  0.389625979365
 -0.020119755429 -0.013335364243 -0.107506320856 -0.745390144039
  0.031592069467  0.021196796471  0.153769541327  1.572657644230
  0.000864695992  0.000647808132  0.003109509706 -0.080647768351
 -0.000327374338 -0.000249857268 -0.001070851119  0.035484946709
   10    3
  1.4419847340e2 19.688905040000  0.557452190700
        931.80639000
        218.89504000
         68.13056800
         23.38244400
         10.69231200
          4.34943500
          1.83771600
          0.94718400
          0.39328800
          0.15840100
 -0.026012110853  0.010945428923 -0.003669749656
 -0.171117621217  0.075766434103 -0.025491503714
 -0.494600366839  0.235765907214 -0.080779001385
 -0.452465127265  0.206644235382 -0.067606746775
 -0.014114562512 -0.359362358268  0.148317955874
 -0.042130194427 -0.611930138433  0.310442841160
  0.029914594207 -0.219345743364  0.018976777413
 -0.019378759593  0.005108635456 -0.345668912235
  0.007312398304 -0.007957310441 -0.841738966350
 -0.002068798134  0.003534383262  0.121469080184
    4    1
  9.639947614000
         81.91937400
         23.07403500
          7.64995800
          2.49433600
 -0.054151403079
 -0.270301712528
 -0.534957144760
 -0.394507332814
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Pascual.0s.0s.ECP.SrF2-01623a.
J.L. Pascual, Z. Barandiaran, L. Seijo. Phys. Rev. B 76 (2007) 104109. doi:10.1103/physrevb.76.104109
From a SCEI calculation in SrF2 with a=4.8555 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.1880000000e5  2.1530000000e4  3.6350000000e3  8.1870000000e2  2.3170000000e2 71.240000000000 23.100000000000  7.426000000000  2.459530000000  0.891830000000  0.429820000000
 -0.059508594520 -0.100647794100 -0.205739710200 -0.385270216600 -0.676886819400 -1.080506939000 -0.954948853900 -1.362153670000 -2.939667673000 -2.113914555000 -0.120755175400
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 52.333605390000  3.398141804000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120779805566 -0.027851316168
  0.458927709951 -0.125716089354
  0.521954281278 -0.215172470400
  0.063942722178  0.255157709137
 -0.024840615429  0.645418081153
  0.007071787164  0.230159891111
    4    1
  1.587665151000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
  0.160790683701
  0.432851180332
  0.596063333298
  0.035467858731
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.4.3. BaF2
********************************************************************************
*           E.4.3.a. BaF2 (a=6.2001 A)
*             /Ba.EMB-AIMP.Pascual.0s.0s.ECP.BaF2.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.BaF2.
********************************************************************************

/Ba.EMB-AIMP.Pascual.0s.0s.ECP.BaF2.
J.L. Pascual, J. Schamps, Z. Barandiaran, L. Seijo. Phys. Rev. B 74 (2006) 104105. doi:10.1103/physrevb.74.104105
From a SCEI calculation on BaF2, a=6.2001 A
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: BA(BAF2)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.1495117000e5  6.7803575500e4  1.6605508000e4  4.8309975900e3  1.6095869300e3  5.3465481500e2  2.0699899700e2 76.890938300000 30.243963800000  5.401892000000  2.576900000000
  0.580100000000  0.690200000000  0.430210000000
  0.237843214000  0.277090265500  0.503958945000  0.838848660000  1.094095535000  1.615011610000  2.880222015000  1.822214265000  6.409149300000  5.553431150000  2.453715195000
 -3.490576935000  5.295742750000  1.509254060000
M2
  0
COREREP
 1.0
PROJOP
    2
   15    5
  2.6398762600e3  4.1290577500e2 89.330664400000 17.952888500000  1.925694780000
      47302.74600000
       7130.52400000
       1620.50140000
        438.06110000
        652.98692000
         75.49296100
         33.33153300
         64.32108100
         10.07863900
         11.93918300
          1.96821500
          2.26437200
          0.30819100
          0.01071500
          0.03310900
  0.016239438000 -0.006113660540 -0.002336864010 -0.001302392350  0.000485022807
  0.114021956000 -0.043052171400 -0.016927194600 -0.008310006120  0.003418788450
  0.422874297000 -0.159177190000 -0.060730033200 -0.034108110400  0.012625332700
  0.561619099000 -0.209399390000 -0.075556619200 -0.053718797100  0.016791355500
 -0.008453919480 -0.120241945000 -0.071138347200 -0.021646090500  0.012218742600
  0.019891879100  0.686605039000  0.290941544000  0.316259699000 -0.064373519700
 -0.002133217320  0.432292844000  0.183994534000  0.209201224000 -0.042626072200
  0.023716127500 -0.007062416040  0.414394156000  0.017183216600 -0.090057186200
  0.008228089770  0.011196723600 -1.222248260000 -0.527620081000  0.366880856000
  0.005226782420  0.004054074790  0.053270983100 -0.651319715000  0.167023036000
 -0.034057997400  0.035225470300  0.104746127000  1.455385310000 -0.687400895000
  0.039945003200 -0.025644306400 -0.211452760000 -0.193801701000 -0.327797187000
 -0.000062030926 -0.002539640460  0.000307226961  0.050967899900  1.244484560000
 -0.000023196176  0.000022860053 -0.000435975089  0.004018959750  0.004181542190
  0.000049207590 -0.000058976716  0.000922691216 -0.008413792250 -0.004066788930
   10    4
  3.8889617400e2 78.852454000000 13.944124100000  0.694676723000
       2235.78620000
        527.33272000
        166.05057000
         58.19858800
         24.95919500
          9.90256800
          4.00425600
          1.65229500
          0.54549400
          0.20243100
  0.023579652200 -0.012464552400  0.005862207190 -0.002156723980
  0.159994020000 -0.084575201600  0.039776587300 -0.014633928300
  0.479660086000 -0.253555405000  0.119249715000 -0.043872335500
  0.469255482000 -0.248055377000  0.116662995000 -0.042920673500
  0.025360467300  0.503885630000 -0.347736988000  0.137220274000
  0.032097778800  0.637748875000 -0.440117479000  0.173674481000
 -0.019497868500  0.041972751800  0.630409745000 -0.340295556000
  0.009735019760  0.014839683500  0.602903309000 -0.360386512000
 -0.003879944680 -0.006171835650  0.031529573700  0.720603296000
  0.001344403830  0.002180782320 -0.001001189540  0.500655086000
    6    2
 59.618012300000  6.809395680000
        277.53248000
         81.25850500
         28.99395500
         10.66656700
          5.45492100
          1.73890600
  0.036651352200 -0.016366384800
  0.213154893000 -0.095182709400
  0.518331911000 -0.231457204000
  0.414598867000 -0.151113148000
  0.028583487600  0.497046216000
  0.014756167300  0.689345146000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Pascual.0s.0s.ECP.BaF2.
J.L. Pascual, J. Schamps, Z. Barandiaran, L. Seijo. Phys. Rev. B 74 (2006) 104105. doi:10.1103/physrevb.74.104105
From a SCEI calculation on BaF2, a=6.2001 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(BAF2)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.7855117000e5  3.3443575500e4  6.3715080000e3  1.5359769300e3  4.4609759000e2  1.4438481500e2 51.054938300000 17.920963800000  6.595792000000  2.962997000000  1.265400000000
  0.516940000000
 -0.050803872700 -0.074826316700 -0.148708287000 -0.264135318000 -0.462702538000 -0.780805430000 -0.999048424000 -0.857593634000 -1.152778200000 -2.072128240000 -2.134575770000
 -1.001893960000
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 52.672845000000  3.239969440000
       2604.45710000
        392.64624000
         89.58306800
         25.10559100
          7.70235800
         13.37959100
          1.22116700
          0.37094400
  0.006176378690 -0.001516501790
  0.045763251500 -0.011236366200
  0.198461404000 -0.048728727700
  0.485921707000 -0.119309579000
  0.404488803000 -0.099315153000
 -0.001912411760 -0.081779955700
  0.017562308800  0.534023543000
 -0.002533405860  0.578551988000
    6    1
  1.459107710000
         44.32937800
         10.00597400
          2.94809100
          0.91794100
          0.26833400
          0.07400000
  0.015102048900
  0.095267041400
  0.290817085000
  0.432287987000
  0.436552892000
 -0.002387611170
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.4.4. CdF2
********************************************************************************
*           E.4.4.a. CdF2
*             /Cd.EMB-AIMP.Pascual.0s.0s.ECP.CdF2.
*             /F.EMB-AIMP.Pascual.0s.0s.ECP.CdF2.
********************************************************************************

/Cd.EMB-AIMP.Pascual.0s.0s.ECP.CdF2.
J.L. Pascual, L. Seijo. Unpublished.
From a SCEI calculation on CdF2
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: CD(CDF2)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.2135117000e5  7.0673575500e4  1.7812508000e4  5.3527975900e3  1.7900269300e3  5.8599481500e2  2.0212899700e2 85.110938300000 26.173563800000 15.024392000000  3.446900000000
  1.692500000000  0.660840000000
  0.190627580500  0.215375049000  0.380868978500  0.638097240000  0.960741070000  1.248193285000  2.448203260000  2.049925015000  3.774820790000  3.480706990000  2.990342820000
  3.679947350000  0.942150575000
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.9077538200e3  2.8310815000e2 54.572343400000  8.065851270000
      34402.84600000
       5187.96660000
       1178.58110000
        318.29672000
        475.15954000
         54.90800000
         23.76744000
         43.87417800
          7.89955800
          3.59361900
          6.64700700
          1.50251600
          0.64314500
          0.82268500
          0.11680500
          0.04243500
  0.016351918800 -0.006180644110  0.001947918010 -0.001798113290
  0.114818758000 -0.043440303000  0.013704526900 -0.012559147300
  0.423617388000 -0.160108061000  0.050457277600 -0.046598279900
  0.556137781000 -0.209088855000  0.065376687200 -0.061565079500
 -0.004046705130 -0.117596250000  0.064226041500 -0.026529860000
  0.021400910200  0.669938738000 -0.367122275000  0.166178491000
  0.000153115620  0.440725046000 -0.239025449000  0.113056630000
  0.011325599700 -0.003109186250 -0.294457274000  0.157459151000
 -0.055969213900  0.003122432040  0.942436085000 -0.609181186000
 -0.019670947800 -0.002669289350  0.344180096000 -0.229716817000
  0.115666782000  0.021667477600 -0.003400237310 -0.311593438000
 -0.168964104000 -0.011199746000 -0.008706526850  0.958310393000
 -0.208698639000 -0.016032338800 -0.018948754700  0.466378137000
  0.410659771000  0.034870475000  0.041044163600 -0.022378281300
 -0.001752004640  0.000047118622 -0.000366114758 -0.015740438300
  0.000416988043 -0.000000747468  0.000058202998  0.002989151270
   10    3
  2.6332909200e2 46.372096000000  5.288493200000
       1589.77360000
        374.21028000
        116.80779000
         40.76348300
        129.32028000
         16.43875100
          6.34175400
          2.60143100
          1.12289900
          0.45943800
  0.024211986000 -0.011351394600  0.004557790070
  0.164405545000 -0.077078857400  0.030948554000
  0.485909368000 -0.227810680000  0.091470104400
  0.464069243000 -0.217571293000  0.087358805800
 -0.001266484860 -0.025920592200  0.015229384000
  0.024946806300  0.510575386000 -0.299983448000
  0.030618144200  0.626648181000 -0.368180855000
 -0.021377465700  0.022212245400  0.451966812000
  0.011646436900  0.026271377500  0.620162438000
 -0.003673924220 -0.007972249460  0.166593023000
    7    2
 31.323038800000  0.708886950000
        176.56241000
         51.14662800
         17.89437900
          6.42286600
          3.82854600
          1.31095000
          0.40971600
  0.041702915800 -0.014023143600
  0.231291123000 -0.077774624800
  0.522006045000 -0.175531269000
  0.412230096000 -0.138617689000
  0.003358102920  0.286823271000
  0.032882917600  0.589841613000
 -0.007603484840  0.392437580000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Pascual.0s.0s.ECP.CdF2.
J.L. Pascual, L. Seijo. Unpublished.
From a SCEI calculation on CdF2
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(CDF2)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.7965117000e5  3.3693575500e4  6.4455080000e3  1.5619769300e3  4.5629759000e2  1.4828481500e2 52.584938300000 18.650963800000  6.780792000000  2.961997000000  1.280400000000
  0.559940000000
 -0.050747588600 -0.074517975500 -0.147620566000 -0.261073753000 -0.455499428000 -0.769822641000 -0.995427853000 -0.857087337000 -1.167902320000 -2.116658600000 -2.067421040000
 -1.036220900000
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 52.766084700000  3.371033580000
       2604.45710000
        392.64624000
         89.58306800
         25.10559100
          7.70235800
         13.37959100
          1.22116700
          0.37094400
  0.006176127500 -0.001510775090
  0.045761390300 -0.011193934800
  0.198453333000 -0.048544715400
  0.485901944000 -0.118859035000
  0.404472353000 -0.098940113300
 -0.001908184420 -0.081385248500
  0.017661663800  0.528081665000
 -0.002551978980  0.583985693000
    6    1
  1.587642540000
         44.32937800
         10.00597400
          2.94809100
          0.91794100
          0.26833400
          0.07400000
  0.015140281800
  0.095508222900
  0.291553328000
  0.435970966000
  0.451393560000
 -0.046818466000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*    E.5. Miscellany
********************************************************************************
*         E.5.1. Cs2GeF6
********************************************************************************
*           E.5.1.a. Cs2GeF6 (a=9.021 A, x=0.20)
*             /Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2GeF6.
*             /Ge.EMB-AIMP.Seijo.0s.0s.ECP.Cs2GeF6.
*             /F.EMB-AIMP.Seijo.0s.0s.ECP.Cs2GeF6.
********************************************************************************
*         E.5.2. Cs2ZrCl6
********************************************************************************
*           E.5.2.a. Cs2ZrCl6 (a=10.407 A, x=0.235)
*             /Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2ZrCl6.
*             /Zr.EMB-AIMP.Seijo.0s.0s.ECP.Cs2ZrCl6.
*             /Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2ZrCl6.
********************************************************************************
*         E.5.3. YVO4
********************************************************************************
*           E.5.3.a. YVO4 (a=7.123 A, c=6.292 A, yO=0.4346, zO=0.2023)
*             /Y.EMB-AIMP.Pascual.0s.0s.ECP.YVO4.
*             /V.EMB-AIMP.Pascual.0s.0s.ECP.YVO4.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.YVO4.
********************************************************************************
*         E.5.4. Al2O3  D63d(R3c)
********************************************************************************
*           E.5.4.a. Al2O3 (D63d(R3c) a=4.76 A c=12.995 A z=0.35219 x=0.69367)
*             /Al.EMB-AIMP.Pascual.0s.0s.ECP.Al2O3.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.Al2O3.
********************************************************************************
*         E.5.5. SrB4O7 (SrB4O7)
********************************************************************************
*           E.5.5.a. SrB4O7
*             /Sr.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-Sr.
*             /Sr.EMB-AIMP.deJong.23s19p.1s1p.ECP.SrB4O7-Sr.
*             /B.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-B1.
*             /B.EMB-AIMP.deJong.12s.1s.ECP.SrB4O7-B1.
*             /B.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-B2.
*             /B.EMB-AIMP.deJong.12s.1s.ECP.SrB4O7-B2.
*             /O.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-O1.
*             /O.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-O2.
*             /O.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-O3.
*             /O.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-O4.
********************************************************************************
*         E.5.6. Lu2O3
********************************************************************************
*           E.5.6.a. Lu2O3
*             /Lu.EMB-AIMP.Pascual.0s.0s.ECP.Lu2O3-Lu(1).
*             /Lu.EMB-AIMP.Pascual.14s10p.1s1p.ECP.Lu2O3-Lu(1).
*             /Lu.EMB-AIMP.Pascual.0s.0s.ECP.Lu2O3-Lu(2).
*             /Lu.EMB-AIMP.Pascual.14s10p.1s1p.ECP.Lu2O3-Lu(2).
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.Lu2O3.
********************************************************************************

********************************************************************************
*         E.5.1. Cs2GeF6
********************************************************************************
*           E.5.1.a. Cs2GeF6 (a=9.021 A, x=0.20)
*             /Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2GeF6.
*             /Ge.EMB-AIMP.Seijo.0s.0s.ECP.Cs2GeF6.
*             /F.EMB-AIMP.Seijo.0s.0s.ECP.Cs2GeF6.
********************************************************************************
*   Cs2GeF6
*   Oh5(Fm3m), a=9.021 A, x=0.20, Wyckoff, 1968
********************************************************************************

/Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2GeF6.
L. Seijo, Z. Barandiaran, D.S. McClure. Int. J. Quantum Chem. 80 (2000) 623-635. doi:10.1002/1097-461x(2000)80:4/5<623::aid-qua11>3.0.co;2-0
From a SCEI calculation on Cs2GeF6 (Oh5(Fm3m), a=9.021 A, x=0.20, Wyckoff, 1968)
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Cs(Cs2GeF6)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  4.1220000000e5  6.6070000000e4  1.6111000000e4  4.8290000000e3  1.5932000000e3  4.9900000000e2  2.0290000000e2 59.380000000000 27.750000000000  7.896000000000  4.315000000000
  1.866000000000  0.716600000000  0.390400000000  0.249900000000
  0.496345353000  0.591671440000  1.032516750000  1.673764800000  2.263241210000  3.270497420000  6.074367600000  4.559319800000 11.440302300000  1.735049300000 11.602231700000
  2.747253620000  4.279232550000  2.223781090000  0.010425062600
M2
  0
COREREP
 1.0
PROJOP
    2
   11    5
  2.6635715400e3  4.2580163100e2 92.049986000000 19.039925700000  2.170800000000
      33313.72970000
       3974.35337000
        773.54310200
         68.95959780
         23.82251990
         14.68367750
          7.10033807
          4.19897764
          1.83681080
       3628.48866e-4
       1568.36894e-4
  0.051400731200  0.017713712500  0.007728950340  0.003475158890  0.001225120150
  0.254359876000  0.106434067000  0.050184496800  0.023581409400  0.008568809300
  0.736676609000  0.358208730000  0.168004100000  0.077418281600  0.029230668600
  0.288025410000 -0.825579235000 -0.739489962000 -0.390942721000 -0.145096923000
 -0.658799669000 -0.345777227000 -0.356661923000 -0.274413319000 -0.104619004000
  0.786232366000  0.112218164000  0.926930016000  0.875777668000  0.342524506000
 -0.543594819000 -0.040730461000  0.521270120000  0.686329463000  0.375336455000
  0.304811675000  0.016739812000  0.050760226600 -0.429460146000 -0.301719439000
 -0.067898881500 -0.003297786700  0.008617958740 -1.085791200000 -0.841699353000
  0.013543212500  0.000210733999 -0.000991882440 -0.073917256400  0.911486743000
 -0.006034411060 -0.000159447599  0.000496693802  0.023720667600  0.374234782000
   10    4
  3.8190070700e2 77.532204200000 14.190449200000  0.936200000000
       1835.93935000
        412.74490500
        125.93392200
         18.54755560
          8.38114931
          4.59232246
          2.15034415
       4615.53695e-4
       2062.27972e-4
        924.25102e-4
  0.056520125800  0.021686907400  0.009272738120 -0.002899224690
  0.171899237000  0.111813194000  0.053187300800 -0.018954706800
  0.737178558000  0.339659459000  0.151122414000 -0.050240440500
  0.444446974000 -0.562858154000 -0.442982861000  0.152685864000
 -0.460759082000 -0.485193639000 -0.216995650000  0.108952521000
  0.324536876000 -0.003463784320  0.271144558000 -0.197341416000
 -0.106213989000 -0.023768939100  0.842773248000 -0.362142531000
  0.032403023400  0.005853287600  0.149950755000  0.497620053000
 -0.024513628700 -0.004775439830 -0.078570531800  0.611407434000
  0.008754292540  0.001732365890  0.025020547400  0.007143475680
    7    2
 56.100838900000  6.874997900000
        214.30000000
         64.91000000
         24.62000000
         10.31500000
          4.14400000
          1.72500000
          0.66840000
  0.056355186000  0.025265276800
  0.259335436000  0.114380454000
  0.487532354000  0.219610461000
  0.361650038000  0.038915689900
  0.064477717300 -0.462584440000
 -0.002844159930 -0.526167083000
  0.000709728006 -0.150030084000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ge.EMB-AIMP.Seijo.0s.0s.ECP.Cs2GeF6.
L. Seijo, Z. Barandiaran, D.S. McClure. Int. J. Quantum Chem. 80 (2000) 623-635. doi:10.1002/1097-461x(2000)80:4/5<623::aid-qua11>3.0.co;2-0
From a SCEI calculation on Cs2GeF6 (Oh5(Fm3m), a=9.021 A, x=0.20, Wyckoff, 1968)
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Ge(Cs2GeF6)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.2950000000e5  4.6220000000e4  1.0277000000e4  2.7893000000e3  9.1600000000e2  3.1037000000e2 96.020000000000 36.660000000000 10.736000000000  2.523400000000  6.532100000000
  0.063570580000  0.082275933250  0.154813515750  0.265575805000  0.387430077500  0.474838425000  1.001458747500  1.062313087500  0.512541000000  1.212432015000  1.782750810000
M2
  0
COREREP
 1.0
PROJOP
    2
   11    3
  8.0699700000e2  1.0488100000e2 14.958400000000
       5073.74990000
        767.72417000
        168.18881000
        224.98366000
         21.18765900
          8.62563700
         17.76430500
          2.85515030
          1.15858270
          1.58594930
          0.22692409
  0.061739244300  0.020793462400  0.008089048140
  0.367303172000  0.123705834000  0.048123897100
  0.674025999000  0.227008516000  0.088310584500
 -0.010406494800  0.109184232000  0.050306130000
  0.069842128800 -0.732778841000 -0.337624461000
  0.035199563000 -0.369311409000 -0.170158523000
 -0.018849297500 -0.001807383650 -0.250974492000
 -0.135745095000  0.003028216870  0.789595622000
 -0.143166717000  0.010044709800  0.451007175000
  0.239973814000 -0.020159553500  0.007803392750
  0.006040117370  0.000060078104 -0.012759129500
    8    2
 93.049600000000 10.926200000000
        293.73174000
         67.55254600
         19.56863100
          7.43262680
          2.84268420
          1.10411680
          0.38224145
          0.14147296
 -0.087722313400 -0.037907281800
 -0.430590122000 -0.186070117000
 -0.597624975000 -0.258250580000
 -0.032776985300  0.292649950000
 -0.051906998300  0.608835960000
  0.026810251100  0.284077754000
 -0.012417733100 -0.000252719388
  0.004325327710 -0.005111119390
    3    1
  3.740320000000
         24.32142100
          6.22381350
          1.58873750
 -0.159392522000
 -0.515531389000
 -0.580762245000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.Seijo.0s.0s.ECP.Cs2GeF6.
L. Seijo, Z. Barandiaran, D.S. McClure. Int. J. Quantum Chem. 80 (2000) 623-635. doi:10.1002/1097-461x(2000)80:4/5<623::aid-qua11>3.0.co;2-0
From a SCEI calculation on Cs2GeF6 (Oh5(Fm3m), a=9.021 A, x=0.20, Wyckoff, 1968)
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: F(Cs2GeF6)
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.2490000000e5  2.2640000000e4  3.8690000000e3  8.7400000000e2  2.4750000000e2 75.860000000000 25.300000000000  8.053000000000  2.561000000000  0.899700000000  0.352100000000
 -0.058286147000 -0.097139675600 -0.198189826000 -0.370123937000 -0.655496034000 -1.055863860000 -0.938532254000 -1.332754430000 -2.964781210000 -2.146513130000 -0.182319494000
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 51.874200000000  2.950800000000
        205.90000000
         37.19000000
          9.88000000
          1.71300000
          0.64860000
          0.21080000
  0.120781214000 -0.027832628200
  0.458939996000 -0.125620121000
  0.521965438000 -0.215038954000
  0.063899425700  0.255120201000
 -0.024831911100  0.643565040000
  0.007042436960  0.232326919000
    4    1
  1.086666670000
          7.96800000
          1.77800000
          0.45820000
          0.11090000
  0.160036804000
  0.439209521000
  0.565684757000
  0.083705013400
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.5.2. Cs2ZrCl6
********************************************************************************
*           E.5.2.a. Cs2ZrCl6 (a=10.407 A, x=0.235)
*             /Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2ZrCl6.
*             /Zr.EMB-AIMP.Seijo.0s.0s.ECP.Cs2ZrCl6.
*             /Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2ZrCl6.
********************************************************************************
*   Cs2ZrCl6
*   Oh5(Fm3m), a=10.407 A, x=0.235, Wyckoff, 1968
********************************************************************************

/Cs.EMB-AIMP.Seijo.0s.0s.ECP.Cs2ZrCl6.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 115 (2001) 5554-5560. doi:10.1063/1.1398092
From a SCEI calculation on Cs2ZrCl6 (Oh5(Fm3m), a=10.407 A, x=0.235, Wyckoff, 1968)
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.2020000000e5  6.8730000000e4  1.6991000000e4  5.1040000000e3  1.6612000000e3  5.0720000000e2  1.8680000000e2 71.170000000000 25.820000000000 10.697000000000  4.232000000000
  1.737000000000  0.623900000000  0.333800000000
  0.440000240500  0.512635219600  0.908123008800  1.527061593000  2.119080925000  2.855017339000  5.171016150000  5.164199033000 13.506973620000  5.979624501000  8.945249280000
  3.129585228000  2.925800604000  0.815633260500
M2
  0
COREREP
 1.0
PROJOP
    2
   11    5
  2.5156472520e3  3.9180545640e2 84.412444570000 16.965563360000  2.186143011000
      33313.72970000
       3974.35337000
        773.54310200
         68.95959780
         23.82251990
         14.68367750
          7.10033807
          4.19897764
          1.83681080
       3628.48866e-4
       1568.36894e-4
 -0.027031520068  0.009196716245  0.004192165013  0.001937501576  0.000721399085
 -0.229739614543  0.083565072278  0.038379639492  0.017773830901  0.006622447755
 -0.740119095823  0.376635676600  0.182889143124  0.085671817053  0.031982401101
 -0.369214165817 -0.612169513238 -0.571168550450 -0.305224736176 -0.116666207147
  0.834574852747 -0.938730702976 -0.937450753117 -0.587683331472 -0.242155125738
 -1.005878785480  0.756816286007  1.437090275290  1.089919836100  0.474265110044
  0.711262331901 -0.517202379584  0.180769048043  0.534094506259  0.219422654950
 -0.399470324718  0.290394096663  0.336564781250 -0.099661689489 -0.024345053518
  0.087054305734 -0.064008278855 -0.047402781380 -1.229723267360 -0.991715590867
 -0.017973496411  0.013488687061  0.012383342746 -0.102480074900  0.802861478745
  0.008040361522 -0.006062641026 -0.005736773482  0.031915993575  0.485957417709
   10    4
  3.6516652420e2 74.670442360000 13.224675120000  1.111431745000
       1835.93935000
        412.74490500
        125.93392200
         18.54755560
          8.38114931
          4.59232246
          2.15034415
       4615.53695e-4
       2062.27972e-4
        924.25102e-4
  0.018806756859  0.012306879337  0.004017823912  0.001636570261
  0.105888574477  0.083449807940  0.028387964402  0.011680563210
  0.375857108360  0.268785035816  0.089278616408  0.036447497071
  0.283944795444  0.365381921646  0.216649925200  0.095842794765
  0.305981661210  0.473531301642  0.196328318410  0.094599657953
  0.223615366775  0.055574048372  0.192827852962  0.134596895811
  0.076497943623  0.045093703402  0.466141294667  0.261318440172
  0.023566477312  0.013005036770  0.106208683328  0.325080326127
  0.018073903959  0.010088520483  0.059564932952  0.427339689015
  0.006485756950  0.003649863516  0.020031822490  0.022754725535
    7    2
 56.235987900000  6.486954844000
        214.30000000
         64.91000000
         24.62000000
         10.31500000
          4.14400000
          1.72500000
          0.66840000
  0.052581662742  0.020679582487
  0.255851848854  0.101778631002
  0.489693297241  0.195892387730
  0.362730381025  0.038163318827
  0.063613310820  0.417273661893
  0.002658346591  0.466681691633
  0.000880160847  0.127541623858
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Zr.EMB-AIMP.Seijo.0s.0s.ECP.Cs2ZrCl6.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 115 (2001) 5554-5560. doi:10.1063/1.1398092
From a SCEI calculation on Cs2ZrCl6 (Oh5(Fm3m), a=10.407 A, x=0.235, Wyckoff, 1968)
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.3255117000e5  4.9423575500e4  1.1390508000e4  3.2144975900e3  1.0345769320e3  3.2068481500e2  1.0826899700e2 39.054938300000 13.500963800000  6.288792000000  2.144400000000
  1.057700000000  0.423600000000
  0.089448979190  0.111582517200  0.205216727200  0.348278012800  0.503761220900  0.689712912500  1.440634187000  1.215840036000  2.012083069000  1.159265880000  0.689096770900
  0.529066857200  0.006012830446
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.3010739760e3  1.8373408510e2 33.130644210000  5.704941540000
      23631.78600000
       3562.85500000
        808.60763000
        218.05710000
        326.01729000
         37.19304200
         15.85233500
         29.13382400
          5.04688180
          2.26235760
          3.73669790
          0.76213451
          0.32420281
          0.43503515
          0.06305064
          0.02564552
 -0.016514841558  0.005267937580  0.002187047804 -0.000846568771
 -0.118999528129  0.040056366460  0.016782288132 -0.006509867248
 -0.410203967751  0.158190018510  0.067194966632 -0.026093720290
 -0.441957126540  0.220784058686  0.096931941851 -0.037660040180
 -0.097239669472  0.087671045175  0.042494210132 -0.017072042185
 -0.374982715165 -0.728711308670 -0.430162113829  0.172448755644
 -0.127531319166 -0.471687050823 -0.311417576819  0.125434337180
  0.410313330699  0.075246881039 -0.133373228945  0.080241925535
  0.147704713348  0.047450245233  1.088453151530 -0.544980483097
  0.061630295200  0.038496411490  0.510715512429 -0.270834269610
 -0.169584019878 -0.087663289584 -0.278831735465 -0.193228569966
 -0.024717991188 -0.017672724981 -0.063286128468  0.969041849412
 -0.016429009884 -0.012438324122 -0.051222825173  0.373805315633
  0.030543896338  0.022739736667  0.095810858415  0.021062182518
  0.000844737724  0.000762197392  0.000358235872 -0.066457258163
 -0.000319983975 -0.000282098349 -0.000353401103  0.016720221609
   10    3
  1.6797911640e2 27.072943270000  3.792189610000
       1037.54300000
        244.33521000
         76.35211200
         26.34122700
         12.09156700
          4.97779340
          2.13153570
          1.19832810
          0.50580455
          0.20176662
  0.025679546815  0.008313329893  0.002849852560
  0.168645711353  0.057481470938  0.019869127538
  0.486600276680  0.178863031822  0.062630582816
  0.446003594511  0.156170532851  0.053763918186
  0.013081966613  0.273944181052  0.122817367329
  0.044140318499  0.456509988128  0.232225786827
  0.035725203319  0.153423251548  0.042184754187
  0.024321308958  0.005407285780  0.340782905031
  0.008088178244  0.004899606965  0.457006017035
  0.002151821221  0.001373538466  0.011221748065
    7    1
 16.031939040000
         99.31632200
         28.23295800
          9.53405820
          3.22331260
          1.53398730
          0.46969283
          0.13054859
  0.049734413316
  0.255082276855
  0.531424793000
  0.386711502393
  0.023097259790
  0.018133982229
  0.004683412789
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.EMB-AIMP.Seijo.0s.0s.ECP.Cs2ZrCl6.
L. Seijo, Z. Barandiaran. J. Chem. Phys. 115 (2001) 5554-5560. doi:10.1063/1.1398092
From a SCEI calculation on Cs2ZrCl6 (Oh5(Fm3m), a=10.407 A, x=0.235, Wyckoff, 1968)
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.7190000000e5  5.7100000000e4  1.3233000000e4  3.6540000000e3  1.1574000000e3  3.8850000000e2  1.3420000000e2 48.460000000000 17.660000000000  6.452000000000  1.683000000000
  0.642600000000  0.242000000000
 -0.100806723100 -0.121996726800 -0.222210776500 -0.390819818500 -0.646261486000 -1.134715186000 -1.329186456000 -1.394666532000 -3.697185232000 -3.140019331000 -1.918039474000
 -3.463167502000 -0.440924755300
M2
  0
COREREP
 1.0
PROJOP
    1
    9    3
  2.0826634710e2 20.736152110000  1.956972982000
       1364.96150000
        206.03730000
         44.78080200
         59.37822900
          5.18049520
          2.02243360
          3.42519800
          0.45919951
          0.14963825
 -0.065292003849  0.018778245411 -0.005473227503
 -0.363438194937  0.116611525048 -0.034393684620
 -0.487694895353  0.205859866237 -0.063778022743
 -0.153065273262  0.092338119272 -0.027857616057
 -0.358779122420 -0.653161228912  0.269430659651
 -0.167404875015 -0.406164530315  0.246556022949
  0.432835779405 -0.031435385151  0.072613907848
  0.020929326959 -0.014317887130 -0.764778729179
 -0.006697840719  0.001472481018 -0.436816587569
    6    2
 15.625412350000  0.709771176000
         63.76258100
         14.19345700
          3.79556670
          1.04115910
          0.35250026
          0.09954514
  0.100393231369  0.023666468179
  0.456945370589  0.115594775410
  0.577939574682  0.143301089519
  0.067976977293  0.190383857281
  0.000498286578  0.654062760226
  0.000366839356  0.187253041867
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.5.3. YVO4
********************************************************************************
*           E.5.3.a. YVO4 (a=7.123 A, c=6.292 A, yO=0.4346, zO=0.2023)
*             /Y.EMB-AIMP.Pascual.0s.0s.ECP.YVO4.
*             /V.EMB-AIMP.Pascual.0s.0s.ECP.YVO4.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.YVO4.
********************************************************************************
*   Zircon lattice type
*   No. 141: I4 1/amd tetragonal
*   Positions: (a), (b), (h).
*     (a) Zr  (b) Si  (h) O
*   a = 13.460 b, c = 11.890 b
*   y(O) = 0.4346, z(O) = 0.2023
********************************************************************************

/Y.EMB-AIMP.Pascual.0s.0s.ECP.YVO4.
J.L. Pascual, Z. Barandiaran, L. Seijo. Int. J. Quantum Chem. 90 (2002) 751-758. doi:10.1002/qua.925
From a SCEI calculation in YVO4 (a=7.123 A, c=6.292 A, yO=0.4346, zO=0.2023)
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Y(YVO4)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.1113133000e5  7.0237892000e4  1.7873173000e4  5.3018260000e3  1.7314303300e3  6.2742108000e2  2.3149144900e2 93.505184000000 33.746715000000 11.696599600000  5.479395300000
  1.464118300000  0.733838930000
  0.095941338333  0.106594184667  0.187249990333  0.327783990000  0.516471293333  0.585167433333  0.868545800000  1.685198423333  1.045432123333  3.166468500000  1.188774970000
  1.539803776667  0.686568176667
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.2308634000e3  1.7048400000e2 28.376000000000  3.092800000000
      22535.50000000
       3394.40000000
        769.30800000
        207.17200000
        309.47100000
         35.23740000
         14.99810000
         27.48500000
          4.75334000
          2.12962000
          3.44125000
          0.67786900
          0.28811000
          0.37320100
          0.05311200
          0.02174400
  0.016540887200 -0.005791331600 -0.002409071680 -0.000897395424
  0.116436031000 -0.040766837800 -0.016958143800 -0.006317022790
  0.428113606000 -0.149892072000 -0.062351937300 -0.023226516600
  0.553332061000 -0.193733831000 -0.080589183500 -0.030020013600
 -0.001354479440 -0.116049053000 -0.057596606500 -0.021907604100
  0.007813987040  0.669486569000  0.332274616000  0.126384890000
  0.005201395240  0.445645000000  0.221179226000  0.084128340800
  0.036208102900 -0.002210598710  0.277714509000  0.133068202000
 -0.111861160000  0.006829414280 -0.857970026000 -0.411100338000
 -0.053299370700  0.003254064990 -0.408803758000 -0.195880227000
  0.144608010000  0.008926328220  0.003684314820 -0.319685647000
  0.008819311440 -0.011645084700  0.009931084940  0.877948014000
  0.001758667060 -0.014526127300  0.024087252500  0.358236676000
 -0.005332254330  0.022421379400 -0.037271205600  0.076993870500
  0.000120188850  0.000797951350 -0.000506774892 -0.046708246300
 -0.000058137461 -0.000317319345  0.000113340069  0.016323147800
   10    3
  1.5525853300e2 22.576266700000  1.344000000000
        987.03000000
        232.05400000
         72.33480000
         24.87860000
         11.45280000
          4.71786000
          2.02762000
          1.09391000
          0.46908000
          0.19010900
 -0.025822625200  0.012182824400 -0.004306125400
 -0.170735897000  0.080551277000 -0.028471550600
 -0.491298045000  0.231788896000 -0.081927804500
 -0.457683433000  0.215929899000 -0.076322304100
 -0.014951824200 -0.362691774000  0.170556099000
 -0.025210802400 -0.611547494000  0.287580702000
 -0.008998662540 -0.218283791000  0.102648129000
  0.019045233200  0.004641686480 -0.464733622000
 -0.011437437500 -0.006873863170 -0.635256809000
  0.003750330850  0.001937512040 -0.085999326700
    7    1
 12.049920000000
         93.48480000
         26.40650000
          8.82690000
          2.93169000
          1.30181000
          0.38778000
          0.10362400
 -0.048688954800
 -0.252849581000
 -0.525797107000
 -0.406884270000
 -0.013928601900
 -0.021244805000
  0.005845608720
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/V.EMB-AIMP.Pascual.0s.0s.ECP.YVO4.
J.L. Pascual, Z. Barandiaran, L. Seijo. Int. J. Quantum Chem. 90 (2002) 751-758. doi:10.1002/qua.925
From a SCEI calculation in YVO4 (a=7.123 A, c=6.292 A, yO=0.4346, zO=0.2023)
     5.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: V(YVO4)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.1240193000e5  7.0519092000e4  1.7947813000e4  5.3331160000e3  1.7634883300e3  6.2540080000e2  2.4943461900e2 89.064320000000 33.831606000000 16.306301600000  3.630817000000
  1.842623900000  0.857432439000
  0.026768636200  0.029451757000  0.051754105400  0.087132923800  0.149483099800  0.223994956000  0.243739054000  0.356187618000  0.695918398000  0.443965524000  0.656861210000
  0.604397226000  0.030345492600
M2
  0
COREREP
 1.0
PROJOP
    1
   13    3
  4.0384960000e2 49.286600000000  7.299000000000
       7484.98000000
       1128.92000000
        255.66100000
         68.60540000
        102.77700000
         11.02460000
          4.51350000
          7.74193000
          1.23379000
          0.49955800
          0.60436400
          0.08679200
          0.03286900
  0.017495789600 -0.005699867140 -0.002177533790
  0.122351170000 -0.039860185200 -0.015227881200
  0.440856103000 -0.143624338000 -0.054869147200
  0.547551575000 -0.178384131000 -0.068148513300
 -0.011684423900 -0.108343482000 -0.048613192700
  0.070214794700  0.651064648000  0.292129536000
  0.049331258400  0.457422663000  0.205243321000
 -0.068161442600  0.000828736469  0.263014334000
 -0.061505765000  0.003295387000 -0.926956531000
 -0.125020302000 -0.031593710600 -0.297522634000
  0.165012683000  0.039548777400 -0.030023500100
  0.005247771200  0.000321679915  0.043897503600
 -0.002047665260 -0.000228524200 -0.011346694200
    7    2
 41.581400000000  4.877266670000
        288.90500000
         67.23490000
         20.46680000
          6.80191000
          2.79096000
          1.05821000
          0.39633600
  0.029509926400 -0.012305930800
  0.185630783000 -0.077409870300
  0.500472533000 -0.208701990000
  0.448936438000 -0.187210929000
  0.010870579000  0.394633278000
  0.023682068600  0.665348623000
 -0.007733589240  0.112048288000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Pascual.0s.0s.ECP.YVO4.
J.L. Pascual, Z. Barandiaran, L. Seijo. Int. J. Quantum Chem. 90 (2002) 751-758. doi:10.1002/qua.925
From a SCEI calculation in YVO4 (a=7.123 A, c=6.292 A, yO=0.4346, zO=0.2023)
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: O(YVO4)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.4463938200e5  2.5953781400e4  4.5541830500e3  1.0478518400e3  2.9896452900e2 96.938468500000 33.966449700000 11.089277900000  3.646914400000  1.591517770000  0.833292985000
  0.399592710000
 -0.024125503950 -0.038885457800 -0.079297031000 -0.142287523000 -0.248300497500 -0.410047190500 -0.496115547500 -0.448017416500 -0.801189370000 -0.961109010000 -0.807713985000
 -0.542911470000
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.359800000000  2.079400000000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201333660 -0.001338602760
  0.045634391200 -0.009843576660
  0.200025429000 -0.047123370700
  0.473762736000 -0.121919925000
  0.380870684000 -0.118363189000
  0.028857636000 -0.054036226300
  0.024897072900  0.505521876000
 -0.005773121870  0.605660016000
    6    1
  0.568466667000
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.012850108700
 -0.082695185700
 -0.243165574000
 -0.429037271000
 -0.484654327000
  0.000082958148
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.5.4. Al2O3  D63d(R3c)
********************************************************************************
*           E.5.4.a. Al2O3 (D63d(R3c) a=4.76 A c=12.995 A z=0.35219 x=0.69367)
*             /Al.EMB-AIMP.Pascual.0s.0s.ECP.Al2O3.
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.Al2O3.
********************************************************************************
*   D63d(R3c) a=4.75999 c=12.99481 z=0.35219 x=0.69367
*   P. Thompson, D.E. Cox, J.B. Hastings. J. Appl. Crystallogr. 20 (1987) 79-83. doi:10.1107/s0021889887087090
********************************************************************************

/Al.EMB-AIMP.Pascual.0s.0s.ECP.Al2O3.
J.L. Pascual. Unpublished.
From a SCEI calculation on Al2O3 (D63d(R3c) a=4.75999 c=12.99481 z=0.35219 x=0.69367)
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: Al(Al2O3)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.4181133000e5  8.1930992000e4  2.1628773000e4  6.4358060000e3  2.1085303300e3  7.5246408000e2  2.8361344900e2  1.0934318400e2 40.252815000000 14.131999600000  6.509095300000
  3.636958300000  1.922281930000
  0.019399028833  0.019865957367  0.035249315000  0.059489643333  0.099072061333  0.160590371667  0.261673056333  0.341908720000  0.336970706667  0.586430336667  0.719975476667
  0.520896820000  0.171811839000
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1623800000e2  8.935000000000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
 -0.005566079640 -0.001601653820
 -0.042441357200 -0.012212610400
 -0.188053976000 -0.054113018300
 -0.478682849000 -0.137742228000
 -0.422028110000 -0.121439681000
  0.002605326110 -0.095713594400
 -0.022989929900  0.603269327000
 -0.002295655010  0.598507412000
  0.007057154490 -0.071696701600
 -0.000071140879 -0.027868367500
  0.000167404718 -0.000602355818
    8    1
  5.623333330000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
  0.013978413300
  0.091638498300
  0.298772255000
  0.498439469000
  0.323533441000
 -0.003470619620
 -0.032985746300
  0.014522208100
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Pascual.0s.0s.ECP.Al2O3.
J.L. Pascual. Unpublished.
From a SCEI calculation on Al2O3 (D63d(R3c) a=4.75999 c=12.99481 z=0.35219 x=0.69367)
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: O(Al2O3)/OK
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.0237738200e5  1.8935181400e4  3.0705618400e3  6.6534205000e2  1.7734366900e2 55.463029000000 18.440447900000  5.458039700000  2.082439770000  0.766207980000  0.343049400000
 -0.027215647700 -0.047754306950 -0.100106001000 -0.190236084000 -0.345347036000 -0.506684920000 -0.462690932000 -0.637808995000 -1.132267455000 -0.977447885000 -0.572440740000
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.906000000000  2.547800000000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201903810 -0.001325946510
  0.045638030200 -0.009682931050
  0.200049934000 -0.046917593700
  0.473784907000 -0.116980349000
  0.380726222000 -0.104443010000
  0.029003357900 -0.064928382500
  0.024752421000  0.478484176000
 -0.005756495390  0.628306979000
    6    1
  1.123866670000
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.014251804200
 -0.078115486800
 -0.297557251000
 -0.311752738000
 -0.548998757000
 -0.039012804500
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.5.5. SrB4O7 (SrB4O7)
********************************************************************************
*           E.5.5.a. SrB4O7
*             /Sr.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-Sr.
*             /Sr.EMB-AIMP.deJong.23s19p.1s1p.ECP.SrB4O7-Sr.
*             /B.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-B1.
*             /B.EMB-AIMP.deJong.12s.1s.ECP.SrB4O7-B1.
*             /B.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-B2.
*             /B.EMB-AIMP.deJong.12s.1s.ECP.SrB4O7-B2.
*             /O.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-O1.
*             /O.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-O2.
*             /O.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-O3.
*             /O.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-O4.
********************************************************************************
*   Structure:
*     J. Krogh-Moe. Acta Chem. Scand. 18 (1964) 2055-2060. doi:acta.chem.scand.18-2055
*     No. 31: Pmn21 orthorombic. a=10.711_A, b=4.427_A, c=4.235_A
*   Embedding potentials:
*     M. de Jong, A. Meijerink, R.A. Gordon, Z. Barandiaran, L. Seijo. J. Phys. Chem. C 118 (2014) 9696-9705. doi:10.1021/jp502996t
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Sr.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-Sr.
M. de Jong, A. Meijerink, R.A. Gordon, Z. Barandiaran, L. Seijo. J. Phys. Chem. C 118 (2014) 9696-9705. doi:10.1021/jp502996t
Embedding AIMP of Sr(2+) in SrB4O7
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
* Orbital collapse correction: B4p*1.5
********************************************************************************
M1
 15
  5.1948000000e5  1.0337700000e5  2.9385000000e4  9.4286000000e3  3.3311000000e3  1.2710300000e3  4.9770000000e2  1.9258000000e2 87.157000000000 39.892000000000 14.456900000000
  7.361200000000  2.279880000000  0.966150000000  0.484820000000
  0.124695148700  0.120306609400  0.204441029500  0.337216395800  0.531300271900  0.734498657000  0.849763248700  1.367032964000  2.172600514000  1.155895918000  3.116162427000
  3.530093097000  1.165266114000  2.217365179000  0.373362426400
M2
  0
COREREP
 1.0
PROJOP
    2
   23    4
  1.1897383070e3  1.6571539460e2 27.427597280000  3.411758248000
 1356926000.00000000
  141892800.00000000
   22561580.00000000
    4799192.00000000
    1219783.00000000
     353526.80000000
     113622.00000000
      39972.54000000
      15034.94000000
       5926.68000000
       2407.02100000
       1006.71100000
        433.08840000
        190.28210000
         83.26883000
         37.21683000
         16.95688000
          6.03293300
          2.73191800
          0.72816780
          0.32427680
          0.05551481
          0.02320024
 -0.000000340651  0.000000181950 -0.000000008149  0.000000036040
  0.000001034686 -0.000000663016  0.000000108859 -0.000000140399
  0.000117462180 -0.000037273402 -0.000016614867 -0.000005298035
  0.000244112556 -0.000083183164 -0.000030226861 -0.000012614320
  0.000643593916 -0.000202678674 -0.000092676137 -0.000028545420
  0.001505292436 -0.000510605412 -0.000190195181 -0.000077110287
  0.003442507457 -0.001116595221 -0.000478499151 -0.000160017593
  0.007764302751 -0.002590811566 -0.001045467504 -0.000379671806
  0.017891929039 -0.005974229665 -0.002478635255 -0.000874817336
  0.042507690752 -0.014587804436 -0.005973607211 -0.002131194458
  0.100764156203 -0.035796918350 -0.014953566786 -0.005312772378
  0.214675235736 -0.083955464807 -0.034936234511 -0.012487690420
  0.352302019486 -0.164658179874 -0.071862836607 -0.025683013904
  0.328063936573 -0.218173511992 -0.097004733023 -0.035248008849
  0.097408305277  0.020711814235  0.006717517527  0.002991899141
 -0.000362403301  0.571379625740  0.414249148707  0.160229394759
  0.001729106163  0.500447128026  0.466158924625  0.196546960624
 -0.000783057905  0.057812051502 -0.575040203921 -0.317973981095
  0.000349519066 -0.008345506603 -0.705899499886 -0.605612836504
 -0.000133753433  0.002594412038 -0.051340134789  0.628781355864
  0.000070827466 -0.001337256791  0.012425075055  0.659914610982
 -0.000019651248  0.000351202054 -0.002616466313 -0.001116386002
  0.000009449632 -0.000172134816  0.001332807897 -0.007351075624
   19    3
  1.4682774750e2 21.133697850000  2.550000000000
    1354707.00000000
     200274.80000000
      45452.31000000
      13185.88000000
       4532.65700000
       1769.61200000
        753.34270000
        343.27860000
        164.56650000
         81.88608000
         41.99079000
         21.99829000
         11.53409000
          5.98524000
          3.11546000
          1.59115000
          0.76550800
          0.35261350
          0.14713900
  0.000004183177 -0.000001718007  0.000000326593
  0.000039200961 -0.000016423035  0.000005408596
  0.000134638929 -0.000056426254  0.000018160946
  0.000494097675 -0.000207369523  0.000067476867
  0.001772102081 -0.000746172262  0.000240187326
  0.006229496672 -0.002634963332  0.000860032047
  0.020482189983 -0.008758900596  0.002822277788
  0.059545026332 -0.025967027413  0.008522585011
  0.145105824435 -0.065598711471  0.021275394531
  0.272109517586 -0.128903904660  0.043035330161
  0.350139193143 -0.175066209856  0.057029734671
  0.250933194028 -0.082485320773  0.026938546655
  0.076706188700  0.202320756902 -0.092027417113
  0.007093426420  0.457106942553 -0.187690457249
  0.000918741800  0.378085731754 -0.217314636775
 -0.000030726399  0.105841077449  0.123157538900
  0.000040455660  0.005855753091  0.431109576617
 -0.000018514127  0.000866888347  0.565436502235
 -0.000003049431 -0.000294878940  0.050137532004
   12    1
 10.700889690000
       1460.37800000
        408.20880000
        153.61230000
         66.61394000
         31.20552000
         15.42524000
          7.80898300
          4.00170300
          2.04947200
          1.01040800
          0.42661020
          0.36121430
  0.000207525566
  0.001941277345
  0.011063235742
  0.042892916162
  0.119961383065
  0.237079222898
  0.326276796150
  0.310273903141
  0.176716927680
  0.046721773866
  0.004268646913
 -0.001087438232
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Sr.EMB-AIMP.deJong.23s19p.1s1p.ECP.SrB4O7-Sr.
M. de Jong, A. Meijerink, R.A. Gordon, Z. Barandiaran, L. Seijo. J. Phys. Chem. C 118 (2014) 9696-9705. doi:10.1021/jp502996t
Embedding AIMP of Sr(2+) in SrB4O7 with orthogonality orbitals
     2.0   1
* s-type functions
   23    1
 1356926000.00000000
  141892800.00000000
   22561580.00000000
    4799192.00000000
    1219783.00000000
     353526.80000000
     113622.00000000
      39972.54000000
      15034.94000000
       5926.68000000
       2407.02100000
       1006.71100000
        433.08840000
        190.28210000
         83.26883000
         37.21683000
         16.95688000
          6.03293300
          2.73191800
          0.72816780
          0.32427680
          0.05551481
          0.02320024
  0.000000036040
 -0.000000140399
 -0.000005298035
 -0.000012614320
 -0.000028545420
 -0.000077110287
 -0.000160017593
 -0.000379671806
 -0.000874817336
 -0.002131194458
 -0.005312772378
 -0.012487690420
 -0.025683013904
 -0.035248008849
  0.002991899141
  0.160229394759
  0.196546960624
 -0.317973981095
 -0.605612836504
  0.628781355864
  0.659914610982
 -0.001116386002
 -0.007351075624
* p-type functions
   19    1
    1354707.00000000
     200274.80000000
      45452.31000000
      13185.88000000
       4532.65700000
       1769.61200000
        753.34270000
        343.27860000
        164.56650000
         81.88608000
         41.99079000
         21.99829000
         11.53409000
          5.98524000
          3.11546000
          1.59115000
          0.76550800
          0.35261350
          0.14713900
  0.000000326593
  0.000005408596
  0.000018160946
  0.000067476867
  0.000240187326
  0.000860032047
  0.002822277788
  0.008522585011
  0.021275394531
  0.043035330161
  0.057029734671
  0.026938546655
 -0.092027417113
 -0.187690457249
 -0.217314636775
  0.123157538900
  0.431109576617
  0.565436502235
  0.050137532004
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
* Orbital collapse correction: B4p*1.5
********************************************************************************
M1
 15
  5.1948000000e5  1.0337700000e5  2.9385000000e4  9.4286000000e3  3.3311000000e3  1.2710300000e3  4.9770000000e2  1.9258000000e2 87.157000000000 39.892000000000 14.456900000000
  7.361200000000  2.279880000000  0.966150000000  0.484820000000
  0.124695148700  0.120306609400  0.204441029500  0.337216395800  0.531300271900  0.734498657000  0.849763248700  1.367032964000  2.172600514000  1.155895918000  3.116162427000
  3.530093097000  1.165266114000  2.217365179000  0.373362426400
M2
  0
COREREP
 1.0
PROJOP
    2
   23    4
  1.1897383070e3  1.6571539460e2 27.427597280000  3.411758248000
 1356926000.00000000
  141892800.00000000
   22561580.00000000
    4799192.00000000
    1219783.00000000
     353526.80000000
     113622.00000000
      39972.54000000
      15034.94000000
       5926.68000000
       2407.02100000
       1006.71100000
        433.08840000
        190.28210000
         83.26883000
         37.21683000
         16.95688000
          6.03293300
          2.73191800
          0.72816780
          0.32427680
          0.05551481
          0.02320024
 -0.000000340651  0.000000181950 -0.000000008149  0.000000036040
  0.000001034686 -0.000000663016  0.000000108859 -0.000000140399
  0.000117462180 -0.000037273402 -0.000016614867 -0.000005298035
  0.000244112556 -0.000083183164 -0.000030226861 -0.000012614320
  0.000643593916 -0.000202678674 -0.000092676137 -0.000028545420
  0.001505292436 -0.000510605412 -0.000190195181 -0.000077110287
  0.003442507457 -0.001116595221 -0.000478499151 -0.000160017593
  0.007764302751 -0.002590811566 -0.001045467504 -0.000379671806
  0.017891929039 -0.005974229665 -0.002478635255 -0.000874817336
  0.042507690752 -0.014587804436 -0.005973607211 -0.002131194458
  0.100764156203 -0.035796918350 -0.014953566786 -0.005312772378
  0.214675235736 -0.083955464807 -0.034936234511 -0.012487690420
  0.352302019486 -0.164658179874 -0.071862836607 -0.025683013904
  0.328063936573 -0.218173511992 -0.097004733023 -0.035248008849
  0.097408305277  0.020711814235  0.006717517527  0.002991899141
 -0.000362403301  0.571379625740  0.414249148707  0.160229394759
  0.001729106163  0.500447128026  0.466158924625  0.196546960624
 -0.000783057905  0.057812051502 -0.575040203921 -0.317973981095
  0.000349519066 -0.008345506603 -0.705899499886 -0.605612836504
 -0.000133753433  0.002594412038 -0.051340134789  0.628781355864
  0.000070827466 -0.001337256791  0.012425075055  0.659914610982
 -0.000019651248  0.000351202054 -0.002616466313 -0.001116386002
  0.000009449632 -0.000172134816  0.001332807897 -0.007351075624
   19    3
  1.4682774750e2 21.133697850000  2.550000000000
    1354707.00000000
     200274.80000000
      45452.31000000
      13185.88000000
       4532.65700000
       1769.61200000
        753.34270000
        343.27860000
        164.56650000
         81.88608000
         41.99079000
         21.99829000
         11.53409000
          5.98524000
          3.11546000
          1.59115000
          0.76550800
          0.35261350
          0.14713900
  0.000004183177 -0.000001718007  0.000000326593
  0.000039200961 -0.000016423035  0.000005408596
  0.000134638929 -0.000056426254  0.000018160946
  0.000494097675 -0.000207369523  0.000067476867
  0.001772102081 -0.000746172262  0.000240187326
  0.006229496672 -0.002634963332  0.000860032047
  0.020482189983 -0.008758900596  0.002822277788
  0.059545026332 -0.025967027413  0.008522585011
  0.145105824435 -0.065598711471  0.021275394531
  0.272109517586 -0.128903904660  0.043035330161
  0.350139193143 -0.175066209856  0.057029734671
  0.250933194028 -0.082485320773  0.026938546655
  0.076706188700  0.202320756902 -0.092027417113
  0.007093426420  0.457106942553 -0.187690457249
  0.000918741800  0.378085731754 -0.217314636775
 -0.000030726399  0.105841077449  0.123157538900
  0.000040455660  0.005855753091  0.431109576617
 -0.000018514127  0.000866888347  0.565436502235
 -0.000003049431 -0.000294878940  0.050137532004
   12    1
 10.700889690000
       1460.37800000
        408.20880000
        153.61230000
         66.61394000
         31.20552000
         15.42524000
          7.80898300
          4.00170300
          2.04947200
          1.01040800
          0.42661020
          0.36121430
  0.000207525566
  0.001941277345
  0.011063235742
  0.042892916162
  0.119961383065
  0.237079222898
  0.326276796150
  0.310273903141
  0.176716927680
  0.046721773866
  0.004268646913
 -0.001087438232
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/B.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-B1.
M. de Jong, A. Meijerink, R.A. Gordon, Z. Barandiaran, L. Seijo. J. Phys. Chem. C 118 (2014) 9696-9705. doi:10.1021/jp502996t
Embedding AIMP of B1(3+) in SrB4O7
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  2.6339400000e5  2.9964400000e4  5.4451100000e3  1.2070010000e3  3.1217200000e2 92.864400000000 31.349200000000 11.825110000000  4.809730000000
  0.006107086726  0.009360784562  0.019166733930  0.036914569750  0.068193499820  0.122149215900  0.188562468100  0.171809577300  0.044402730500
M2
  0
COREREP
 1.0
PROJOP
    0
   12    1
 15.843921090000
    1348056.00000000
      12257.85000000
       1806.64100000
        406.47600000
        113.99080000
         36.85024000
         13.11091000
          4.96498700
          1.93652100
          0.50377510
          0.20607320
          0.07888486
  0.000006263549
  0.000280330631
  0.001719038600
  0.008713734635
  0.035226984238
  0.113844246389
  0.273589818359
  0.429103263688
  0.277361188835
  0.030019312736
 -0.023144281486
  0.001374587134
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/B.EMB-AIMP.deJong.12s.1s.ECP.SrB4O7-B1.
M. de Jong, A. Meijerink, R.A. Gordon, Z. Barandiaran, L. Seijo. J. Phys. Chem. C 118 (2014) 9696-9705. doi:10.1021/jp502996t
Embedding AIMP of B1(3+) in SrB4O7 with orthogonality orbitals
     3.0   0
* s-type functions
   12    1
    1348056.00000000
      12257.85000000
       1806.64100000
        406.47600000
        113.99080000
         36.85024000
         13.11091000
          4.96498700
          1.93652100
          0.50377510
          0.20607320
          0.07888486
  0.000006263549
  0.000280330631
  0.001719038600
  0.008713734635
  0.035226984238
  0.113844246389
  0.273589818359
  0.429103263688
  0.277361188835
  0.030019312736
 -0.023144281486
  0.001374587134
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  2.6339400000e5  2.9964400000e4  5.4451100000e3  1.2070010000e3  3.1217200000e2 92.864400000000 31.349200000000 11.825110000000  4.809730000000
  0.006107086726  0.009360784562  0.019166733930  0.036914569750  0.068193499820  0.122149215900  0.188562468100  0.171809577300  0.044402730500
M2
  0
COREREP
 1.0
PROJOP
    0
   12    1
 15.843921090000
    1348056.00000000
      12257.85000000
       1806.64100000
        406.47600000
        113.99080000
         36.85024000
         13.11091000
          4.96498700
          1.93652100
          0.50377510
          0.20607320
          0.07888486
  0.000006263549
  0.000280330631
  0.001719038600
  0.008713734635
  0.035226984238
  0.113844246389
  0.273589818359
  0.429103263688
  0.277361188835
  0.030019312736
 -0.023144281486
  0.001374587134
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/B.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-B2.
M. de Jong, A. Meijerink, R.A. Gordon, Z. Barandiaran, L. Seijo. J. Phys. Chem. C 118 (2014) 9696-9705. doi:10.1021/jp502996t
Embedding AIMP of B2(3+) in SrB4O7
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  2.6378400000e5  3.0022400000e4  5.4601100000e3  1.2106010000e3  3.1327200000e2 93.214400000000 31.459200000000 11.868110000000  4.829730000000
  0.006101995417  0.009347413900  0.019134070300  0.036849299290  0.068026974810  0.121898213600  0.188350397100  0.172059371700  0.044898930580
M2
  0
COREREP
 1.0
PROJOP
    0
   12    1
 16.052596470000
    1348056.00000000
      12257.85000000
       1806.64100000
        406.47600000
        113.99080000
         36.85024000
         13.11091000
          4.96498700
          1.93652100
          0.50377510
          0.20607320
          0.07888486
  0.000006263253
  0.000280320849
  0.001719003707
  0.008713342510
  0.035226558155
  0.113837094804
  0.273586915151
  0.429015729556
  0.277560466156
  0.030043903710
 -0.024037309706
  0.002519530128
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/B.EMB-AIMP.deJong.12s.1s.ECP.SrB4O7-B2.
M. de Jong, A. Meijerink, R.A. Gordon, Z. Barandiaran, L. Seijo. J. Phys. Chem. C 118 (2014) 9696-9705. doi:10.1021/jp502996t
Embedding AIMP of B2(3+) in SrB4O7 with orthogonality orbitals
     3.0   0
* s-type functions
   12    1
    1348056.00000000
      12257.85000000
       1806.64100000
        406.47600000
        113.99080000
         36.85024000
         13.11091000
          4.96498700
          1.93652100
          0.50377510
          0.20607320
          0.07888486
  0.000006263253
  0.000280320849
  0.001719003707
  0.008713342510
  0.035226558155
  0.113837094804
  0.273586915151
  0.429015729556
  0.277560466156
  0.030043903710
 -0.024037309706
  0.002519530128
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  2.6378400000e5  3.0022400000e4  5.4601100000e3  1.2106010000e3  3.1327200000e2 93.214400000000 31.459200000000 11.868110000000  4.829730000000
  0.006101995417  0.009347413900  0.019134070300  0.036849299290  0.068026974810  0.121898213600  0.188350397100  0.172059371700  0.044898930580
M2
  0
COREREP
 1.0
PROJOP
    0
   12    1
 16.052596470000
    1348056.00000000
      12257.85000000
       1806.64100000
        406.47600000
        113.99080000
         36.85024000
         13.11091000
          4.96498700
          1.93652100
          0.50377510
          0.20607320
          0.07888486
  0.000006263253
  0.000280320849
  0.001719003707
  0.008713342510
  0.035226558155
  0.113837094804
  0.273586915151
  0.429015729556
  0.277560466156
  0.030043903710
 -0.024037309706
  0.002519530128
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-O1.
M. de Jong, A. Meijerink, R.A. Gordon, Z. Barandiaran, L. Seijo. J. Phys. Chem. C 118 (2014) 9696-9705. doi:10.1021/jp502996t
Embedding AIMP of O1(2-) in SrB4O7
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.7804583000e5  3.3327012000e4  6.3311730000e3  1.5028260000e3  4.2727733000e2  1.3782700000e2 49.143619000000 17.958330000000  5.901836000000  2.266421600000  0.885150000000
  0.159242000000
 -0.022777722490 -0.033584602740 -0.066936874750 -0.121035214600 -0.211600399800 -0.355264397400 -0.485164882600 -0.449978716300 -0.631166622300 -1.182285478000 -1.432826343000
 -0.007378746211
M2
  0
COREREP
 1.0
PROJOP
    1
   12    2
 40.508627890000  2.291666081000
     109234.90000000
      15421.33000000
       3272.82800000
        870.10720000
        268.27060000
         91.49282000
         33.61740000
         13.04648000
          5.20352300
          1.47742900
          0.57775210
          0.21267430
  0.000121606823  0.000025790459
  0.000539596480  0.000116888043
  0.002449787661  0.000510113599
  0.010259588825  0.002279755662
  0.037778369069  0.007873481693
  0.116520895256  0.027851315816
  0.277222892987  0.064018574635
  0.421102183089  0.150388575828
  0.268138365557  0.101993573791
  0.025080215122 -0.127984305204
 -0.003981363790 -0.692069171013
  0.001558493776 -0.289630326903
    8    1
  0.791253223400
        366.40670000
         66.27956000
         18.74558000
          6.42686000
          2.44451300
          0.95771700
          0.36884010
          0.13644960
  0.000382420947
  0.004391484059
  0.025481230003
  0.087861700473
  0.231254956778
  0.296045982555
  0.643139904469
 -0.131568781919
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-O2.
M. de Jong, A. Meijerink, R.A. Gordon, Z. Barandiaran, L. Seijo. J. Phys. Chem. C 118 (2014) 9696-9705. doi:10.1021/jp502996t
Embedding AIMP of O2(2-) in SrB4O7
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.7385583000e5  3.2412012000e4  6.1045730000e3  1.4424260000e3  4.0913733000e2  1.3206700000e2 47.044619000000 17.042330000000  5.561736000000  2.200921600000  0.831440000000
  0.167902000000
 -0.022867396380 -0.034033442070 -0.068021170450 -0.123164729800 -0.215510430100 -0.360665302800 -0.486775351500 -0.444375977200 -0.644800421900 -1.143325190000 -1.450996262000
 -0.005464326513
M2
  0
COREREP
 1.0
PROJOP
    1
   12    2
 40.498019440000  2.218354121000
     109234.90000000
      15421.33000000
       3272.82800000
        870.10720000
        268.27060000
         91.49282000
         33.61740000
         13.04648000
          5.20352300
          1.47742900
          0.57775210
          0.21267430
  0.000121626364  0.000025511137
  0.000539685580  0.000115367441
  0.002450171232  0.000505755680
  0.010261342270  0.002245467464
  0.037784264684  0.007823218621
  0.116542673914  0.027377765564
  0.277272655364  0.063866124399
  0.421270860532  0.147068858314
  0.268064579571  0.105123510686
  0.024741491855 -0.149533491723
 -0.003922891382 -0.622161783152
  0.001495930003 -0.347580932857
    8    1
  0.695689639500
        366.40670000
         66.27956000
         18.74558000
          6.42686000
          2.44451300
          0.95771700
          0.36884010
          0.13644960
  0.000389476079
  0.004139669056
  0.026150665249
  0.081295940321
  0.245080046397
  0.246679482419
  0.675722935772
 -0.110149758880
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-O3.
M. de Jong, A. Meijerink, R.A. Gordon, Z. Barandiaran, L. Seijo. J. Phys. Chem. C 118 (2014) 9696-9705. doi:10.1021/jp502996t
Embedding AIMP of O3(2-) in SrB4O7
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.4048583000e5  3.3230012000e4  5.7894730000e3  1.2031260000e3  3.1170733000e2 93.817000000000 31.052619000000  9.134330000000  2.911036000000  0.739321600000  0.742090000000
  0.736672000000
 -0.023394395950 -0.032087088940 -0.075627515570 -0.144485945200 -0.264830682600 -0.444269662400 -0.534651279500 -0.611274411800 -1.062246088000 -1.0465984530e4  5.1822770670e3
  5.2819003280e3
M2
  0
COREREP
 1.0
PROJOP
    1
   12    2
 40.797446700000  2.526497002000
     109234.90000000
      15421.33000000
       3272.82800000
        870.10720000
        268.27060000
         91.49282000
         33.61740000
         13.04648000
          5.20352300
          1.47742900
          0.57775210
          0.21267430
  0.000121618455  0.000025606687
  0.000539651261  0.000115971011
  0.002450008661  0.000506889784
  0.010260700674  0.002260199762
  0.037781730892  0.007830075663
  0.116535848867  0.027593208727
  0.277250352264  0.063769158285
  0.421203016421  0.148709473615
  0.268077667342  0.103080582323
  0.024931273791 -0.139446038475
 -0.004030213000 -0.651097869092
  0.001602176405 -0.324446283041
    8    1
  1.047082760000
        366.40670000
         66.27956000
         18.74558000
          6.42686000
          2.44451300
          0.95771700
          0.36884010
          0.13644960
  0.000669904503
  0.007216961502
  0.044918443481
  0.142082009499
  0.418947352428
 -0.436125476046
  1.188378487920
 -0.152222661004
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.deJong.0s.0s.ECP.SrB4O7-O4.
M. de Jong, A. Meijerink, R.A. Gordon, Z. Barandiaran, L. Seijo. J. Phys. Chem. C 118 (2014) 9696-9705. doi:10.1021/jp502996t
Embedding AIMP of O4(2-) in SrB4O7
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.7356583000e5  3.2348012000e4  6.0889730000e3  1.4380260000e3  4.0713733000e2  1.3107700000e2 46.651619000000 16.876330000000  5.493236000000  2.129821600000  0.831110000000
  0.429752000000
 -0.022386621850 -0.033341075120 -0.066655704460 -0.120825388100 -0.212235151600 -0.355708556300 -0.476750997600 -0.423283731900 -0.600643963800 -1.091763078000 -1.296623774000
 -0.299781956900
M2
  0
COREREP
 1.0
PROJOP
    1
   12    2
 40.440945980000  2.252795696000
     109234.90000000
      15421.33000000
       3272.82800000
        870.10720000
        268.27060000
         91.49282000
         33.61740000
         13.04648000
          5.20352300
          1.47742900
          0.57775210
          0.21267430
  0.000121611557  0.000025642460
  0.000539618100  0.000116338784
  0.002449880903  0.000506627581
  0.010260017176  0.002271265258
  0.037779872113  0.007811453522
  0.116526934363  0.027772961036
  0.277235909372  0.063394883527
  0.421133432155  0.150259755788
  0.268122938843  0.099717016700
  0.025018685272 -0.122474775608
 -0.004003549693 -0.687781358094
  0.001583803765 -0.298138221809
    8    1
  0.684368538600
        366.40670000
         66.27956000
         18.74558000
          6.42686000
          2.44451300
          0.95771700
          0.36884010
          0.13644960
  0.000340703718
  0.003761958464
  0.022794634531
  0.074611030463
  0.210225441607
  0.240186538177
  0.582542450316
  0.094961113288
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.5.6. Lu2O3
********************************************************************************
*           E.5.6.a. Lu2O3
*             /Lu.EMB-AIMP.Pascual.0s.0s.ECP.Lu2O3-Lu(1).
*             /Lu.EMB-AIMP.Pascual.14s10p.1s1p.ECP.Lu2O3-Lu(1).
*             /Lu.EMB-AIMP.Pascual.0s.0s.ECP.Lu2O3-Lu(2).
*             /Lu.EMB-AIMP.Pascual.14s10p.1s1p.ECP.Lu2O3-Lu(2).
*             /O.EMB-AIMP.Pascual.0s.0s.ECP.Lu2O3.
********************************************************************************
*   Structure:
*     Wyckoff
*     L. Marsella, V. Fiorentini. Phys. Rev. B 69 (2004) 172103. doi:10.1103/physrevb.69.172103
*     No. 206: Ia3 cubic.
*     a=10.391 A (Wyckoff)
*     u=-0.0330, x(O)=0.3912, y(O)=0.1521, z(O)=0.3800 (Marsella)
*   Embedding potentials:
*     J.L. Pascual, Z. Barandiaran, L. Seijo. Theor. Chem. Acc. 129 (2011) 545-554. doi:10.1007/s00214-011-0894-z
*     Out of SCEI HF calculations
********************************************************************************

/Lu.EMB-AIMP.Pascual.0s.0s.ECP.Lu2O3-Lu(1).
J.L. Pascual, Z. Barandiaran, L. Seijo. Theor. Chem. Acc. 129 (2011) 545-554. doi:10.1007/s00214-011-0894-z
Embedding potential of Lu3+(1) in Lu2O3
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.0482000000e5  9.9568000000e4  2.9117000000e4  9.4277000000e3  3.3166000000e3  1.1275300000e3  4.3063000000e2  1.6873000000e2 67.235000000000 39.739000000000 11.138200000000
  5.824600000000  2.154380000000  1.049800000000  0.493380000000
  0.211381959500  0.205941236100  0.337407697500  0.549583544800  0.745128348100  1.015513143000  2.196628908000  1.080480230000  3.918346006000  1.296348146000  4.585697704000
  3.013738602000  1.994909473000  1.470530401000  0.045031266590
M2
  0
COREREP
 1.0
PROJOP
    3
   14    5
  4.6925203000e3  8.0882520000e2  1.8747653000e2 39.463790000000  4.001359382000
    3354445.51000000
     246653.38200000
      31974.99940000
       5529.10070000
       1291.88235000
        144.91515200
         80.54837370
         22.67860910
          4.76954934
          2.55330247
       8990.48259e-4
       4016.90938e-4
       8082.07981e-5
        315.84208e-4
  0.002672954131  0.000866361953  0.000367468315  0.000188712090  0.000082113078
  0.012140448712  0.005557662389  0.002863448713  0.001341233029  0.000552594964
  0.086762814740  0.031467463396  0.014087982807  0.007069941392  0.002983677108
  0.281470400063  0.135095368641  0.068241293770  0.032736637997  0.014702131238
  0.674468548767  0.329693761299  0.158626444872  0.079684686933  0.031209487653
  0.310516235671 -0.566911763017 -0.552530433787 -0.339591094258 -0.136902525272
 -0.245886517627 -0.468743496927 -0.386048219487 -0.183850674539 -0.073263929878
  0.072606374921 -0.067329537032  1.168957599672  1.198347803031  0.553509791376
 -0.052501922965  0.034884944821  0.314031891027 -1.013873968315 -0.851766646681
  0.044950962018 -0.032518715938 -0.208075721631 -0.309107381894 -0.249095408987
 -0.021531310520  0.014263384428  0.081360649463 -0.028821746783  0.822993975583
  0.009808147749 -0.006424857533 -0.035540019625  0.006720741208  0.555021062610
 -0.002597387213  0.001691749322  0.009168857192 -0.001427032666 -0.066120801254
  0.001113619814 -0.000724768694 -0.003916673102  0.000595628138  0.023002451554
   10    4
  7.1295695000e2  1.5805266000e2 29.596045000000  1.445813326000
       3625.75742000
        791.48107300
        237.47115500
         34.76965740
         15.75068480
          7.90135902
          4.04306108
          1.12207481
       5150.51175e-4
          0.21093501
  0.054644944585  0.022220431587  0.009742327232 -0.002530895582
  0.157196142067  0.110949701357  0.058094864175 -0.021834324165
  0.742759465984  0.360180827195  0.167724173198 -0.060247951291
  0.464701257446 -0.591216899695 -0.518780097826  0.196698171551
 -0.455335776617 -0.471973290333 -0.172075010942  0.072678587751
  0.344621679936  0.020010180518  0.464361533956 -0.290717910289
 -0.152294013262 -0.028312418531  0.663617126738 -0.297707716486
  0.051432660938  0.008852229642  0.113208020162  0.428139052222
 -0.032720545704 -0.005549092750 -0.041054869995  0.677170225669
  0.009913919240  0.001682113724  0.010917079891  0.030527875470
   10    2
  1.2186387000e2 16.343905000000
       1080.00000000
        335.40000000
        134.50000000
         60.82000000
         29.45000000
         14.72000000
          7.43500000
          3.73900000
          1.83000000
          0.78860000
  0.008528807731  0.004179960922
  0.055794033204  0.027743557144
  0.192289000704  0.097617294508
  0.376014201377  0.189653330987
  0.391076911432  0.155048990807
  0.170345400624 -0.157524120820
  0.023007279084 -0.451092072347
  0.001127887304 -0.397120602066
 -0.000101596250 -0.147997200770
  0.000061458290 -0.016220507084
    8    1
  0.276427138000
        226.96369700
         77.48624590
         31.90399690
         14.28171460
          6.49645053
          2.87797100
          1.19299291
       4337.07639e-4
 -0.004324952508
 -0.031204925824
 -0.115698404315
 -0.258092325999
 -0.357671297619
 -0.341829628023
 -0.230647163694
 -0.084334666643
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Lu.EMB-AIMP.Pascual.14s10p.1s1p.ECP.Lu2O3-Lu(1).
J.L. Pascual, Z. Barandiaran, L. Seijo. Theor. Chem. Acc. 129 (2011) 545-554. doi:10.1007/s00214-011-0894-z
Embedding potential of Lu3+(1) in Lu2O3 with orthogonality orbitals
     3.0   1
* s-type functions
   14    1
    3354445.51000000
     246653.38200000
      31974.99940000
       5529.10070000
       1291.88235000
        144.91515200
         80.54837370
         22.67860910
          4.76954934
          2.55330247
       8990.48259e-4
       4016.90938e-4
       8082.07981e-5
        315.84208e-4
  0.000082113078
  0.000552594964
  0.002983677108
  0.014702131238
  0.031209487653
 -0.136902525272
 -0.073263929878
  0.553509791376
 -0.851766646681
 -0.249095408987
  0.822993975583
  0.555021062610
 -0.066120801254
  0.023002451554
* p-type functions
   10    1
       3625.75742000
        791.48107300
        237.47115500
         34.76965740
         15.75068480
          7.90135902
          4.04306108
          1.12207481
       5150.51175e-4
          0.21093501
 -0.002530895582
 -0.021834324165
 -0.060247951291
  0.196698171551
  0.072678587751
 -0.290717910289
 -0.297707716486
  0.428139052222
  0.677170225669
  0.030527875470
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.0482000000e5  9.9568000000e4  2.9117000000e4  9.4277000000e3  3.3166000000e3  1.1275300000e3  4.3063000000e2  1.6873000000e2 67.235000000000 39.739000000000 11.138200000000
  5.824600000000  2.154380000000  1.049800000000  0.493380000000
  0.211381959500  0.205941236100  0.337407697500  0.549583544800  0.745128348100  1.015513143000  2.196628908000  1.080480230000  3.918346006000  1.296348146000  4.585697704000
  3.013738602000  1.994909473000  1.470530401000  0.045031266590
M2
  0
COREREP
 1.0
PROJOP
    3
   14    5
  4.6925203000e3  8.0882520000e2  1.8747653000e2 39.463790000000  4.001359382000
    3354445.51000000
     246653.38200000
      31974.99940000
       5529.10070000
       1291.88235000
        144.91515200
         80.54837370
         22.67860910
          4.76954934
          2.55330247
       8990.48259e-4
       4016.90938e-4
       8082.07981e-5
        315.84208e-4
  0.002672954131  0.000866361953  0.000367468315  0.000188712090  0.000082113078
  0.012140448712  0.005557662389  0.002863448713  0.001341233029  0.000552594964
  0.086762814740  0.031467463396  0.014087982807  0.007069941392  0.002983677108
  0.281470400063  0.135095368641  0.068241293770  0.032736637997  0.014702131238
  0.674468548767  0.329693761299  0.158626444872  0.079684686933  0.031209487653
  0.310516235671 -0.566911763017 -0.552530433787 -0.339591094258 -0.136902525272
 -0.245886517627 -0.468743496927 -0.386048219487 -0.183850674539 -0.073263929878
  0.072606374921 -0.067329537032  1.168957599672  1.198347803031  0.553509791376
 -0.052501922965  0.034884944821  0.314031891027 -1.013873968315 -0.851766646681
  0.044950962018 -0.032518715938 -0.208075721631 -0.309107381894 -0.249095408987
 -0.021531310520  0.014263384428  0.081360649463 -0.028821746783  0.822993975583
  0.009808147749 -0.006424857533 -0.035540019625  0.006720741208  0.555021062610
 -0.002597387213  0.001691749322  0.009168857192 -0.001427032666 -0.066120801254
  0.001113619814 -0.000724768694 -0.003916673102  0.000595628138  0.023002451554
   10    4
  7.1295695000e2  1.5805266000e2 29.596045000000  1.445813326000
       3625.75742000
        791.48107300
        237.47115500
         34.76965740
         15.75068480
          7.90135902
          4.04306108
          1.12207481
       5150.51175e-4
          0.21093501
  0.054644944585  0.022220431587  0.009742327232 -0.002530895582
  0.157196142067  0.110949701357  0.058094864175 -0.021834324165
  0.742759465984  0.360180827195  0.167724173198 -0.060247951291
  0.464701257446 -0.591216899695 -0.518780097826  0.196698171551
 -0.455335776617 -0.471973290333 -0.172075010942  0.072678587751
  0.344621679936  0.020010180518  0.464361533956 -0.290717910289
 -0.152294013262 -0.028312418531  0.663617126738 -0.297707716486
  0.051432660938  0.008852229642  0.113208020162  0.428139052222
 -0.032720545704 -0.005549092750 -0.041054869995  0.677170225669
  0.009913919240  0.001682113724  0.010917079891  0.030527875470
   10    2
  1.2186387000e2 16.343905000000
       1080.00000000
        335.40000000
        134.50000000
         60.82000000
         29.45000000
         14.72000000
          7.43500000
          3.73900000
          1.83000000
          0.78860000
  0.008528807731  0.004179960922
  0.055794033204  0.027743557144
  0.192289000704  0.097617294508
  0.376014201377  0.189653330987
  0.391076911432  0.155048990807
  0.170345400624 -0.157524120820
  0.023007279084 -0.451092072347
  0.001127887304 -0.397120602066
 -0.000101596250 -0.147997200770
  0.000061458290 -0.016220507084
    8    1
  0.276427138000
        226.96369700
         77.48624590
         31.90399690
         14.28171460
          6.49645053
          2.87797100
          1.19299291
       4337.07639e-4
 -0.004324952508
 -0.031204925824
 -0.115698404315
 -0.258092325999
 -0.357671297619
 -0.341829628023
 -0.230647163694
 -0.084334666643
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Lu.EMB-AIMP.Pascual.0s.0s.ECP.Lu2O3-Lu(2).
J.L. Pascual, Z. Barandiaran, L. Seijo. Theor. Chem. Acc. 129 (2011) 545-554. doi:10.1007/s00214-011-0894-z
Embedding potential of Lu3+(2) in Lu2O3
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.0632000000e5  9.9548000000e4  2.9097000000e4  9.4291000000e3  3.3168000000e3  1.1278900000e3  4.3093000000e2  1.6916000000e2 67.370000000000 39.948000000000 11.151700000000
  5.840400000000  2.160480000000  1.054000000000  0.500430000000
  0.211308451800  0.206309642300  0.337523972000  0.549267431600  0.745998918300  1.014383064000  2.197616644000  1.075403328000  3.915854232000  1.299757281000  4.610406925000
  2.980085097000  2.041084286000  1.477038160000  0.004629232562
M2
  0
COREREP
 1.0
PROJOP
    3
   14    5
  4.6925203000e3  8.0882520000e2  1.8747653000e2 39.463790000000  4.223373153000
    3354445.51000000
     246653.38200000
      31974.99940000
       5529.10070000
       1291.88235000
        144.91515200
         80.54837370
         22.67860910
          4.76954934
          2.55330247
       8990.48259e-4
       4016.90938e-4
       8082.07981e-5
        315.84208e-4
  0.002672954131  0.000866361953  0.000367468315  0.000188712090  0.000082130566
  0.012140448712  0.005557662389  0.002863448713  0.001341233029  0.000552712647
  0.086762814740  0.031467463396  0.014087982807  0.007069941392  0.002984312525
  0.281470400063  0.135095368641  0.068241293770  0.032736637997  0.014705262270
  0.674468548767  0.329693761299  0.158626444872  0.079684686933  0.031216134165
  0.310516235671 -0.566911763017 -0.552530433787 -0.339591094258 -0.136931680647
 -0.245886517627 -0.468743496927 -0.386048219487 -0.183850674539 -0.073279532492
  0.072606374921 -0.067329537032  1.168957599672  1.198347803031  0.553627669298
 -0.052501922965  0.034884944821  0.314031891027 -1.013873968315 -0.852165781365
  0.044950962018 -0.032518715938 -0.208075721631 -0.309107381894 -0.248591562290
 -0.021531310520  0.014263384428  0.081360649463 -0.028821746783  0.822633270436
  0.009808147749 -0.006424857533 -0.035540019625  0.006720741208  0.555235108159
 -0.002597387213  0.001691749322  0.009168857192 -0.001427032666 -0.065995898772
  0.001113619814 -0.000724768694 -0.003916673102  0.000595628138  0.022634933912
   10    4
  7.1295695000e2  1.5805266000e2 29.596045000000  1.665187966000
       3625.75742000
        791.48107300
        237.47115500
         34.76965740
         15.75068480
          7.90135902
          4.04306108
          1.12207481
       5150.51175e-4
          0.21093501
  0.054644944585  0.022220431587  0.009742327232  0.002639360767
  0.157196142067  0.110949701357  0.058094864175  0.022770065659
  0.742759465984  0.360180827195  0.167724173198  0.062829964251
  0.464701257446 -0.591216899695 -0.518780097826 -0.205127955753
 -0.455335776617 -0.471973290333 -0.172075010942 -0.075793333588
  0.344621679936  0.020010180518  0.464361533956  0.303177046174
 -0.152294013262 -0.028312418531  0.663617126738  0.310563856096
  0.051432660938  0.008852229642  0.113208020162 -0.447825863437
 -0.032720545704 -0.005549092750 -0.041054869995 -0.702273736696
  0.009913919240  0.001682113724  0.010917079891  0.026257172596
   10    2
  1.2186387000e2 16.343905000000
       1080.00000000
        335.40000000
        134.50000000
         60.82000000
         29.45000000
         14.72000000
          7.43500000
          3.73900000
          1.83000000
          0.78860000
  0.008528807731  0.004179960922
  0.055794033204  0.027743557144
  0.192289000704  0.097617294508
  0.376014201377  0.189653330987
  0.391076911432  0.155048990807
  0.170345400624 -0.157524120820
  0.023007279084 -0.451092072347
  0.001127887304 -0.397120602066
 -0.000101596250 -0.147997200770
  0.000061458290 -0.016220507084
    8    1
  0.499784586900
        226.96369700
         77.48624590
         31.90399690
         14.28171460
          6.49645053
          2.87797100
          1.19299291
       4337.07639e-4
 -0.004325377271
 -0.031207990531
 -0.115709767321
 -0.258117673839
 -0.357706425339
 -0.341886108589
 -0.230300447086
 -0.084705583827
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Lu.EMB-AIMP.Pascual.14s10p.1s1p.ECP.Lu2O3-Lu(2).
J.L. Pascual, Z. Barandiaran, L. Seijo. Theor. Chem. Acc. 129 (2011) 545-554. doi:10.1007/s00214-011-0894-z
Embedding potential of Lu3+(2) in Lu2O3 with orthogonality orbitals
     3.0   1
* s-type functions
   14    1
    3354445.51000000
     246653.38200000
      31974.99940000
       5529.10070000
       1291.88235000
        144.91515200
         80.54837370
         22.67860910
          4.76954934
          2.55330247
       8990.48259e-4
       4016.90938e-4
       8082.07981e-5
        315.84208e-4
  0.000082130566
  0.000552712647
  0.002984312525
  0.014705262270
  0.031216134165
 -0.136931680647
 -0.073279532492
  0.553627669298
 -0.852165781365
 -0.248591562290
  0.822633270436
  0.555235108159
 -0.065995898772
  0.022634933912
* p-type functions
   10    1
       3625.75742000
        791.48107300
        237.47115500
         34.76965740
         15.75068480
          7.90135902
          4.04306108
          1.12207481
       5150.51175e-4
          0.21093501
  0.002639360767
  0.022770065659
  0.062829964251
 -0.205127955753
 -0.075793333588
  0.303177046174
  0.310563856096
 -0.447825863437
 -0.702273736696
  0.026257172596
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.0632000000e5  9.9548000000e4  2.9097000000e4  9.4291000000e3  3.3168000000e3  1.1278900000e3  4.3093000000e2  1.6916000000e2 67.370000000000 39.948000000000 11.151700000000
  5.840400000000  2.160480000000  1.054000000000  0.500430000000
  0.211308451800  0.206309642300  0.337523972000  0.549267431600  0.745998918300  1.014383064000  2.197616644000  1.075403328000  3.915854232000  1.299757281000  4.610406925000
  2.980085097000  2.041084286000  1.477038160000  0.004629232562
M2
  0
COREREP
 1.0
PROJOP
    3
   14    5
  4.6925203000e3  8.0882520000e2  1.8747653000e2 39.463790000000  4.223373153000
    3354445.51000000
     246653.38200000
      31974.99940000
       5529.10070000
       1291.88235000
        144.91515200
         80.54837370
         22.67860910
          4.76954934
          2.55330247
       8990.48259e-4
       4016.90938e-4
       8082.07981e-5
        315.84208e-4
  0.002672954131  0.000866361953  0.000367468315  0.000188712090  0.000082130566
  0.012140448712  0.005557662389  0.002863448713  0.001341233029  0.000552712647
  0.086762814740  0.031467463396  0.014087982807  0.007069941392  0.002984312525
  0.281470400063  0.135095368641  0.068241293770  0.032736637997  0.014705262270
  0.674468548767  0.329693761299  0.158626444872  0.079684686933  0.031216134165
  0.310516235671 -0.566911763017 -0.552530433787 -0.339591094258 -0.136931680647
 -0.245886517627 -0.468743496927 -0.386048219487 -0.183850674539 -0.073279532492
  0.072606374921 -0.067329537032  1.168957599672  1.198347803031  0.553627669298
 -0.052501922965  0.034884944821  0.314031891027 -1.013873968315 -0.852165781365
  0.044950962018 -0.032518715938 -0.208075721631 -0.309107381894 -0.248591562290
 -0.021531310520  0.014263384428  0.081360649463 -0.028821746783  0.822633270436
  0.009808147749 -0.006424857533 -0.035540019625  0.006720741208  0.555235108159
 -0.002597387213  0.001691749322  0.009168857192 -0.001427032666 -0.065995898772
  0.001113619814 -0.000724768694 -0.003916673102  0.000595628138  0.022634933912
   10    4
  7.1295695000e2  1.5805266000e2 29.596045000000  1.665187966000
       3625.75742000
        791.48107300
        237.47115500
         34.76965740
         15.75068480
          7.90135902
          4.04306108
          1.12207481
       5150.51175e-4
          0.21093501
  0.054644944585  0.022220431587  0.009742327232  0.002639360767
  0.157196142067  0.110949701357  0.058094864175  0.022770065659
  0.742759465984  0.360180827195  0.167724173198  0.062829964251
  0.464701257446 -0.591216899695 -0.518780097826 -0.205127955753
 -0.455335776617 -0.471973290333 -0.172075010942 -0.075793333588
  0.344621679936  0.020010180518  0.464361533956  0.303177046174
 -0.152294013262 -0.028312418531  0.663617126738  0.310563856096
  0.051432660938  0.008852229642  0.113208020162 -0.447825863437
 -0.032720545704 -0.005549092750 -0.041054869995 -0.702273736696
  0.009913919240  0.001682113724  0.010917079891  0.026257172596
   10    2
  1.2186387000e2 16.343905000000
       1080.00000000
        335.40000000
        134.50000000
         60.82000000
         29.45000000
         14.72000000
          7.43500000
          3.73900000
          1.83000000
          0.78860000
  0.008528807731  0.004179960922
  0.055794033204  0.027743557144
  0.192289000704  0.097617294508
  0.376014201377  0.189653330987
  0.391076911432  0.155048990807
  0.170345400624 -0.157524120820
  0.023007279084 -0.451092072347
  0.001127887304 -0.397120602066
 -0.000101596250 -0.147997200770
  0.000061458290 -0.016220507084
    8    1
  0.499784586900
        226.96369700
         77.48624590
         31.90399690
         14.28171460
          6.49645053
          2.87797100
          1.19299291
       4337.07639e-4
 -0.004325377271
 -0.031207990531
 -0.115709767321
 -0.258117673839
 -0.357706425339
 -0.341886108589
 -0.230300447086
 -0.084705583827
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Pascual.0s.0s.ECP.Lu2O3.
J.L. Pascual, Z. Barandiaran, L. Seijo. Theor. Chem. Acc. 129 (2011) 545-554. doi:10.1007/s00214-011-0894-z
Embedding potential of O2- in Lu2O3
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  1.9017738200e5  1.6420181400e4  2.5595618400e3  5.5309205000e2  1.4647366900e2 45.058029000000 13.884447900000  3.979139700000  1.451139770000  0.514777980000  0.073879400000
 -0.028764545460 -0.052847368520 -0.111917375500 -0.209991709500 -0.389387018700 -0.534163066600 -0.489602070800 -0.829781533000 -1.328344123000 -1.021434047000 -0.003767141842
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 41.170388220000  2.742237944000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006202992445  0.001314597024
  0.045645264993  0.009513264751
  0.200092107604  0.046820949691
  0.473857209397  0.111117635182
  0.380503174813  0.087234029255
  0.029237345690  0.078926315217
  0.024312387884 -0.448245306296
 -0.005534583993 -0.653155904207
    6    1
  1.266924222000
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013196355508
 -0.082590580541
 -0.255945286493
 -0.392947449184
 -0.560553713961
  0.103452253666
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*    E.6. Zeolite related data
********************************************************************************
*         E.6.1. Quartz
********************************************************************************
*           E.6.1.a. Quartz
*             /Si.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Quartz.
*             /O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Quartz.
********************************************************************************
*         E.6.2. Dehydrated Na-A zeolite
********************************************************************************
*           E.6.2.a. Dehydrated Na-A zeolite [1 aimp for 3 different oxygens]
*             /Si.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA.
*             /Al.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA.
*             /O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA.
*             /Na.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA.
*           E.6.2.b. Dehydrated Na-A zeolite [3 aimp's for 3 different oxygens]
*             /Si.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO.
*             /Al.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO.
*             /O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO-O(1).
*             /O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO-O(2).
*             /O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO-O(3).
*             /Na.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO.
********************************************************************************

********************************************************************************
*         E.6.1. Quartz
********************************************************************************
*           E.6.1.a. Quartz
*             /Si.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Quartz.
*             /O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Quartz.
*         E.6.1. Quartz
********************************************************************************
*   Quartz: Prototype tetrahedral silicate, model for Zeolites.
*   SiO2
*   No. 152: (P 31 2 1) trigonal.
*     (a): Si
*     (c): O
*   a = 4.9147 A, c = 5.4066 A
*   x(Si) = 0.4682, x(O) = 0.4131, y(O) = 0.2661, z(O) = 0.2131
********************************************************************************

/Si.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Quartz.
A.R. Ruiz-Salvador, Z. Barandiaran, L. Seijo. Unpublished.
From a SCEI calculation in SiO2-Quartz
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.5136000000e5  5.1370000000e4  1.1410000000e4  3.0479000000e3  9.4402000000e2  3.2295000000e2  1.1751200000e2 41.243000000000 13.942000000000  5.689100000000  2.398200000000
  0.018781699380  0.023702879280  0.044185458820  0.077239192830  0.131098760200  0.215900970100  0.272311385400  0.273344779100  0.577645411400  0.699932040400  0.165857423100
M2
  0
COREREP
 1.0
PROJOP
    1
   10    2
  1.3720015500e2 11.716927510000
       6786.31000000
       1016.12000000
        231.12100000
         64.95240000
         19.97920000
         34.66070000
          3.57830000
          1.31334000
          1.74774000
          0.23107700
  0.005749302714 -0.001550684635
  0.042768959233 -0.011515731123
  0.191707524624 -0.056789913348
  0.461731189921 -0.149916185500
  0.380408584183 -0.145910290669
  0.042851855471 -0.072324239390
  0.054769497446  0.633510035278
  0.042997240920  0.599000532619
 -0.069100817103 -0.095836105858
 -0.001756133165 -0.027021277867
    7    1
  8.001025529000
        164.19700000
         38.01650000
         11.64390000
          3.91835000
          1.33111000
          0.45029100
          0.16385500
  0.011673593205
  0.081392496016
  0.282691893773
  0.503364711059
  0.324744501811
  0.011586664801
  0.009082991593
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Quartz.
A.R. Ruiz-Salvador, Z. Barandiaran, L. Seijo. Unpublished.
From a SCEI calculation in SiO2-Quartz
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.6809183000e5  3.1602012000e4  5.9247830000e3  1.3950860000e3  3.9363433000e2  1.2340500000e2 42.184219000000 14.161630000000  4.435936000000  1.687241600000  0.685600000000
  0.273010000000
 -0.022445930460 -0.033528458330 -0.067259831700 -0.121838523700 -0.217007680300 -0.377305121600 -0.500075797000 -0.442053891900 -0.703983550900 -1.256503837000 -1.004217374000
 -0.253780003700
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.771550550000  2.530539708000
       2048.05000000
        309.09900000
         70.41410000
         19.70110000
          6.03145000
         10.22970000
          0.93409200
          0.28624700
  0.006200828600  0.001332059556
  0.045630917449  0.009804163488
  0.200005845792  0.046858222676
  0.473732338557  0.121786912152
  0.380966395861  0.119354767436
  0.028751120286  0.052256860835
  0.025097944770 -0.500129695731
 -0.005860207248 -0.610727816569
    6    1
  1.067088673000
         34.97120000
          7.84509000
          2.30332000
          0.72198200
          0.21552700
          0.05900000
  0.012379508960
  0.083238613872
  0.228282499169
  0.462441122955
  0.426461512650
  0.065677603370
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.6.2. Dehydrated Na-A zeolite
********************************************************************************
*           E.6.2.a. Dehydrated Na-A zeolite [1 aimp for 3 different oxygens]
*             /Si.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA.
*             /Al.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA.
*             /O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA.
*             /Na.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA.
********************************************************************************
*   Dehydrated Zeolite Na-A lattice.
*   SiAlNaO2/ Si96 Al96 Na96 O192
*   No. 226: Oh6(Fm3-c) cubic.
*   Positions:
*     (i): Si, Al, O(1), Na(2)[idealized to position (d)]
*     (j): O(3)
*     (g): Na(1)
*     (h): Na(3)[idealized to position(a)]
*   a = 24.555 A
*   x(Si) = 0.09316, y(Si) = 0.18499
*   y(Al) = 0.18715, z(Al) = 0.09042
*   y(O1) = 0.11367, z(O1) = 0.24663
*   y(O2) = 0.14459, z(O2) = 0.14591
*   x(O3) = 0.05379, y(O3) = 0.05865, z(O3) = 0.17152
*   x(Na1) = 0.0996
*   y(Na2) = 0.2165 -> 0.25, z(Na2) = 0.2111 -> 0.25
*   y(Na3) = 0.1060
********************************************************************************

/Si.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA.
A.R. Ruiz-Salvador, Z. Barandiaran, L. Seijo. Unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 1 type of oxygen MP
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.5697000000e5  5.2887000000e4  1.1854000000e4  3.1874000000e3  9.9387000000e2  3.4078000000e2  1.2471000000e2 44.606000000000 14.930000000000  6.093200000000  2.637800000000
  0.018591293460  0.023133832040  0.043264377150  0.074670409990  0.127503636600  0.209020333200  0.270587349200  0.264425703900  0.549783781900  0.703993179900  0.215026102800
M2
  0
COREREP
 1.0
PROJOP
    1
   10    2
  1.3779706740e2 12.308682740000
       6786.31000000
       1016.12000000
        231.12100000
         64.95240000
         19.97920000
         34.66070000
          3.57830000
          1.31334000
          1.74774000
          0.23107700
  0.005749308492 -0.001551151396
  0.042768984321 -0.011519524199
  0.191707737074 -0.056806116411
  0.461730998090 -0.149983115516
  0.380405894022 -0.146028792362
  0.042854826673 -0.072292084779
  0.054777837613  0.634201925193
  0.043044712428  0.602355751220
 -0.069147069820 -0.098521606568
 -0.001787610048 -0.029490787899
    7    1
  8.600698450000
        164.19700000
         38.01650000
         11.64390000
          3.91835000
          1.33111000
          0.45029100
          0.16385500
  0.011670270129
  0.081361558481
  0.282615352662
  0.503113119418
  0.325079746833
  0.011503119058
  0.009590160205
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA.
A.R. Ruiz-Salvador, Z. Barandiaran, L. Seijo. Unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 1 type of oxygen MP
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.4320000000e5  4.9158000000e4  1.0706000000e4  2.8171000000e3  8.6680000000e2  2.9410000000e2  1.0630300000e2 36.737000000000 12.009000000000  4.845400000000  2.071200000000
  0.023315464710  0.029844883650  0.056582291850  0.098153240120  0.168347459400  0.277419419200  0.362810906400  0.359828875100  0.748915028500  0.922451739300  0.285664025200
M2
  0
COREREP
 1.0
PROJOP
    1
   10    2
  1.1626300820e2  8.994786198000
       5908.58000000
        885.12100000
        200.72800000
         56.13330000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
  0.005666289513 -0.001491413937
  0.042200303798 -0.011076058127
  0.190339646672 -0.054945101554
  0.462184919195 -0.145587391292
  0.382667618097 -0.141138944110
  0.042993118805 -0.072142534504
  0.050600734176  0.615593144128
  0.062544874565  0.621076854430
 -0.085006019865 -0.102540843198
 -0.001694331315 -0.028039501927
    7    1
  5.679173251000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00155000
          0.31050500
          0.11242400
  0.013902829197
  0.091333302510
  0.296806793611
  0.497173447164
  0.316160651771
  0.005771031735
  0.010079340243
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA.
A.R. Ruiz-Salvador, Z. Barandiaran, L. Seijo. Unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 1 type of oxygen MP
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.4879183000e5  2.7601012000e4  4.9760830000e3  1.1549860000e3  3.2703433000e2  1.0405500000e2 35.838219000000 11.491630000000  3.557936000000  1.339341600000  0.531700000000
  0.232480000000
 -0.023592327570 -0.036800646270 -0.074665526690 -0.134585594800 -0.238232347700 -0.402965936900 -0.502465893100 -0.456793284500 -0.865795428200 -1.316146126000 -0.805656409700
 -0.142300478200
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.838836060000  2.541544173000
       2048.05000000
        309.09900000
         70.41410000
         19.70110000
          6.03145000
         10.22970000
          0.93409200
          0.28624700
  0.006201315090  0.001332773179
  0.045634164003  0.009783832346
  0.200025624317  0.046977553777
  0.473760945023  0.120438683214
  0.380867416920  0.114607697193
  0.028854766059  0.056653088692
  0.024924839400 -0.496029964667
 -0.005794042671 -0.613796418011
    6    1
  1.089259521000
         34.97120000
          7.84509000
          2.30332000
          0.72198200
          0.21552700
          0.05900000
  0.012410677231
  0.082287790969
  0.231265110741
  0.445243274767
  0.444808828651
  0.063282838148
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA.
A.R. Ruiz-Salvador, Z. Barandiaran, L. Seijo. Unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 1 type of oxygen MP
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.9100000000e5  3.6290000000e4  7.1370000000e3  1.7527000000e3  5.2180000000e2  1.7101000000e2 60.520000000000 19.172000000000  7.841000000000  3.213600000000  1.129500000000
  0.063021069360  0.090109051590  0.176234772500  0.318175952100  0.538869440500  0.912314066700  1.026823971000  1.148145761000  1.521384181000  3.198825771000  1.006095963000
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 80.491394770000  5.124253075000
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
  0.061862716545 -0.015699217770
  0.272920269013 -0.072315342866
  0.500967900502 -0.192153010119
  0.299281390748 -0.123548344250
  0.018452287375  0.657333808004
 -0.003903379545  0.467871466762
    3    1
  2.437469341000
         10.47200000
          2.28460000
          0.58140000
  0.229752781337
  0.579657331349
  0.413292707143
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*           E.6.2.b. Dehydrated Na-A zeolite [3 aimp's for 3 different oxygens]
*             /Si.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO.
*             /Al.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO.
*             /O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO-O(1).
*             /O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO-O(2).
*             /O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO-O(3).
*             /Na.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO.
********************************************************************************
*   Dehydrated Zeolite Na-A lattice.
*   SiAlNaO2/ Si96 Al96 Na96 O192
*   No. 226: Oh6(Fm3-c) cubic.
*   Positions:
*     (i): Si, Al, O(1), Na(2)[idealized to position (d)]
*     (j): O(3)
*     (g): Na(1)
*     (h): Na(3)[idealized to position(a)]
*   a = 24.555 A
*   x(Si) = 0.09316, y(Si) = 0.18499
*   y(Al) = 0.18715, z(Al) = 0.09042
*   y(O1) = 0.11367, z(O1) = 0.24663
*   y(O2) = 0.14459, z(O2) = 0.14591
*   x(O3) = 0.05379, y(O3) = 0.05865, z(O3) = 0.17152
*   x(Na1) = 0.0996
*   y(Na2) = 0.2165 -> 0.25, z(Na2) = 0.2111 -> 0.25
*   y(Na3) = 0.1060
********************************************************************************

/Si.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO.
A.R. Ruiz-Salvador, Z. Barandiaran, L. Seijo. Unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 3 different oxygens
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.5697000000e5  5.2887000000e4  1.1854000000e4  3.1874000000e3  9.9387000000e2  3.4078000000e2  1.2471000000e2 44.606000000000 14.930000000000  6.093200000000  2.637800000000
  0.018591110640  0.023132469240  0.043265409100  0.074664166590  0.127508698400  0.208998057800  0.270610741000  0.264445306000  0.549861232900  0.703621671400  0.215301136900
M2
  0
COREREP
 1.0
PROJOP
    1
   10    2
  1.3779907720e2 12.317476550000
       6786.31000000
       1016.12000000
        231.12100000
         64.95240000
         19.97920000
         34.66070000
          3.57830000
          1.31334000
          1.74774000
          0.23107700
  0.005749311459 -0.001550086638
  0.042769062518 -0.011510233479
  0.191707825799 -0.056771639361
  0.461733962937 -0.149792429571
  0.380412749424 -0.145617735171
  0.042847874034 -0.072483996866
  0.054737390933  0.632103422577
  0.042881779004  0.592977611753
 -0.068974917869 -0.090311657013
 -0.001716620609 -0.023755580797
    7    1
  8.598458192000
        164.19700000
         38.01650000
         11.64390000
          3.91835000
          1.33111000
          0.45029100
          0.16385500
  0.011673059904
  0.081394599987
  0.282673068055
  0.503372859995
  0.324508874794
  0.012287957741
  0.008485827725
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO.
A.R. Ruiz-Salvador, Z. Barandiaran, L. Seijo. Unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 3 different oxygens
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.4320000000e5  4.9158000000e4  1.0706000000e4  2.8171000000e3  8.6680000000e2  2.9410000000e2  1.0630300000e2 36.737000000000 12.009000000000  4.845400000000  2.071200000000
  0.023315279350  0.029828552830  0.056603598370  0.098073733530  0.168453412600  0.277144776100  0.363135395500  0.359200310800  0.749795991400  0.919859190600  0.287923092300
M2
  0
COREREP
 1.0
PROJOP
    1
   10    2
  1.1626903700e2  9.005140327000
       5908.58000000
        885.12100000
        200.72800000
         56.13330000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
  0.005666298774 -0.001490359559
  0.042200377237 -0.011067676470
  0.190340143144 -0.054907917935
  0.462185709462 -0.145448847852
  0.382666203579 -0.140906746673
  0.042994157854 -0.072187350537
  0.050583847720  0.614495793373
  0.062431623991  0.613632822766
 -0.084896093563 -0.096754614126
 -0.001634580684 -0.022569390918
    7    1
  5.680716150000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00155000
          0.31050500
          0.11242400
  0.013900528060
  0.091345239796
  0.296729267558
  0.497380235561
  0.314957038359
  0.008059294480
  0.009494790296
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO-O(1).
A.R. Ruiz-Salvador, Z. Barandiaran, L. Seijo. Unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 3 different oxygens
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.4879183000e5  2.7601012000e4  4.9760830000e3  1.1549860000e3  3.2703433000e2  1.0405500000e2 35.838219000000 11.491630000000  3.557936000000  1.339341600000  0.531700000000
  0.232480000000
 -0.023665256050 -0.036897354770 -0.074921484990 -0.134889226800 -0.239035270000 -0.403779071500 -0.504519221900 -0.460096162900 -0.876491466000 -1.328479902000 -0.797763805700
 -0.119461777800
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.609331510000  2.314432645000
       2048.05000000
        309.09900000
         70.41410000
         19.70110000
          6.03145000
         10.22970000
          0.93409200
          0.28624700
  0.006201285653  0.001334588869
  0.045634057943  0.009804387349
  0.200024297346  0.047016574032
  0.473762984095  0.121009675231
  0.380885073538  0.116120036920
  0.028837090879  0.055526151835
  0.024919549468 -0.499463470894
 -0.005780041997 -0.610879070689
    6    1
  0.854924360100
         34.97120000
          7.84509000
          2.30332000
          0.72198200
          0.21552700
          0.05900000
  0.012561164510
  0.083358678524
  0.233907823797
  0.452740919058
  0.440158105668
  0.050979459601
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO-O(2).
A.R. Ruiz-Salvador, Z. Barandiaran, L. Seijo. Unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 3 different oxygens
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.4879183000e5  2.7601012000e4  4.9760830000e3  1.1549860000e3  3.2703433000e2  1.0405500000e2 35.838219000000 11.491630000000  3.557936000000  1.339341600000  0.531700000000
  0.232480000000
 -0.023638949330 -0.036861464350 -0.074830831990 -0.134776157400 -0.238754575300 -0.403492962800 -0.503755727300 -0.458200580400 -0.872297631500 -1.328104569000 -0.795605417600
 -0.129681132600
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.536807230000  2.238392340000
       2048.05000000
        309.09900000
         70.41410000
         19.70110000
          6.03145000
         10.22970000
          0.93409200
          0.28624700
  0.006201227042  0.001338231402
  0.045633513229  0.009841334391
  0.200021561258  0.047110534351
  0.473754887055  0.121920959279
  0.380877800463  0.118383794702
  0.028844902022  0.053996229675
  0.024958141544 -0.505818411536
 -0.005813771354 -0.605398183990
    6    1
  0.793375229800
         34.97120000
          7.84509000
          2.30332000
          0.72198200
          0.21552700
          0.05900000
  0.012444408387
  0.082671600704
  0.231626569916
  0.451460813379
  0.440720004903
  0.056991043829
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO-O(3).
A.R. Ruiz-Salvador, Z. Barandiaran, L. Seijo. Unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 3 different oxygens
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.4879183000e5  2.7601012000e4  4.9760830000e3  1.1549860000e3  3.2703433000e2  1.0405500000e2 35.838219000000 11.491630000000  3.557936000000  1.339341600000  0.531700000000
  0.232480000000
 -0.023611466210 -0.036825626100 -0.074732942410 -0.134665212600 -0.238430506200 -0.403206296100 -0.502966765500 -0.457866701600 -0.868907034200 -1.317168624000 -0.807349103300
 -0.134269721700
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.855961790000  2.555790767000
       2048.05000000
        309.09900000
         70.41410000
         19.70110000
          6.03145000
         10.22970000
          0.93409200
          0.28624700
  0.006201359475  0.001331828368
  0.045634547337  0.009771728382
  0.200027316353  0.046962250035
  0.473767309079  0.120062175423
  0.380868894449  0.113546109270
  0.028853388142  0.057476399559
  0.024891118504 -0.493852664298
 -0.005762835380 -0.615628666185
    6    1
  1.099586857000
         34.97120000
          7.84509000
          2.30332000
          0.72198200
          0.21552700
          0.05900000
  0.012468544113
  0.082618447906
  0.232475054133
  0.446517887260
  0.444662270570
  0.058660428939
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.EMB-AIMP.Ruiz-Salvador.0s.0s.ECP.Z-DhNaA-3xO.
A.R. Ruiz-Salvador, Z. Barandiaran, L. Seijo. Unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 3 different oxygens
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.9100000000e5  3.6290000000e4  7.1370000000e3  1.7527000000e3  5.2180000000e2  1.7101000000e2 60.520000000000 19.172000000000  7.841000000000  3.213600000000  1.129500000000
  0.063020152760  0.090108828120  0.176230621800  0.318177306800  0.538852991900  0.912323041100  1.026781854000  1.148235382000  1.521146332000  3.198842894000  1.006280596000
M2
  0
COREREP
 1.0
PROJOP
    1
    6    2
 80.491700340000  5.124943800000
        553.40000000
        102.18000000
         29.08000000
         10.18100000
          1.89000000
          0.59420000
  0.061862717331 -0.015697748495
  0.272920395247 -0.072305337508
  0.500967517581 -0.192144137826
  0.299282156374 -0.123499201432
  0.018449789620  0.657070359576
 -0.003900103233  0.468113379354
    3    1
  2.437432428000
         10.47200000
          2.28460000
          0.58140000
  0.229758605749
  0.579650380590
  0.413296706942
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*    E.7. Zincblende
********************************************************************************
*         E.7.1. CuF
********************************************************************************
*           E.7.1.a. CuF (a=4.255 A)
*             /Cu.EMB-AIMP.deGraaf.14s11p6d.1s1p1d.ECP.CuF.
*             /Cu.EMB-AIMP.deGraaf.14s11p.1s1p.ECP.CuF.
*             /Cu.EMB-AIMP.deGraaf.0s.0s.ECP.CuF.
*             /F.EMB-AIMP.deGraaf.0s.0s.ECP.CuF.
********************************************************************************
*         E.7.2. CuCl
********************************************************************************
*           E.7.2.a. CuCl (a=5.40 A)
*             /Cu.EMB-AIMP.deGraaf.14s11p6d.1s1p1d.ECP.CuCl.
*             /Cu.EMB-AIMP.deGraaf.14s11p.1s1p.ECP.CuCl.
*             /Cu.EMB-AIMP.deGraaf.0s.0s.ECP.CuCl.
*             /Cl.EMB-AIMP.deGraaf.0s.0s.ECP.CuCl.
********************************************************************************
*         E.7.3. CuBr
********************************************************************************
*           E.7.3.a. CuBr (a=5.69 A)
*             /Cu.EMB-AIMP.deGraaf.14s11p6d.1s1p1d.ECP.CuBr.
*             /Cu.EMB-AIMP.deGraaf.14s11p.1s1p.ECP.CuBr.
*             /Cu.EMB-AIMP.deGraaf.0s.0s.ECP.CuBr.
*             /Br.EMB-AIMP.deGraaf.0s.0s.ECP.CuBr.
********************************************************************************

********************************************************************************
*         E.7.1. CuF
********************************************************************************
*           E.7.1.a. CuF (a=4.255 A)
*             /Cu.EMB-AIMP.deGraaf.14s11p6d.1s1p1d.ECP.CuF.
*             /Cu.EMB-AIMP.deGraaf.14s11p.1s1p.ECP.CuF.
*             /Cu.EMB-AIMP.deGraaf.0s.0s.ECP.CuF.
*             /F.EMB-AIMP.deGraaf.0s.0s.ECP.CuF.
********************************************************************************

/Cu.EMB-AIMP.deGraaf.14s11p6d.1s1p1d.ECP.CuF.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. THEOCHEM 458 (1990) 53-60. doi:10.1016/s0166-1280(98)00348-0
From a SCEI calculation in CuF with a=4.255 A
********************************************************************************
* with orthogonalization functions
* CU-CUF-(14/11/6)             (A4/A1/6)
********************************************************************************
     1.0   2
* s-type functions
   14    1
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000041112292
 -0.000315372795
 -0.001624002500
 -0.006415660240
 -0.019621544500
 -0.043251336600
 -0.104297753000
 -0.050634359700
  0.371778980000
  0.409120199000
 -0.609388346000
 -0.637401029000
  0.007142054250
  0.001439096550
* p-type functions
   11    1
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
  0.001063692130
  0.008482487270
  0.038547502700
  0.107799270000
  0.173040911000
  0.123295204000
 -0.401003148000
 -0.514880772000
 -0.274344126000
  0.011300078300
  0.001355332440
* d-type functions
    6    1
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023468758600
 -0.127196277000
 -0.401400120000
 -0.399273685000
 -0.399626997000
  0.019131290600
********************************************************************************
* External AIMP: AIMP
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.8515883200e2  3.5816471500e2  1.2433839700e2 50.758768300000 21.811363800000  6.000399000000  2.510483000000
  0.904807300000
  0.227746214000  0.296385352000  0.532452812000  0.881576790000  1.341863380000  1.607563580000  2.276295550000  4.238980530000  2.560493720000  6.854643420000  5.132332140000
  2.049666520000
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.5702200000e2 80.911400000000  9.300200000000
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000306850042  0.000106555568 -0.000041112292
 -0.002353849670  0.000817388807 -0.000315372795
 -0.012121076400  0.004209118500 -0.001624002500
 -0.047884598700  0.016628222100 -0.006415660240
 -0.146449430000  0.050855467200 -0.019621544500
 -0.322815240000  0.112099582000 -0.043251336600
 -0.408035008000  0.237413470000 -0.104297753000
 -0.198092392000  0.115259233000 -0.050634359700
 -0.007080461370 -0.536838977000  0.371778980000
 -0.007791617900 -0.590758704000  0.409120199000
  0.006070242820 -0.050084821000 -0.609388346000
 -0.003102856030  0.006812310320 -0.637401029000
  0.000876069138 -0.001246336240  0.007142054250
 -0.000406215200  0.000693633109  0.001439096550
   11    2
 70.582933300000  5.956066670000
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
  0.002674697120  0.001063692130
  0.021329559200  0.008482487270
  0.096929263000  0.038547502700
  0.271065649000  0.107799270000
  0.435118406000  0.173040911000
  0.310030804000  0.123295204000
  0.053300439500 -0.401003148000
 -0.001121505180 -0.514880772000
  0.001609110030 -0.274344126000
 -0.000490338771  0.011300078300
  0.000106171001  0.001355332440
    6    1
  0.258600000000
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023468758600
 -0.127196277000
 -0.401400120000
 -0.399273685000
 -0.399626997000
  0.019131290600
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cu.EMB-AIMP.deGraaf.14s11p.1s1p.ECP.CuF.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. THEOCHEM 458 (1990) 53-60. doi:10.1016/s0166-1280(98)00348-0
From a SCEI calculation in CuF with a=4.255 A
********************************************************************************
* with orthogonalization functions
* CU-CUF-(14/11)             (A4/A1)
********************************************************************************
     1.0   1
* s-type functions
   14    1
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000041112292
 -0.000315372795
 -0.001624002500
 -0.006415660240
 -0.019621544500
 -0.043251336600
 -0.104297753000
 -0.050634359700
  0.371778980000
  0.409120199000
 -0.609388346000
 -0.637401029000
  0.007142054250
  0.001439096550
* p-type functions
   11    1
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
  0.001063692130
  0.008482487270
  0.038547502700
  0.107799270000
  0.173040911000
  0.123295204000
 -0.401003148000
 -0.514880772000
 -0.274344126000
  0.011300078300
  0.001355332440
********************************************************************************
* External AIMP: AIMP
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.8515883200e2  3.5816471500e2  1.2433839700e2 50.758768300000 21.811363800000  6.000399000000  2.510483000000
  0.904807300000
  0.227746214000  0.296385352000  0.532452812000  0.881576790000  1.341863380000  1.607563580000  2.276295550000  4.238980530000  2.560493720000  6.854643420000  5.132332140000
  2.049666520000
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.5702200000e2 80.911400000000  9.300200000000
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
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          0.14010000
          0.04940000
 -0.000306850042  0.000106555568 -0.000041112292
 -0.002353849670  0.000817388807 -0.000315372795
 -0.012121076400  0.004209118500 -0.001624002500
 -0.047884598700  0.016628222100 -0.006415660240
 -0.146449430000  0.050855467200 -0.019621544500
 -0.322815240000  0.112099582000 -0.043251336600
 -0.408035008000  0.237413470000 -0.104297753000
 -0.198092392000  0.115259233000 -0.050634359700
 -0.007080461370 -0.536838977000  0.371778980000
 -0.007791617900 -0.590758704000  0.409120199000
  0.006070242820 -0.050084821000 -0.609388346000
 -0.003102856030  0.006812310320 -0.637401029000
  0.000876069138 -0.001246336240  0.007142054250
 -0.000406215200  0.000693633109  0.001439096550
   11    2
 70.582933300000  5.956066670000
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
  0.002674697120  0.001063692130
  0.021329559200  0.008482487270
  0.096929263000  0.038547502700
  0.271065649000  0.107799270000
  0.435118406000  0.173040911000
  0.310030804000  0.123295204000
  0.053300439500 -0.401003148000
 -0.001121505180 -0.514880772000
  0.001609110030 -0.274344126000
 -0.000490338771  0.011300078300
  0.000106171001  0.001355332440
    6    1
  0.258600000000
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023468758600
 -0.127196277000
 -0.401400120000
 -0.399273685000
 -0.399626997000
  0.019131290600
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cu.EMB-AIMP.deGraaf.0s.0s.ECP.CuF.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. THEOCHEM 458 (1990) 53-60. doi:10.1016/s0166-1280(98)00348-0
From a SCEI calculation in CuF with a=4.255 A
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: AIMP
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.8515883200e2  3.5816471500e2  1.2433839700e2 50.758768300000 21.811363800000  6.000399000000  2.510483000000
  0.904807300000
  0.227746214000  0.296385352000  0.532452812000  0.881576790000  1.341863380000  1.607563580000  2.276295550000  4.238980530000  2.560493720000  6.854643420000  5.132332140000
  2.049666520000
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.5702200000e2 80.911400000000  9.300200000000
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000306850042  0.000106555568 -0.000041112292
 -0.002353849670  0.000817388807 -0.000315372795
 -0.012121076400  0.004209118500 -0.001624002500
 -0.047884598700  0.016628222100 -0.006415660240
 -0.146449430000  0.050855467200 -0.019621544500
 -0.322815240000  0.112099582000 -0.043251336600
 -0.408035008000  0.237413470000 -0.104297753000
 -0.198092392000  0.115259233000 -0.050634359700
 -0.007080461370 -0.536838977000  0.371778980000
 -0.007791617900 -0.590758704000  0.409120199000
  0.006070242820 -0.050084821000 -0.609388346000
 -0.003102856030  0.006812310320 -0.637401029000
  0.000876069138 -0.001246336240  0.007142054250
 -0.000406215200  0.000693633109  0.001439096550
   11    2
 70.582933300000  5.956066670000
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
  0.002674697120  0.001063692130
  0.021329559200  0.008482487270
  0.096929263000  0.038547502700
  0.271065649000  0.107799270000
  0.435118406000  0.173040911000
  0.310030804000  0.123295204000
  0.053300439500 -0.401003148000
 -0.001121505180 -0.514880772000
  0.001609110030 -0.274344126000
 -0.000490338771  0.011300078300
  0.000106171001  0.001355332440
    6    1
  0.258600000000
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023468758600
 -0.127196277000
 -0.401400120000
 -0.399273685000
 -0.399626997000
  0.019131290600
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.EMB-AIMP.deGraaf.0s.0s.ECP.CuF.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. THEOCHEM 458 (1990) 53-60. doi:10.1016/s0166-1280(98)00348-0
From a SCEI calculation in CuF with a=4.255 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: AIMP
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2415117000e5  4.5313575500e4  1.0160508000e4  2.9194975900e3  9.8515883200e2  3.5816471500e2  1.2433839700e2 50.758768300000 21.811363800000  6.000399000000  2.510483000000
  0.904807300000
 -0.227746214000 -0.296385352000 -0.532452812000 -0.881576790000 -1.341863380000 -1.607563580000 -2.276295550000 -4.238980530000 -2.560493720000 -6.854643420000 -5.132332140000
 -2.049666520000
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.5702200000e2 80.911400000000  9.300200000000
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000306850042  0.000106555568 -0.000041112292
 -0.002353849670  0.000817388807 -0.000315372795
 -0.012121076400  0.004209118500 -0.001624002500
 -0.047884598700  0.016628222100 -0.006415660240
 -0.146449430000  0.050855467200 -0.019621544500
 -0.322815240000  0.112099582000 -0.043251336600
 -0.408035008000  0.237413470000 -0.104297753000
 -0.198092392000  0.115259233000 -0.050634359700
 -0.007080461370 -0.536838977000  0.371778980000
 -0.007791617900 -0.590758704000  0.409120199000
  0.006070242820 -0.050084821000 -0.609388346000
 -0.003102856030  0.006812310320 -0.637401029000
  0.000876069138 -0.001246336240  0.007142054250
 -0.000406215200  0.000693633109  0.001439096550
   11    2
 70.582933300000  5.956066670000
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
  0.002674697120  0.001063692130
  0.021329559200  0.008482487270
  0.096929263000  0.038547502700
  0.271065649000  0.107799270000
  0.435118406000  0.173040911000
  0.310030804000  0.123295204000
  0.053300439500 -0.401003148000
 -0.001121505180 -0.514880772000
  0.001609110030 -0.274344126000
 -0.000490338771  0.011300078300
  0.000106171001  0.001355332440
    6    1
  0.258600000000
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023468758600
 -0.127196277000
 -0.401400120000
 -0.399273685000
 -0.399626997000
  0.019131290600
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.7.2. CuCl
********************************************************************************
*           E.7.2.a. CuCl (a=5.40 A)
*             /Cu.EMB-AIMP.deGraaf.14s11p6d.1s1p1d.ECP.CuCl.
*             /Cu.EMB-AIMP.deGraaf.14s11p.1s1p.ECP.CuCl.
*             /Cu.EMB-AIMP.deGraaf.0s.0s.ECP.CuCl.
*             /Cl.EMB-AIMP.deGraaf.0s.0s.ECP.CuCl.
********************************************************************************

/Cu.EMB-AIMP.deGraaf.14s11p6d.1s1p1d.ECP.CuCl.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. THEOCHEM 458 (1990) 53-60. doi:10.1016/s0166-1280(98)00348-0
From a SCEI calculation in CuCl with a=5.40 A
********************************************************************************
* with orthogonalization functions
* CU-CUCL-(14/11/6)             (A4/A1/6)
********************************************************************************
     1.0   2
* s-type functions
   14    1
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000041108021
 -0.000315340031
 -0.001623833780
 -0.006414993710
 -0.019619506000
 -0.043246843200
 -0.104300039000
 -0.050635469400
  0.371842070000
  0.409189624000
 -0.611459365000
 -0.632583721000
 -0.001451534450
  0.005843089040
* p-type functions
   11    1
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
  0.001063090140
  0.008477686680
  0.038525687000
  0.107738262000
  0.172942979000
  0.123225426000
 -0.400211975000
 -0.517068316000
 -0.267905561000
  0.002905896910
  0.003295820460
* d-type functions
    6    1
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023023691700
 -0.124784097000
 -0.393787876000
 -0.391701767000
 -0.394991000000
 -0.043275340100
********************************************************************************
* External AIMP: AIMP
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.8763000000e5  3.6454000000e4  7.5845000000e3  1.9716000000e3  5.9655000000e2  1.8146000000e2 60.566000000000 24.346000000000  5.917700000000  2.294400000000  0.746270000000
  0.247321927000  0.345321706000  0.659913096000  1.183750160000  1.733865370000  2.120549370000  4.389776760000  3.174512450000  7.172326890000  5.183876770000  1.788785500000
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.5732040000e2 81.206400000000  9.588400000000
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000306850358  0.000106556888 -0.000041108021
 -0.002353852090  0.000817398930 -0.000315340031
 -0.012121088900  0.004209170620 -0.001623833780
 -0.047884648000  0.016628428000 -0.006414993710
 -0.146449581000  0.050856097100 -0.019619506000
 -0.322815572000  0.112100970000 -0.043246843200
 -0.408034973000  0.237414243000 -0.104300039000
 -0.198092375000  0.115259609000 -0.050635469400
 -0.007079862830 -0.536844492000  0.371842070000
 -0.007790959250 -0.590764773000  0.409189624000
  0.006068499730 -0.050118177200 -0.611459365000
 -0.003100700780  0.006924819030 -0.632583721000
  0.000873819291 -0.001413237350 -0.001451534450
 -0.000404936873  0.000791847917  0.005843089040
   11    2
 70.878666700000  6.246333330000
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
 -0.002674731490  0.001063090140
 -0.021329833300  0.008477686680
 -0.096930508800  0.038525687000
 -0.271069133000  0.107738262000
 -0.435123999000  0.172942979000
 -0.310034789000  0.123225426000
 -0.053262287300 -0.400211975000
  0.001076904130 -0.517068316000
 -0.001551634690 -0.267905561000
  0.000426241778  0.002905896910
 -0.000082370971  0.003295820460
    6    1
  0.551520000000
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023023691700
 -0.124784097000
 -0.393787876000
 -0.391701767000
 -0.394991000000
 -0.043275340100
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cu.EMB-AIMP.deGraaf.14s11p.1s1p.ECP.CuCl.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. THEOCHEM 458 (1990) 53-60. doi:10.1016/s0166-1280(98)00348-0
From a SCEI calculation in CuCl with a=5.40 A
********************************************************************************
* with orthogonalization functions
* CU-CUCL-(14/11)             (A4/A1)
********************************************************************************
     1.0   1
* s-type functions
   14    1
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000041108021
 -0.000315340031
 -0.001623833780
 -0.006414993710
 -0.019619506000
 -0.043246843200
 -0.104300039000
 -0.050635469400
  0.371842070000
  0.409189624000
 -0.611459365000
 -0.632583721000
 -0.001451534450
  0.005843089040
* p-type functions
   11    1
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
  0.001063090140
  0.008477686680
  0.038525687000
  0.107738262000
  0.172942979000
  0.123225426000
 -0.400211975000
 -0.517068316000
 -0.267905561000
  0.002905896910
  0.003295820460
********************************************************************************
* External AIMP: AIMP
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.8763000000e5  3.6454000000e4  7.5845000000e3  1.9716000000e3  5.9655000000e2  1.8146000000e2 60.566000000000 24.346000000000  5.917700000000  2.294400000000  0.746270000000
  0.247321927000  0.345321706000  0.659913096000  1.183750160000  1.733865370000  2.120549370000  4.389776760000  3.174512450000  7.172326890000  5.183876770000  1.788785500000
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.5732040000e2 81.206400000000  9.588400000000
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000306850358  0.000106556888 -0.000041108021
 -0.002353852090  0.000817398930 -0.000315340031
 -0.012121088900  0.004209170620 -0.001623833780
 -0.047884648000  0.016628428000 -0.006414993710
 -0.146449581000  0.050856097100 -0.019619506000
 -0.322815572000  0.112100970000 -0.043246843200
 -0.408034973000  0.237414243000 -0.104300039000
 -0.198092375000  0.115259609000 -0.050635469400
 -0.007079862830 -0.536844492000  0.371842070000
 -0.007790959250 -0.590764773000  0.409189624000
  0.006068499730 -0.050118177200 -0.611459365000
 -0.003100700780  0.006924819030 -0.632583721000
  0.000873819291 -0.001413237350 -0.001451534450
 -0.000404936873  0.000791847917  0.005843089040
   11    2
 70.878666700000  6.246333330000
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
 -0.002674731490  0.001063090140
 -0.021329833300  0.008477686680
 -0.096930508800  0.038525687000
 -0.271069133000  0.107738262000
 -0.435123999000  0.172942979000
 -0.310034789000  0.123225426000
 -0.053262287300 -0.400211975000
  0.001076904130 -0.517068316000
 -0.001551634690 -0.267905561000
  0.000426241778  0.002905896910
 -0.000082370971  0.003295820460
    6    1
  0.551520000000
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023023691700
 -0.124784097000
 -0.393787876000
 -0.391701767000
 -0.394991000000
 -0.043275340100
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cu.EMB-AIMP.deGraaf.0s.0s.ECP.CuCl.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. THEOCHEM 458 (1990) 53-60. doi:10.1016/s0166-1280(98)00348-0
From a SCEI calculation in CuCl with a=5.40 A
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: AIMP
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.8763000000e5  3.6454000000e4  7.5845000000e3  1.9716000000e3  5.9655000000e2  1.8146000000e2 60.566000000000 24.346000000000  5.917700000000  2.294400000000  0.746270000000
  0.247321927000  0.345321706000  0.659913096000  1.183750160000  1.733865370000  2.120549370000  4.389776760000  3.174512450000  7.172326890000  5.183876770000  1.788785500000
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.5732040000e2 81.206400000000  9.588400000000
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000306850358  0.000106556888 -0.000041108021
 -0.002353852090  0.000817398930 -0.000315340031
 -0.012121088900  0.004209170620 -0.001623833780
 -0.047884648000  0.016628428000 -0.006414993710
 -0.146449581000  0.050856097100 -0.019619506000
 -0.322815572000  0.112100970000 -0.043246843200
 -0.408034973000  0.237414243000 -0.104300039000
 -0.198092375000  0.115259609000 -0.050635469400
 -0.007079862830 -0.536844492000  0.371842070000
 -0.007790959250 -0.590764773000  0.409189624000
  0.006068499730 -0.050118177200 -0.611459365000
 -0.003100700780  0.006924819030 -0.632583721000
  0.000873819291 -0.001413237350 -0.001451534450
 -0.000404936873  0.000791847917  0.005843089040
   11    2
 70.878666700000  6.246333330000
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
 -0.002674731490  0.001063090140
 -0.021329833300  0.008477686680
 -0.096930508800  0.038525687000
 -0.271069133000  0.107738262000
 -0.435123999000  0.172942979000
 -0.310034789000  0.123225426000
 -0.053262287300 -0.400211975000
  0.001076904130 -0.517068316000
 -0.001551634690 -0.267905561000
  0.000426241778  0.002905896910
 -0.000082370971  0.003295820460
    6    1
  0.551520000000
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023023691700
 -0.124784097000
 -0.393787876000
 -0.391701767000
 -0.394991000000
 -0.043275340100
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.EMB-AIMP.deGraaf.0s.0s.ECP.CuCl.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. THEOCHEM 458 (1990) 53-60. doi:10.1016/s0166-1280(98)00348-0
From a SCEI calculation in CuCl with a=5.40 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: AIMP
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.8763000000e5  3.6454000000e4  7.5845000000e3  1.9716000000e3  5.9655000000e2  1.8146000000e2 60.566000000000 24.346000000000  5.917700000000  2.294400000000  0.746270000000
 -0.247321927000 -0.345321706000 -0.659913096000 -1.183750160000 -1.733865370000 -2.120549370000 -4.389776760000 -3.174512450000 -7.172326890000 -5.183876770000 -1.788785500000
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.5732040000e2 81.206400000000  9.588400000000
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000306850358  0.000106556888 -0.000041108021
 -0.002353852090  0.000817398930 -0.000315340031
 -0.012121088900  0.004209170620 -0.001623833780
 -0.047884648000  0.016628428000 -0.006414993710
 -0.146449581000  0.050856097100 -0.019619506000
 -0.322815572000  0.112100970000 -0.043246843200
 -0.408034973000  0.237414243000 -0.104300039000
 -0.198092375000  0.115259609000 -0.050635469400
 -0.007079862830 -0.536844492000  0.371842070000
 -0.007790959250 -0.590764773000  0.409189624000
  0.006068499730 -0.050118177200 -0.611459365000
 -0.003100700780  0.006924819030 -0.632583721000
  0.000873819291 -0.001413237350 -0.001451534450
 -0.000404936873  0.000791847917  0.005843089040
   11    2
 70.878666700000  6.246333330000
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
 -0.002674731490  0.001063090140
 -0.021329833300  0.008477686680
 -0.096930508800  0.038525687000
 -0.271069133000  0.107738262000
 -0.435123999000  0.172942979000
 -0.310034789000  0.123225426000
 -0.053262287300 -0.400211975000
  0.001076904130 -0.517068316000
 -0.001551634690 -0.267905561000
  0.000426241778  0.002905896910
 -0.000082370971  0.003295820460
    6    1
  0.551520000000
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023023691700
 -0.124784097000
 -0.393787876000
 -0.391701767000
 -0.394991000000
 -0.043275340100
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.7.3. CuBr
********************************************************************************
*           E.7.3.a. CuBr (a=5.69 A)
*             /Cu.EMB-AIMP.deGraaf.14s11p6d.1s1p1d.ECP.CuBr.
*             /Cu.EMB-AIMP.deGraaf.14s11p.1s1p.ECP.CuBr.
*             /Cu.EMB-AIMP.deGraaf.0s.0s.ECP.CuBr.
*             /Br.EMB-AIMP.deGraaf.0s.0s.ECP.CuBr.
********************************************************************************

/Cu.EMB-AIMP.deGraaf.14s11p6d.1s1p1d.ECP.CuBr.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. THEOCHEM 458 (1990) 53-60. doi:10.1016/s0166-1280(98)00348-0
From a SCEI calculation in CuBr with a=5.69 A
********************************************************************************
* with orthogonalization functions
* CU-CUBR-(14/11/6)             (A4/A1/6)
********************************************************************************
     1.0   2
* s-type functions
   14    1
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000041114464
 -0.000315389455
 -0.001624088290
 -0.006415999160
 -0.019622581100
 -0.043253621500
 -0.104318990000
 -0.050644669600
  0.371925055000
  0.409280945000
 -0.611991448000
 -0.631990283000
 -0.002213032990
  0.006673790780
* p-type functions
   11    1
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
 -0.001063176690
 -0.008478376830
 -0.038528823300
 -0.107747033000
 -0.172957058000
 -0.123235458000
  0.400233077000
  0.517360962000
  0.267195763000
 -0.002502940620
 -0.002926827410
* d-type functions
    6    1
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023053595800
 -0.124946172000
 -0.394299345000
 -0.392210526000
 -0.395905324000
 -0.038064579000
********************************************************************************
* External AIMP: AIMP
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.8709000000e5  3.6331000000e4  7.5516000000e3  1.9624400000e3  5.9388000000e2  1.8069000000e2 60.463000000000 24.355000000000  5.936600000000  2.317790000000  0.760285000000
  0.247686050000  0.346240882000  0.661831385000  1.186858960000  1.735282000000  2.122758130000  4.386107920000  3.167789380000  7.135984040000  5.192586140000  1.816875110000
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.5738400000e2 81.270200000000  9.648600000000
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000306850296  0.000106557207 -0.000041114464
 -0.002353851620  0.000817401375 -0.000315389455
 -0.012121086400  0.004209183210 -0.001624088290
 -0.047884638300  0.016628477700 -0.006415999160
 -0.146449551000  0.050856249200 -0.019622581100
 -0.322815507000  0.112101305000 -0.043253621500
 -0.408035003000  0.237415122000 -0.104318990000
 -0.198092390000  0.115260035000 -0.050644669600
 -0.007079932010 -0.536847355000  0.371925055000
 -0.007791035380 -0.590767924000  0.409280945000
  0.006068565550 -0.050114220100 -0.611991448000
 -0.003100661860  0.006931477810 -0.631990283000
  0.000873566006 -0.001428858740 -0.002213032990
 -0.000404352905  0.000820753436  0.006673790780
   11    2
 70.942400000000  6.307333330000
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
 -0.002674740810 -0.001063176690
 -0.021329907600 -0.008478376830
 -0.096930846400 -0.038528823300
 -0.271070077000 -0.107747033000
 -0.435125514000 -0.172957058000
 -0.310035869000 -0.123235458000
 -0.053257127500  0.400233077000
  0.001077589770  0.517360962000
 -0.001546222150  0.267195763000
  0.000422077741 -0.002502940620
 -0.000083595712 -0.002926827410
    6    1
  0.612840000000
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023053595800
 -0.124946172000
 -0.394299345000
 -0.392210526000
 -0.395905324000
 -0.038064579000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cu.EMB-AIMP.deGraaf.14s11p.1s1p.ECP.CuBr.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. THEOCHEM 458 (1990) 53-60. doi:10.1016/s0166-1280(98)00348-0
From a SCEI calculation in CuBr with a=5.69 A
********************************************************************************
* with orthogonalization functions
* CU-CUBR-(14/11)             (A4/A1)
********************************************************************************
     1.0   1
* s-type functions
   14    1
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000041114464
 -0.000315389455
 -0.001624088290
 -0.006415999160
 -0.019622581100
 -0.043253621500
 -0.104318990000
 -0.050644669600
  0.371925055000
  0.409280945000
 -0.611991448000
 -0.631990283000
 -0.002213032990
  0.006673790780
* p-type functions
   11    1
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
 -0.001063176690
 -0.008478376830
 -0.038528823300
 -0.107747033000
 -0.172957058000
 -0.123235458000
  0.400233077000
  0.517360962000
  0.267195763000
 -0.002502940620
 -0.002926827410
********************************************************************************
* External AIMP: AIMP
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.8709000000e5  3.6331000000e4  7.5516000000e3  1.9624400000e3  5.9388000000e2  1.8069000000e2 60.463000000000 24.355000000000  5.936600000000  2.317790000000  0.760285000000
  0.247686050000  0.346240882000  0.661831385000  1.186858960000  1.735282000000  2.122758130000  4.386107920000  3.167789380000  7.135984040000  5.192586140000  1.816875110000
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.5738400000e2 81.270200000000  9.648600000000
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
          0.04940000
 -0.000306850296  0.000106557207 -0.000041114464
 -0.002353851620  0.000817401375 -0.000315389455
 -0.012121086400  0.004209183210 -0.001624088290
 -0.047884638300  0.016628477700 -0.006415999160
 -0.146449551000  0.050856249200 -0.019622581100
 -0.322815507000  0.112101305000 -0.043253621500
 -0.408035003000  0.237415122000 -0.104318990000
 -0.198092390000  0.115260035000 -0.050644669600
 -0.007079932010 -0.536847355000  0.371925055000
 -0.007791035380 -0.590767924000  0.409280945000
  0.006068565550 -0.050114220100 -0.611991448000
 -0.003100661860  0.006931477810 -0.631990283000
  0.000873566006 -0.001428858740 -0.002213032990
 -0.000404352905  0.000820753436  0.006673790780
   11    2
 70.942400000000  6.307333330000
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
          1.88440000
          0.73480000
          0.31000000
          0.12000000
 -0.002674740810 -0.001063176690
 -0.021329907600 -0.008478376830
 -0.096930846400 -0.038528823300
 -0.271070077000 -0.107747033000
 -0.435125514000 -0.172957058000
 -0.310035869000 -0.123235458000
 -0.053257127500  0.400233077000
  0.001077589770  0.517360962000
 -0.001546222150  0.267195763000
  0.000422077741 -0.002502940620
 -0.000083595712 -0.002926827410
    6    1
  0.612840000000
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023053595800
 -0.124946172000
 -0.394299345000
 -0.392210526000
 -0.395905324000
 -0.038064579000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cu.EMB-AIMP.deGraaf.0s.0s.ECP.CuBr.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. THEOCHEM 458 (1990) 53-60. doi:10.1016/s0166-1280(98)00348-0
From a SCEI calculation in CuBr with a=5.69 A
     1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: AIMP
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.8709000000e5  3.6331000000e4  7.5516000000e3  1.9624400000e3  5.9388000000e2  1.8069000000e2 60.463000000000 24.355000000000  5.936600000000  2.317790000000  0.760285000000
  0.247686050000  0.346240882000  0.661831385000  1.186858960000  1.735282000000  2.122758130000  4.386107920000  3.167789380000  7.135984040000  5.192586140000  1.816875110000
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.5738400000e2 81.270200000000  9.648600000000
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
         64.62680000
         22.13810000
          9.34750000
          2.60860000
          0.99720000
          0.14010000
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 -0.000306850296  0.000106557207 -0.000041114464
 -0.002353851620  0.000817401375 -0.000315389455
 -0.012121086400  0.004209183210 -0.001624088290
 -0.047884638300  0.016628477700 -0.006415999160
 -0.146449551000  0.050856249200 -0.019622581100
 -0.322815507000  0.112101305000 -0.043253621500
 -0.408035003000  0.237415122000 -0.104318990000
 -0.198092390000  0.115260035000 -0.050644669600
 -0.007079932010 -0.536847355000  0.371925055000
 -0.007791035380 -0.590767924000  0.409280945000
  0.006068565550 -0.050114220100 -0.611991448000
 -0.003100661860  0.006931477810 -0.631990283000
  0.000873566006 -0.001428858740 -0.002213032990
 -0.000404352905  0.000820753436  0.006673790780
   11    2
 70.942400000000  6.307333330000
       2026.05000000
        484.20700000
        157.80300000
         60.48440000
         25.35930000
         11.16850000
          4.56410000
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          0.73480000
          0.31000000
          0.12000000
 -0.002674740810 -0.001063176690
 -0.021329907600 -0.008478376830
 -0.096930846400 -0.038528823300
 -0.271070077000 -0.107747033000
 -0.435125514000 -0.172957058000
 -0.310035869000 -0.123235458000
 -0.053257127500  0.400233077000
  0.001077589770  0.517360962000
 -0.001546222150  0.267195763000
  0.000422077741 -0.002502940620
 -0.000083595712 -0.002926827410
    6    1
  0.612840000000
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023053595800
 -0.124946172000
 -0.394299345000
 -0.392210526000
 -0.395905324000
 -0.038064579000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Br.EMB-AIMP.deGraaf.0s.0s.ECP.CuBr.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. THEOCHEM 458 (1990) 53-60. doi:10.1016/s0166-1280(98)00348-0
From a SCEI calculation in CuBr with a=5.69 A
    -1.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP: AIMP
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.8709000000e5  3.6331000000e4  7.5516000000e3  1.9624400000e3  5.9388000000e2  1.8069000000e2 60.463000000000 24.355000000000  5.936600000000  2.317790000000  0.760285000000
 -0.247686050000 -0.346240882000 -0.661831385000 -1.186858960000 -1.735282000000 -2.122758130000 -4.386107920000 -3.167789380000 -7.135984040000 -5.192586140000 -1.816875110000
M2
  0
COREREP
 1.0
PROJOP
    2
   14    3
  6.5738400000e2 81.270200000000  9.648600000000
     307637.00000000
      46592.90000000
      10651.10000000
       3043.31000000
       1010.06200000
        374.25200000
        150.79600000
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 -0.146449551000  0.050856249200 -0.019622581100
 -0.322815507000  0.112101305000 -0.043253621500
 -0.408035003000  0.237415122000 -0.104318990000
 -0.198092390000  0.115260035000 -0.050644669600
 -0.007079932010 -0.536847355000  0.371925055000
 -0.007791035380 -0.590767924000  0.409280945000
  0.006068565550 -0.050114220100 -0.611991448000
 -0.003100661860  0.006931477810 -0.631990283000
  0.000873566006 -0.001428858740 -0.002213032990
 -0.000404352905  0.000820753436  0.006673790780
   11    2
 70.942400000000  6.307333330000
       2026.05000000
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         60.48440000
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          0.31000000
          0.12000000
 -0.002674740810 -0.001063176690
 -0.021329907600 -0.008478376830
 -0.096930846400 -0.038528823300
 -0.271070077000 -0.107747033000
 -0.435125514000 -0.172957058000
 -0.310035869000 -0.123235458000
 -0.053257127500  0.400233077000
  0.001077589770  0.517360962000
 -0.001546222150  0.267195763000
  0.000422077741 -0.002502940620
 -0.000083595712 -0.002926827410
    6    1
  0.612840000000
         53.64780000
         15.07470000
          5.10390000
          1.72740000
          0.52830000
          0.14910000
 -0.023053595800
 -0.124946172000
 -0.394299345000
 -0.392210526000
 -0.395905324000
 -0.038064579000
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*    E.8. Garnets
********************************************************************************
*         E.8.1. Y3Al5O12 (YAG)
********************************************************************************
*           E.8.1.a. Y3Al5O12
*             /Y.EMB-AIMP.Gracia.0s.0s.ECP.Y3Al5O12-Y.
*             /Al.EMB-AIMP.Gracia.0s.0s.ECP.Y3Al5O12-Al(oct).
*             /Al.EMB-AIMP.Gracia.0s.0s.ECP.Y3Al5O12-Al(tet).
*             /Al.EMB-AIMP.Gracia.11s8p.1s1p.ECP.Y3Al5O12-Al(tet).
*             /O.EMB-AIMP.Gracia.0s.0s.ECP.Y3Al5O12-O.
********************************************************************************
*         E.8.2. Gd3Al5O12 (GdAG)
********************************************************************************
*           E.8.2.a. Gd3Al5O12
*             /Gd.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Al5O12-Gd.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Al5O12-Al(oct).
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Al5O12-Al(tet).
*             /Al.EMB-AIMP.Seijo.11s8p.1s1p.ECP.Gd3Al5O12-Al(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Al5O12-O.
********************************************************************************
*         E.8.3. Er3Al5O12 (ErAG)
********************************************************************************
*           E.8.3.a. Er3Al5O12
*             /Er.EMB-AIMP.Seijo.0s.0s.ECP.Er3Al5O12-Er.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Er3Al5O12-Al(oct).
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Er3Al5O12-Al(tet).
*             /Al.EMB-AIMP.Seijo.11s8p.1s1p.ECP.Er3Al5O12-Al(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Er3Al5O12-O.
********************************************************************************
*         E.8.4. Yb3Al5O12 (YbAG)
********************************************************************************
*           E.8.4.a. Yb3Al5O12
*             /Yb.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Al5O12-Yb.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Al5O12-Al(oct).
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Al5O12-Al(tet).
*             /Al.EMB-AIMP.Seijo.11s8p.1s1p.ECP.Yb3Al5O12-Al(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Al5O12-O.
********************************************************************************
*         E.8.5. Lu3Al5O12 (LuAG)
********************************************************************************
*           E.8.5.a. Lu3Al5O12
*             /Lu.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Al5O12-Lu.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Al5O12-Al(oct).
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Al5O12-Al(tet).
*             /Al.EMB-AIMP.Seijo.11s8p.1s1p.ECP.Lu3Al5O12-Al(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Al5O12-O.
********************************************************************************
*         E.8.6. Y3Ga5O12 (YGG)
********************************************************************************
*           E.8.6.a. Y3Ga5O12
*             /Y.EMB-AIMP.Seijo.0s.0s.ECP.Y3Ga5O12-Y.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Y3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Y3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Y3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Y3Ga5O12-O.
********************************************************************************
*         E.8.7. Nd3Ga5O12 (NdGG)
********************************************************************************
*           E.8.7.a. Nd3Ga5O12
*             /Nd.EMB-AIMP.Seijo.0s.0s.ECP.Nd3Ga5O12-Nd.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Nd3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Nd3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Nd3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Nd3Ga5O12-O.
********************************************************************************
*         E.8.8. Sm3Ga5O12 (SmGG)
********************************************************************************
*           E.8.8.a. Sm3Ga5O12
*             /Sm.EMB-AIMP.Seijo.0s.0s.ECP.Sm3Ga5O12-Sm.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Sm3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Sm3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Sm3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Sm3Ga5O12-O.
********************************************************************************
*         E.8.9. Gd3Ga5O12 (GdGG)
********************************************************************************
*           E.8.9.a. Gd3Ga5O12
*             /Gd.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Ga5O12-Gd.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Gd3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Ga5O12-O.
********************************************************************************
*         E.8.10. Tb3Ga5O12 (TbGG)
********************************************************************************
*           E.8.10.a. Tb3Ga5O12
*             /Tb.EMB-AIMP.Seijo.0s.0s.ECP.Tb3Ga5O12-Tb.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Tb3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Tb3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Tb3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Tb3Ga5O12-O.
********************************************************************************
*         E.8.11. Dy3Ga5O12 (DyGG)
********************************************************************************
*           E.8.11.a. Dy3Ga5O12
*             /Dy.EMB-AIMP.Seijo.0s.0s.ECP.Dy3Ga5O12-Dy.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Dy3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Dy3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Dy3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Dy3Ga5O12-O.
********************************************************************************
*         E.8.12. Ho3Ga5O12 (HoGG)
********************************************************************************
*           E.8.12.a. Ho3Ga5O12
*             /Ho.EMB-AIMP.Seijo.0s.0s.ECP.Ho3Ga5O12-Ho.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Ho3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Ho3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Ho3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Ho3Ga5O12-O.
********************************************************************************
*         E.8.13. Yb3Ga5O12 (YbGG)
********************************************************************************
*           E.8.13.a. Yb3Ga5O12
*             /Yb.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Ga5O12-Yb.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Yb3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Ga5O12-O.
********************************************************************************
*         E.8.14. Lu3Ga5O12 (LuGG)
********************************************************************************
*           E.8.14.a. Lu3Ga5O12
*             /Lu.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Ga5O12-Lu.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Lu3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Ga5O12-O.
********************************************************************************
*         E.8.15. Mg3Al2Si3O12 (Pyrope)
********************************************************************************
*           E.8.15.a. Mg3Al2Si3O12
*             /Mg.EMB-AIMP.Seijo.0s.0s.ECP.Mg3Al2Si3O12-Mg.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Mg3Al2Si3O12-Al(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Mg3Al2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Mg3Al2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Mg3Al2Si3O12-O.
********************************************************************************
*         E.8.16. Ca3Al2Si3O12 (Grossular)
********************************************************************************
*           E.8.16.a. Ca3Al2Si3O12
*             /Ca.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Al2Si3O12-Ca.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Al2Si3O12-Al(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Al2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Ca3Al2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Al2Si3O12-O.
********************************************************************************
*         E.8.17. Mn3Al2Si3O12 (Spessartine)
********************************************************************************
*           E.8.17.a. Mn3Al2Si3O12
*             /Mn.EMB-AIMP.Seijo.0s.0s.ECP.Mn3Al2Si3O12-Mn.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Mn3Al2Si3O12-Al(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Mn3Al2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Mn3Al2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Mn3Al2Si3O12-O.
********************************************************************************
*         E.8.18. Fe3Al2Si3O12 (Almandine)
********************************************************************************
*           E.8.18.a. Fe3Al2Si3O12
*             /Fe.EMB-AIMP.Seijo.0s.0s.ECP.Fe3Al2Si3O12-Fe.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Fe3Al2Si3O12-Al(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Fe3Al2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Fe3Al2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Fe3Al2Si3O12-O.
********************************************************************************
*         E.8.19. Ca3Fe2Si3O12 (Andradite)
********************************************************************************
*           E.8.19.a. Ca3Fe2Si3O12
*             /Ca.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Fe2Si3O12-Ca.
*             /Fe.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Fe2Si3O12-Fe(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Fe2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Ca3Fe2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Fe2Si3O12-O.
********************************************************************************
*         E.8.20. Ca3Sc2Si3O12
********************************************************************************
*           E.8.20.a. Ca3Sc2Si3O12
*             /Ca.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Sc2Si3O12-Ca.
*             /Sc.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Sc2Si3O12-Sc(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Sc2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Ca3Sc2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Sc2Si3O12-O.
********************************************************************************
*         E.8.21. Lu2CaMg2Si3O12
********************************************************************************
*           E.8.21.a. Lu2CaMg2Si3O12
*             /Lu.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-Lu.
*             /Ca.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-Ca.
*             /Mg.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-Mg(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Lu2CaMg2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-O.
********************************************************************************

********************************************************************************
*         E.8.1. Y3Al5O12 (YAG)
********************************************************************************
*           E.8.1.a. Y3Al5O12
*             /Y.EMB-AIMP.Gracia.0s.0s.ECP.Y3Al5O12-Y.
*             /Al.EMB-AIMP.Gracia.0s.0s.ECP.Y3Al5O12-Al(oct).
*             /Al.EMB-AIMP.Gracia.0s.0s.ECP.Y3Al5O12-Al(tet).
*             /Al.EMB-AIMP.Gracia.11s8p.1s1p.ECP.Y3Al5O12-Al(tet).
*             /O.EMB-AIMP.Gracia.0s.0s.ECP.Y3Al5O12-O.
********************************************************************************
*   Structure:
*     F. Euler, J.A. Bruce. Acta Crystallogr. 19 (1965) 971-978. doi:10.1107/s0365110x65004747
*     (Ia-3d; a=12.000 A, x=-0.0306, =0.0512, z=0.1500)
*   Embedding potentials:
*     J. Gracia, L. Seijo, Z. Barandiaran, D. Curulla, H. Niemansverdriet, W. van Gennip. J. Lumin. 128 (2008) 1248-1254. doi:10.1016/j.jlumin.2007.12.027
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Y.EMB-AIMP.Gracia.0s.0s.ECP.Y3Al5O12-Y.
J. Gracia, L. Seijo, Z. Barandiaran, D. Curulla, H. Niemansverdriet, W. van Gennip. J. Lumin. 128 (2008) 1248-1254. doi:10.1016/j.jlumin.2007.12.027
Embedding AIMP of Y(3+) in Y3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.8807000000e5  6.4784000000e4  1.6202000000e4  4.7739000000e3  1.5493000000e3  5.4307000000e2  2.0126000000e2 87.223000000000 30.642000000000 11.172200000000  4.954500000000
  1.488000000000  0.785970000000
  0.099599409480  0.112154326900  0.199951166200  0.346521686500  0.547630441400  0.616175792300  0.925384324500  1.619946117000  1.064944586000  3.283461932000  0.991882977300
  1.365455742000  0.826891497900
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.2318275800e3  1.7118326080e2 29.130339630000  3.889624562000
      22535.50000000
       3394.40000000
        769.30800000
        207.17200000
        309.47100000
         35.23740000
         14.99810000
         27.48500000
          4.75334000
          2.12962000
          3.44125000
          0.67786900
          0.28811000
          0.37320100
          0.05311200
          0.02174400
 -0.016450622887 -0.005235405027 -0.002155981358  0.000800126785
 -0.118754808361 -0.039875308437 -0.016570121970  0.006161688751
 -0.410184464382 -0.157737517544 -0.066445796124  0.024737908581
 -0.442089434944 -0.220095179495 -0.095784908373  0.035699120857
 -0.097580663135 -0.087727113500 -0.042130928171  0.016187688212
 -0.368549779523  0.723463911438  0.422381837373 -0.162720817715
 -0.126108056419  0.469858283827  0.306611292993 -0.118860243430
  0.403539638843 -0.069686811784  0.135707480518 -0.075746288269
  0.133364027124 -0.037099973650 -1.040633340034  0.507299977703
  0.059063998127 -0.035141787440 -0.509474032238  0.276156525417
 -0.155239581199  0.076408247735  0.241460620039  0.173353381989
 -0.020926323447  0.014466783720  0.046667274092 -0.945437549153
 -0.017294011276  0.012545858564  0.052704527723 -0.463038766779
  0.029217692869 -0.021004475407 -0.086680770412  0.077653151829
  0.000777434263 -0.000588800329 -0.002258643987  0.038391934537
 -0.000304429245  0.000232310992  0.000885625410 -0.011365490253
   10    3
  1.5593199270e2 23.332758300000  2.129580085000
        987.03000000
        232.05400000
         72.33480000
         24.87860000
         11.45280000
          4.71786000
          2.02762000
          1.09391000
          0.46908000
          0.19010900
 -0.025905077634 -0.011034372127 -0.003810947431
 -0.170588913248 -0.076457980032 -0.026592739490
 -0.493620235398 -0.238468539120 -0.084090221216
 -0.453731204167 -0.209712752335 -0.072326967602
 -0.012460241278  0.359498961982  0.159285483934
 -0.045428609466  0.610054558164  0.310826849293
  0.034709974805  0.221016748863  0.064766765833
 -0.023304909805 -0.005407608751 -0.431146533375
  0.008455322564  0.007247073064 -0.649199342983
 -0.002292867421 -0.001794709379 -0.082711554965
    7    1
 12.794053870000
         93.48480000
         26.40650000
          8.82690000
          2.93169000
          1.30181000
          0.38778000
          0.10362400
 -0.049043414602
 -0.253215963461
 -0.532085551226
 -0.391809167574
 -0.027057874459
 -0.016042212058
  0.004261478279
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Gracia.0s.0s.ECP.Y3Al5O12-Al(oct).
J. Gracia, L. Seijo, Z. Barandiaran, D. Curulla, H. Niemansverdriet, W. van Gennip. J. Lumin. 128 (2008) 1248-1254. doi:10.1016/j.jlumin.2007.12.027
Embedding AIMP of Alo(3+) in Y3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7297117000e5  5.7385375500e4  1.3169308000e4  3.6194375900e3  1.1480069300e3  3.9467781500e2  1.4950699700e2 60.264838300000 23.410663800000  9.773332000000  4.340800000000
  1.918320000000
  0.021983965610  0.026646490990  0.049176985200  0.083529654470  0.141414765800  0.235876784300  0.316276439900  0.308810735300  0.350415120900  0.758528064700  0.819834284300
  0.220840041900
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1697777730e2  9.729080356000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666371130  0.001486506195
  0.042199413679  0.011030434845
  0.190348383886  0.054794888632
  0.462112388398  0.144544700036
  0.382433145576  0.138661219352
  0.043210995863  0.073514006068
  0.051211616822 -0.603790575593
  0.066183999736 -0.528489198799
 -0.088877922282  0.018397912372
 -0.002568568829 -0.014521656893
  0.000991842024  0.010892406627
    8    1
  6.372830994000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013939929844
 -0.091713664713
 -0.297452924072
 -0.500118535077
 -0.311270080010
 -0.012287074848
  0.005097063584
 -0.000383339073
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Gracia.0s.0s.ECP.Y3Al5O12-Al(tet).
J. Gracia, L. Seijo, Z. Barandiaran, D. Curulla, H. Niemansverdriet, W. van Gennip. J. Lumin. 128 (2008) 1248-1254. doi:10.1016/j.jlumin.2007.12.027
Embedding AIMP of Alt(3+) in Y3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7364417000e5  5.7242175500e4  1.3135208000e4  3.6116075900e3  1.1443869300e3  3.9336881500e2  1.4888399700e2 59.877038300000 23.202563800000  9.711662000000  4.325120000000
  1.924140000000
  0.021982967820  0.026728914510  0.049179239550  0.083701438190  0.141676322600  0.236414609800  0.316927735100  0.309666835100  0.352035258900  0.760678318300  0.812855449400
  0.221486244200
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1682052930e2  9.570924581000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666385934  0.001486557396
  0.042199468120  0.011032212602
  0.190349103417  0.054792001426
  0.462111100117  0.144634427710
  0.382422811403  0.138962456441
  0.043220891941  0.073271048494
  0.051226912519 -0.605364614906
  0.066346311525 -0.543715434703
 -0.089034861478  0.033035653916
 -0.002614040360 -0.010448459137
  0.001001867473  0.009974486812
    8    1
  6.216092921000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013937393067
 -0.091680869771
 -0.297420306543
 -0.499760667660
 -0.311755255302
 -0.012875247985
  0.006574702980
 -0.000488126629
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Gracia.11s8p.1s1p.ECP.Y3Al5O12-Al(tet).
J. Gracia, L. Seijo, Z. Barandiaran, D. Curulla, H. Niemansverdriet, W. van Gennip. J. Lumin. 128 (2008) 1248-1254. doi:10.1016/j.jlumin.2007.12.027
Embedding AIMP of Alt(3+) in Y3Al5O12 with orthogonality orbitals
     3.0   1
* s-type functions
   11    1
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.001486557396
  0.011032212602
  0.054792001426
  0.144634427710
  0.138962456441
  0.073271048494
 -0.605364614906
 -0.543715434703
  0.033035653916
 -0.010448459137
  0.009974486812
* p-type functions
    8    1
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013937393067
 -0.091680869771
 -0.297420306543
 -0.499760667660
 -0.311755255302
 -0.012875247985
  0.006574702980
 -0.000488126629
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7364417000e5  5.7242175500e4  1.3135208000e4  3.6116075900e3  1.1443869300e3  3.9336881500e2  1.4888399700e2 59.877038300000 23.202563800000  9.711662000000  4.325120000000
  1.924140000000
  0.021982967820  0.026728914510  0.049179239550  0.083701438190  0.141676322600  0.236414609800  0.316927735100  0.309666835100  0.352035258900  0.760678318300  0.812855449400
  0.221486244200
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1682052930e2  9.570924581000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666385934  0.001486557396
  0.042199468120  0.011032212602
  0.190349103417  0.054792001426
  0.462111100117  0.144634427710
  0.382422811403  0.138962456441
  0.043220891941  0.073271048494
  0.051226912519 -0.605364614906
  0.066346311525 -0.543715434703
 -0.089034861478  0.033035653916
 -0.002614040360 -0.010448459137
  0.001001867473  0.009974486812
    8    1
  6.216092921000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013937393067
 -0.091680869771
 -0.297420306543
 -0.499760667660
 -0.311755255302
 -0.012875247985
  0.006574702980
 -0.000488126629
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Gracia.0s.0s.ECP.Y3Al5O12-O.
J. Gracia, L. Seijo, Z. Barandiaran, D. Curulla, H. Niemansverdriet, W. van Gennip. J. Lumin. 128 (2008) 1248-1254. doi:10.1016/j.jlumin.2007.12.027
Embedding AIMP of O(2-) in Y3Al5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021767726920 -0.031807102580 -0.065318695320 -0.121857201600 -0.218449331100 -0.384043435800 -0.510191393100 -0.459112043300 -0.758744090300 -1.302195929000 -1.057599586000
 -0.068913464700
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.328090970000  1.975006447000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201985816  0.001319762401
  0.045638881291  0.009615426388
  0.200053532534  0.046774419137
  0.473801182972  0.115165895617
  0.380745526304  0.099736526978
  0.028981677982  0.068302011390
  0.024655611632 -0.466605612731
 -0.005630659656 -0.638378785651
    6    1
  0.517893310200
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013149860072
 -0.085196709628
 -0.249038097469
 -0.435837377500
 -0.511844812659
  0.093253886725
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.2. Gd3Al5O12 (GdAG)
********************************************************************************
*           E.8.2.a. Gd3Al5O12
*             /Gd.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Al5O12-Gd.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Al5O12-Al(oct).
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Al5O12-Al(tet).
*             /Al.EMB-AIMP.Seijo.11s8p.1s1p.ECP.Gd3Al5O12-Al(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Al5O12-O.
********************************************************************************
*   Structure:
*     F. Euler, J.A. Bruce. Acta Crystallogr. 19 (1965) 971-978. doi:10.1107/s0365110x65004747
*     (Ia-3d; a=12.113 A, x=-0.0311, =0.0509, z=0.1490)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Gd.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Al5O12-Gd.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gd(3+) in Gd3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.2328000000e5  1.0662200000e5  3.1433000000e4  1.0437900000e4  3.7709000000e3  1.3990200000e3  5.3559000000e2  2.4268000000e2 84.033000000000 42.600000000000  8.721600000000
  5.341600000000  2.229680000000  1.091980000000  0.587710000000
  0.180361653400  0.169567414800  0.281329167600  0.441939541600  0.612473267400  0.765800531900  1.342356925000  1.685646186000  1.480384505000  3.979748741000  3.356753456000
  2.530144846000  1.289745122000  1.776850132000  0.440231843700
M2
  0
COREREP
 1.0
PROJOP
    3
   27    5
  3.7065092370e3  6.2116186270e2  1.4150912500e2 30.158623860000  4.149367482000
37001721000.00000000
 4423337400.00000000
  736627460.00000000
  157466940.00000000
   39988049.00000000
   11295642.00000000
    3442911.20000000
    1134401.60000000
     396957.84000000
     146564.47000000
      56594.52400000
      22562.05300000
       9206.73320000
       3830.10310000
       1630.51860000
        716.19740000
        325.13703000
        141.13836000
         65.40259600
         26.42438900
         13.67116900
          5.37568620
          2.67915040
          0.76814741
          0.35394983
        628.75056e-4
        255.54319e-4
 -0.000000917332 -0.000000349079 -0.000000146245  0.000000080682 -0.000000028044
  0.000003986801  0.000001516565  0.000000635878 -0.000000350434  0.000000121948
 -0.000014205728 -0.000005391780 -0.000002271839  0.000001243952 -0.000000435682
  0.000054650712  0.000020522913  0.000008850704 -0.000004699173  0.000001694905
  0.000441243445  0.000158241549  0.000075196169 -0.000035000285  0.000014263445
  0.000565846113  0.000209735118  0.000093340545 -0.000047531092  0.000017858509
  0.001522767147  0.000544739735  0.000261762891 -0.000120008515  0.000049422096
  0.002956203883  0.001096648910  0.000492140422 -0.000248215581  0.000094834841
  0.006031192580  0.002179540528  0.001043016756 -0.000481210592  0.000193815074
  0.011940541599  0.004446368088  0.002038865431 -0.001004874943  0.000407357463
  0.023817954676  0.008874913470  0.004168001905 -0.001990301249  0.000797298007
  0.048161102026  0.018485456186  0.008621256954 -0.004174941578  0.001682996373
  0.098177110031  0.038894250051  0.018373444361 -0.008856296924  0.003562950129
  0.191812863794  0.082367511868  0.039115853062 -0.018986194300  0.007653729141
  0.315420293649  0.154019808611  0.075529538022 -0.036697718449  0.014797469753
  0.335137793082  0.212121626840  0.107188958949 -0.053005422288  0.021454196854
  0.150182418755  0.041586014109  0.019831225301 -0.008751994956  0.003468580986
  0.011788706404 -0.489049769067 -0.398055510955  0.215917218165 -0.089301370208
 -0.000097179987 -0.569452043387 -0.612596712327  0.372304405742 -0.158164425321
 -0.000175566363 -0.104812637293  0.413913904023 -0.385204964353  0.179879324721
  0.000095791459  0.017283488901  0.847326566305 -1.020280252404  0.510706747280
 -0.000055236424 -0.006053004682  0.124799503369  0.559602870815 -0.413009388359
  0.000034470271  0.002946985411 -0.017322298994  0.893093342917 -0.838333262119
 -0.000011942629 -0.000945655554  0.004583326215  0.060660050600  0.749680058254
  0.000005480747  0.000456510702 -0.002193332290 -0.013808107253  0.637894421872
 -0.000001432741 -0.000114993910  0.000516296570  0.002359993324 -0.017182494232
  0.000000716130  0.000053174047 -0.000236544306 -0.001072853329  0.001731356661
   23    4
  5.5362968240e2  1.2001678970e2 22.831132870000  2.108110882000
   52152768.00000000
    7440218.20000000
    1535484.40000000
     390559.57000000
     115469.69000000
      38541.38300000
      14246.67200000
       5740.20120000
       2485.27940000
       1142.78990000
        552.63076000
        278.51980000
        145.30926000
         77.64298100
         41.88607700
         22.88097100
         12.55486200
          6.66949590
          3.48098420
          1.76614860
          0.81730209
          0.37081054
          0.15135526
  0.000000450550 -0.000000179853 -0.000000161179  0.000000032387
 -0.000019254382  0.000009293132  0.000004733802  0.000001262271
 -0.000049081981  0.000024789763  0.000010631040  0.000005053838
 -0.000141218580  0.000068271722  0.000034792721  0.000008978437
 -0.000383475875  0.000190630836  0.000088611977  0.000035932417
 -0.001055753660  0.000522725188  0.000249457606  0.000090087274
 -0.002945442740  0.001466983196  0.000696360279  0.000260322484
 -0.008318426427  0.004171221661  0.001985687961  0.000732400508
 -0.023197090052  0.011767048508  0.005616477507  0.002093227900
 -0.061008057070  0.031616148947  0.015153804994  0.005598765877
 -0.140829645177  0.075536198830  0.036521066167  0.013664284592
 -0.260083869311  0.146567303048  0.071619769120  0.026483898596
 -0.339961818363  0.199295358752  0.098645976451  0.037411171768
 -0.259693238380  0.099353790403  0.039712682452  0.012823570633
 -0.088837114314 -0.226375285585 -0.162562977459 -0.062523741049
 -0.008217531458 -0.508767522448 -0.398157871214 -0.169390680402
 -0.000643771558 -0.339817212692 -0.198715002881 -0.060940320854
  0.000336548402 -0.068756233603  0.420038476428  0.214518256320
 -0.000061072151 -0.002350922134  0.603824258238  0.400946572378
  0.000063619025 -0.000753899575  0.207353015899 -0.014837515303
 -0.000024282625  0.000202056642  0.012085276756 -0.532476444918
  0.000009090421 -0.000079096204  0.001326638786 -0.582952389193
 -0.000002196269  0.000026917816  0.000607676238 -0.012323478086
   15    2
 91.022849190000 12.318247160000
      19762.54400000
       4952.93960000
       1693.28150000
        698.38712000
        305.48376000
        140.53492000
         67.86090500
         33.70837200
         17.12325000
          8.61408110
          4.19848780
          1.95085180
          0.78058449
          0.28167361
        905.59037e-4
 -0.000035516954 -0.000016832536
 -0.000284611283 -0.000136390178
 -0.001625426450 -0.000773518567
 -0.007971422446 -0.003846498557
 -0.034452741222 -0.016652095428
 -0.112760560998 -0.055798412441
 -0.260372872329 -0.129200889699
 -0.388612899826 -0.186146689080
 -0.311303568579 -0.067985944645
 -0.098885908138  0.292213270736
 -0.007317980946  0.514715176001
 -0.000565949399  0.306318148151
  0.000057615978  0.044647014135
 -0.000044471753 -0.001239019014
  0.000012315337  0.000294735260
   10    1    7
  0.133953428800
        383.57372000
        131.68830000
         56.21669300
         26.30729400
         12.94802400
          6.44450780
          3.13348510
          1.46953790
          0.65277113
          0.26165607
 -0.000585915716
 -0.005123491668
 -0.024738723971
 -0.076955494593
 -0.174882002015
 -0.280264010347
 -0.328001180837
 -0.286324334038
 -0.183707535891
 -0.081264752271
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Al5O12-Al(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alo(3+) in Gd3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7297117000e5  5.7385375500e4  1.3169308000e4  3.6194375900e3  1.1480069300e3  3.9467781500e2  1.4950699700e2 60.264838300000 23.410663800000  9.773332000000  4.340800000000
  1.918320000000
  0.021986015660  0.026644262270  0.049187988020  0.083514538600  0.141458582900  0.235815817100  0.316424194600  0.308603718300  0.350853187400  0.757933363200  0.820902411400
  0.220009253900
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1692061310e2  9.672177504000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666366658  0.001486661712
  0.042199371374  0.011032092946
  0.190348217432  0.054798868018
  0.462111496335  0.144590332067
  0.382432353231  0.138785624237
  0.043211640426  0.073431792116
  0.051220350374 -0.604318179456
  0.066230299669 -0.532543442025
 -0.088926287733  0.022206698320
 -0.002581343362 -0.012903090173
  0.000995653812  0.010359498240
    8    1
  6.316689207000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013941262953
 -0.091716417879
 -0.297487264174
 -0.500107928608
 -0.311543013766
 -0.011872942218
  0.005549483693
 -0.000196930915
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alt(3+) in Gd3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7364417000e5  5.7242175500e4  1.3135208000e4  3.6116075900e3  1.1443869300e3  3.9336881500e2  1.4888399700e2 59.877038300000 23.202563800000  9.711662000000  4.325120000000
  1.924140000000
  0.021985583810  0.026727065910  0.049191942860  0.083686932520  0.141725712600  0.236353831300  0.317091337500  0.309453112900  0.352529597900  0.760068389200  0.814104927300
  0.220414899500
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1684302260e2  9.593594386000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666377456  0.001486797164
  0.042199407348  0.011034251257
  0.190348739040  0.054799937297
  0.462110407342  0.144673610111
  0.382424287303  0.139044456869
  0.043219362730  0.073235844078
  0.051234158755 -0.605672106253
  0.066373544355 -0.545597600737
 -0.089064305983  0.034589707915
 -0.002626385081 -0.008764368036
  0.001008666819  0.009030859566
    8    1
  6.239903739000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013939462298
 -0.091687515319
 -0.297471251640
 -0.499779530613
 -0.312110648522
 -0.011882592670
  0.006307419307
 -0.000454115244
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.11s8p.1s1p.ECP.Gd3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alt(3+) in Gd3Al5O12 with orthogonality orbitals
     3.0   1
* s-type functions
   11    1
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.001486797164
  0.011034251257
  0.054799937297
  0.144673610111
  0.139044456869
  0.073235844078
 -0.605672106253
 -0.545597600737
  0.034589707915
 -0.008764368036
  0.009030859566
* p-type functions
    8    1
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013939462298
 -0.091687515319
 -0.297471251640
 -0.499779530613
 -0.312110648522
 -0.011882592670
  0.006307419307
 -0.000454115244
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7364417000e5  5.7242175500e4  1.3135208000e4  3.6116075900e3  1.1443869300e3  3.9336881500e2  1.4888399700e2 59.877038300000 23.202563800000  9.711662000000  4.325120000000
  1.924140000000
  0.021985583810  0.026727065910  0.049191942860  0.083686932520  0.141725712600  0.236353831300  0.317091337500  0.309453112900  0.352529597900  0.760068389200  0.814104927300
  0.220414899500
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1684302260e2  9.593594386000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666377456  0.001486797164
  0.042199407348  0.011034251257
  0.190348739040  0.054799937297
  0.462110407342  0.144673610111
  0.382424287303  0.139044456869
  0.043219362730  0.073235844078
  0.051234158755 -0.605672106253
  0.066373544355 -0.545597600737
 -0.089064305983  0.034589707915
 -0.002626385081 -0.008764368036
  0.001008666819  0.009030859566
    8    1
  6.239903739000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013939462298
 -0.091687515319
 -0.297471251640
 -0.499779530613
 -0.312110648522
 -0.011882592670
  0.006307419307
 -0.000454115244
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Al5O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Gd3Al5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021758689110 -0.031783605960 -0.065306681480 -0.121750746800 -0.218434787200 -0.383713417200 -0.510196240900 -0.458135057000 -0.759120574900 -1.294889646000 -1.063744852000
 -0.071165700740
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.381755660000  2.021841725000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006202079924  0.001318677222
  0.045639536405  0.009600066527
  0.200057276910  0.046762241136
  0.473808138252  0.114653180678
  0.380728339632  0.098241006820
  0.028999012808  0.069500241067
  0.024613968905 -0.463877833160
 -0.005602898282 -0.640628816518
    6    1
  0.564376601100
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013151073429
 -0.085024091621
 -0.249455255599
 -0.432581818926
 -0.515552569279
  0.093739930792
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.3. Er3Al5O12 (ErAG)
********************************************************************************
*           E.8.3.a. Er3Al5O12
*             /Er.EMB-AIMP.Seijo.0s.0s.ECP.Er3Al5O12-Er.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Er3Al5O12-Al(oct).
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Er3Al5O12-Al(tet).
*             /Al.EMB-AIMP.Seijo.11s8p.1s1p.ECP.Er3Al5O12-Al(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Er3Al5O12-O.
********************************************************************************
*   Structure:
*     B. Etschmann, V. Streitsov, N. Ishizawa, E.N. Maslen. Acta Crystallogr. B 57 (2001) 136-141. doi:10.1107/s0108768100019923
*     (Ia-3d; a=11.9928, x=-0.03039, =0.05124, z=0.14915)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Er.EMB-AIMP.Seijo.0s.0s.ECP.Er3Al5O12-Er.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Er(3+) in Er3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.2561000000e5  1.0760400000e5  3.1856000000e4  1.0585900000e4  3.8174000000e3  1.4103900000e3  5.5396000000e2  2.5680000000e2 88.303000000000 48.247000000000 10.234600000000
  5.658800000000  2.156780000000  1.064180000000  0.571760000000
  0.198568021600  0.185823678500  0.307145336900  0.478085304700  0.646572271300  0.825661092200  1.474356458000  1.590874988000  1.767838831000  3.760195434000  4.023514287000
  2.861334982000  1.775952150000  1.536042019000  0.234701809000
M2
  0
COREREP
 1.0
PROJOP
    3
   27    5
  4.2400284990e3  7.2240498570e2  1.6623045410e2 34.988383830000  4.563523160000
68154237000.00000000
 6494725000.00000000
 1053434400.00000000
  219738650.00000000
   52529925.00000000
   14149958.00000000
    4252331.20000000
    1345509.50000000
     449307.91000000
     159715.36000000
      59453.99700000
      23261.38600000
       9501.94230000
       4026.10890000
       1769.09240000
        799.38698000
        370.18641000
        162.56866000
         75.86811200
         30.97710400
         16.02521600
          6.37637790
          3.11680670
          0.85401130
          0.37820352
          0.06099377
        249.68154e-4
  0.000000038382 -0.000000003051 -0.000000012028 -0.000000001935  0.000000001184
 -0.000000193814  0.000000016641  0.000000060132  0.000000009197 -0.000000005963
  0.000000784853 -0.000000096870 -0.000000229167 -0.000000023589  0.000000024109
 -0.000004366573  0.000001053216  0.000001025241 -0.000000107100 -0.000000136110
  0.000514017863 -0.000188197828 -0.000089623955  0.000042370467  0.000016569580
  0.000633177733 -0.000237432825 -0.000107987005  0.000054742566  0.000020548357
  0.001659006553 -0.000606198143 -0.000291620661  0.000135840456  0.000053417128
  0.003434239064 -0.001289519287 -0.000590793074  0.000296682339  0.000112924520
  0.007023071866 -0.002593744251 -0.001242970484  0.000583365432  0.000224077376
  0.014160212576 -0.005357006759 -0.002493483639  0.001229667519  0.000495257736
  0.028362040562 -0.010792460285 -0.005111189786  0.002463570551  0.000962200016
  0.055881102659 -0.021916823359 -0.010341211792  0.005039349006  0.001995406732
  0.109180344383 -0.044379949514 -0.021202136984  0.010293825650  0.004057815852
  0.199728175758 -0.088284165550 -0.042445646024  0.020760375393  0.008207614793
  0.308285763817 -0.154542137779 -0.076781555609  0.037570293462  0.014859225954
  0.318441210553 -0.203491203176 -0.103852511374  0.051784422047  0.020543558787
  0.144321405832 -0.029158920219 -0.011759900559  0.004477701160  0.001723523045
  0.012460632748  0.486550382121  0.403599777113 -0.221303765434 -0.089927346574
 -0.000364601702  0.564279485928  0.611808059000 -0.376033935847 -0.156522930471
 -0.000000378336  0.105513788496 -0.422156499029  0.404491895678  0.185038051363
 -0.000019237816 -0.016953045088 -0.845641518235  1.021799479935  0.502289509415
  0.000001305908  0.005783424978 -0.121218247849 -0.586960818652 -0.426107810173
  0.000005843354 -0.002651843473  0.014596042282 -0.881406551011 -0.798260089307
 -0.000001927868  0.000800216769 -0.003674520749 -0.054367982505  0.800523587903
  0.000000394955 -0.000376874846  0.001718400706  0.012521284014  0.569925172849
 -0.000000143927  0.000096591557 -0.000412897972 -0.002320896213 -0.012567709870
  0.000000134224 -0.000046711108  0.000197922384  0.001108551203  0.000898752647
   23    4
  6.4051558620e2  1.4066446290e2 26.333415370000  2.247593505000
   53962859.00000000
    7689113.00000000
    1583279.60000000
     401396.94000000
     118187.08000000
      39214.58900000
      14420.88000000
       5787.04440000
       2495.81160000
       1143.87800000
        551.76959000
        277.74049000
        145.04343000
         77.62746100
         41.89157900
         23.20015700
         12.83752400
          6.99889550
          3.73919820
          1.92778590
          0.91250304
          0.41494170
          0.17231357
  0.000000654856  0.000000403190  0.000000089652  0.000000121276
  0.000024702321  0.000011983796  0.000006170604  0.000001669451
  0.000063165787  0.000032644088  0.000014101886  0.000006117256
  0.000181190597  0.000088086746  0.000045387668  0.000011897094
  0.000490014536  0.000247545650  0.000115889581  0.000045037773
  0.001346360784  0.000675805322  0.000325209065  0.000114245105
  0.003731636437  0.001886946787  0.000902598186  0.000326285828
  0.010452707818  0.005324267597  0.002557100755  0.000915833409
  0.028825038286  0.014881798461  0.007161106368  0.002581090165
  0.074373155027  0.039317206419  0.019038263410  0.006834721581
  0.165789112140  0.091019885597  0.044424573172  0.016069080883
  0.288294364026  0.166618317837  0.082486712318  0.029687367224
  0.339338351140  0.198843679732  0.098459951254  0.035953363363
  0.221028586820  0.038610742232  0.003409503059 -0.000844987065
  0.059169972464 -0.320920181518 -0.235225312787 -0.090064281081
  0.003383572627 -0.504191344383 -0.405783902636 -0.165778647625
  0.000507593133 -0.259336726904 -0.068112269835 -0.001975626062
 -0.000323098664 -0.040304205643  0.490227814060  0.246863255584
  0.000068514862 -0.002582214606  0.540218009192  0.348228167038
 -0.000054189488 -0.000092136509  0.166631821591 -0.053391263237
  0.000020581784 -0.000058825647  0.009091589688 -0.521374455707
 -0.000007316864  0.000020665904  0.001217511659 -0.555070383907
  0.000001788611 -0.000002080911  0.000414902428 -0.038209063940
   15    2
  1.0773259210e2 14.312560480000
      16417.39100000
       4243.15850000
       1504.24340000
        624.51900000
        285.25007000
        138.83011000
         70.91460500
         37.41041800
         20.25288000
         10.98436500
          5.85030620
          3.07683160
          1.56947020
          0.72945606
          0.21192635
 -0.000067394509  0.000032509320
 -0.000491307894  0.000238170121
 -0.002767553631  0.001342111958
 -0.012779192871  0.006255374872
 -0.046886992489  0.023125814064
 -0.132025825889  0.066523563353
 -0.265999224781  0.133948043388
 -0.360102712828  0.172720490055
 -0.281876547884  0.061411551397
 -0.104650853626 -0.229184178041
 -0.013993024680 -0.436381930623
 -0.000901534965 -0.351104858858
 -0.000158079543 -0.127303893352
 -0.000045497721 -0.015656252153
 -0.000002046170 -0.000189796479
   10    1   11
  0.710875667200
        381.16322000
        130.81426000
         56.03233700
         26.27419500
         12.97999000
          6.46046700
          3.15035170
          1.46891420
          0.63280707
          0.23624462
  0.000953933993
  0.008062984464
  0.036339430313
  0.106298677530
  0.217016968107
  0.306564605350
  0.321322497215
  0.254545719863
  0.143217692837
  0.036799001958
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.0s.0s.ECP.Er3Al5O12-Al(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alo(3+) in Er3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7297117000e5  5.7385375500e4  1.3169308000e4  3.6194375900e3  1.1480069300e3  3.9467781500e2  1.4950699700e2 60.264838300000 23.410663800000  9.773332000000  4.340800000000
  1.918320000000
  0.021982548060  0.026647878940  0.049169585150  0.083539365490  0.141385443200  0.235916350500  0.316177648500  0.308948541100  0.350121895700  0.758926445900  0.819083766900
  0.221433863900
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1695605790e2  9.707007407000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666376151  0.001486365336
  0.042199459832  0.011028952256
  0.190348569031  0.054791224605
  0.462113340400  0.144504560497
  0.382433848233  0.138552397977
  0.043210449430  0.073585293256
  0.051202572777 -0.603341658305
  0.066137850889 -0.525122413437
 -0.088829370321  0.015246463416
 -0.002554444000 -0.016092234124
  0.000983901548  0.011688638112
    8    1
  6.350176580000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013939133879
 -0.091712811794
 -0.297432152143
 -0.500125068070
 -0.311063822073
 -0.012678012088
  0.004577818860
  0.000766919120
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.0s.0s.ECP.Er3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alt(3+) in Er3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7364417000e5  5.7242175500e4  1.3135208000e4  3.6116075900e3  1.1443869300e3  3.9336881500e2  1.4888399700e2 59.877038300000 23.202563800000  9.711662000000  4.325120000000
  1.924140000000
  0.021981242520  0.026731345730  0.049169195720  0.083716844560  0.141635573600  0.236475397100  0.316788566900  0.309876557000  0.351623698500  0.761306082000  0.811797406700
  0.222231423100
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1684044050e2  9.590975969000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666388501  0.001486340939
  0.042199509200  0.011029922630
  0.190349166349  0.054786373294
  0.462112453034  0.144571829254
  0.382425754325  0.138793425066
  0.043218174690  0.073381684931
  0.051213079131 -0.604599691153
  0.066258582105 -0.537493431134
 -0.088945296371  0.027219751693
 -0.002586817808 -0.012946850446
  0.000990329478  0.010848565450
    8    1
  6.234737711000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013936882522
 -0.091685501504
 -0.297401246715
 -0.499831237390
 -0.311419877836
 -0.013221629777
  0.005794257495
  0.000375814512
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.11s8p.1s1p.ECP.Er3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alt(3+) in Er3Al5O12 with orthogonality orbitals
     3.0   1
* s-type functions
   11    1
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.001486340939
  0.011029922630
  0.054786373294
  0.144571829254
  0.138793425066
  0.073381684931
 -0.604599691153
 -0.537493431134
  0.027219751693
 -0.012946850446
  0.010848565450
* p-type functions
    8    1
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013936882522
 -0.091685501504
 -0.297401246715
 -0.499831237390
 -0.311419877836
 -0.013221629777
  0.005794257495
  0.000375814512
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7364417000e5  5.7242175500e4  1.3135208000e4  3.6116075900e3  1.1443869300e3  3.9336881500e2  1.4888399700e2 59.877038300000 23.202563800000  9.711662000000  4.325120000000
  1.924140000000
  0.021981242520  0.026731345730  0.049169195720  0.083716844560  0.141635573600  0.236475397100  0.316788566900  0.309876557000  0.351623698500  0.761306082000  0.811797406700
  0.222231423100
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1684044050e2  9.590975969000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666388501  0.001486340939
  0.042199509200  0.011029922630
  0.190349166349  0.054786373294
  0.462112453034  0.144571829254
  0.382425754325  0.138793425066
  0.043218174690  0.073381684931
  0.051213079131 -0.604599691153
  0.066258582105 -0.537493431134
 -0.088945296371  0.027219751693
 -0.002586817808 -0.012946850446
  0.000990329478  0.010848565450
    8    1
  6.234737711000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013936882522
 -0.091685501504
 -0.297401246715
 -0.499831237390
 -0.311419877836
 -0.013221629777
  0.005794257495
  0.000375814512
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Er3Al5O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Er3Al5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021766068110 -0.031807136480 -0.065310161500 -0.121861543200 -0.218416257700 -0.384059778800 -0.510099914200 -0.459241488700 -0.758297244500 -1.302188713000 -1.058202465000
 -0.068749229020
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.287445340000  1.936494479000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201990834  0.001318991902
  0.045638879638  0.009608119356
  0.200053998492  0.046752643451
  0.473799242030  0.115000566176
  0.380738286868  0.099343690018
  0.028988180152  0.068542156348
  0.024653435853 -0.465324178922
 -0.005617102524 -0.639478124830
    6    1
  0.477052182500
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013148638202
 -0.085226601650
 -0.248952164516
 -0.435996161302
 -0.511757254835
  0.093342274785
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.4. Yb3Al5O12 (YbAG)
********************************************************************************
*           E.8.4.a. Yb3Al5O12
*             /Yb.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Al5O12-Yb.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Al5O12-Al(oct).
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Al5O12-Al(tet).
*             /Al.EMB-AIMP.Seijo.11s8p.1s1p.ECP.Yb3Al5O12-Al(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Al5O12-O.
********************************************************************************
*   Structure:
*     F. Euler, J.A. Bruce. Acta Crystallogr. 19 (1965) 971-978. doi:10.1107/s0365110x65004747
*     (Ia-3d; a=11.931 A, x=-0.0296, =0.0529, z=0.1504)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Yb.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Al5O12-Yb.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Yb(3+) in Yb3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  4.9989000000e5  9.7959000000e4  2.8077000000e4  9.1392000000e3  3.2229000000e3  1.1518400000e3  4.6457000000e2  2.1342000000e2 77.565000000000 47.728000000000 10.815900000000
  5.650200000000  2.113180000000  1.031310000000  0.555780000000
  0.215928186800  0.210931560700  0.350184487300  0.538252938400  0.708907198000  0.984673506800  1.755026912000  1.268239739000  2.544818265000  2.842389692000  4.524440829000
  2.894619179000  1.979815758000  1.367404517000  0.147700571600
M2
  0
COREREP
 1.0
PROJOP
    3
   27    5
  4.5229830090e3  7.7663011560e2  1.7943789520e2 37.535265910000  4.785966182000
71671917000.00000000
 6852841700.00000000
 1106179400.00000000
  229631520.00000000
   55103176.00000000
   14844859.00000000
    4330035.30000000
    1362292.70000000
     455129.54000000
     160284.05000000
      59517.78700000
      23205.18500000
       9486.29640000
       4034.79720000
       1776.82990000
        806.29235000
        375.30396000
        170.09758000
         80.21751000
         33.23581400
         17.20624400
          6.88591310
          3.35803840
          0.91181315
          0.39903684
        630.49721e-4
        255.66065e-4
  0.000000972204  0.000000353668  0.000000177809 -0.000000077653  0.000000033643
 -0.000004784466 -0.000001740516 -0.000000875023  0.000000382167 -0.000000165552
  0.000016802653  0.000006112463  0.000003073077 -0.000001342084  0.000000581377
 -0.000048255750 -0.000017549205 -0.000008830014  0.000003851123 -0.000001670933
  0.000110573442  0.000040081844  0.000020343985 -0.000008744541  0.000003862787
  0.001261511436  0.000472380180  0.000219018368 -0.000109051117  0.000040812384
  0.001371754353  0.000506977475  0.000246540614 -0.000113853297  0.000045498006
  0.004190320165  0.001579558824  0.000729232984 -0.000366092727  0.000137843805
  0.007372931088  0.002758025462  0.001327826337 -0.000624627706  0.000239987868
  0.015890996774  0.006056896251  0.002834074960 -0.001399679447  0.000555251012
  0.030769564654  0.011848262131  0.005637609136 -0.002725246917  0.001057284517
  0.060913075109  0.024149861402  0.011452853629 -0.005596005246  0.002193970735
  0.116213901661  0.047964103045  0.023041445661 -0.011217282074  0.004382762405
  0.209027963974  0.093836773022  0.045387171599 -0.022271208614  0.008725489945
  0.313046402591  0.160632643712  0.080413442198 -0.039460520235  0.015465025127
  0.307688146961  0.198188009134  0.101677240264 -0.050939430773  0.020033050022
  0.129087263184  0.005372303952 -0.002887272143  0.003345724483 -0.001415147991
  0.009643850925 -0.494583283702 -0.417684762093  0.230228020017 -0.092745960253
  0.000214360278 -0.548253729443 -0.597701319211  0.370641130663 -0.153071007984
 -0.000283623648 -0.100533155255  0.440384984477 -0.428013413806  0.194484380408
  0.000148172201  0.015222322196  0.835473349729 -1.009071372064  0.490774861564
 -0.000073758337 -0.005103608344  0.119006445937  0.598170210545 -0.428496269898
  0.000041652913  0.002305623842 -0.014020117270  0.873974812115 -0.781679214498
 -0.000012948638 -0.000677690194  0.003507960075  0.054199233647  0.794086524397
  0.000005368020  0.000314596818 -0.001627382237 -0.012664842694  0.569009493368
 -0.000001388143 -0.000080277983  0.000390740735  0.002396883431 -0.011904109051
  0.000000820951  0.000039110428 -0.000187774116 -0.001157673797  0.000627461360
   23    4
  6.8650821840e2  1.5156647340e2 28.144243320000  2.323320724000
   54522375.00000000
    7756402.20000000
    1591450.30000000
     401990.82000000
     118400.33000000
      39288.98900000
      14434.44400000
       5789.64170000
       2497.81700000
       1143.66880000
        551.53591000
        277.68476000
        144.98333000
         77.52811200
         41.79454800
         23.21254600
         12.92239700
          7.01919830
          3.75167190
          1.93018560
          0.92262189
          0.42161742
          0.17537191
 -0.000001387232 -0.000000753193  0.000000264954  0.000000165833
 -0.000027914767 -0.000013752789  0.000007012010  0.000001994124
 -0.000072371201 -0.000037185919  0.000016437752  0.000006677459
 -0.000205824200 -0.000101695034  0.000051857105  0.000014371815
 -0.000555587446 -0.000281712857  0.000132766340  0.000050039259
 -0.001520187787 -0.000768630119  0.000370688827  0.000128820820
 -0.004201940295 -0.002139152798  0.001026603959  0.000365082234
 -0.011677658678 -0.005992751681  0.002887715919  0.001019361233
 -0.031964396804 -0.016638387612  0.008033191731  0.002850842799
 -0.081634615796 -0.043569301031  0.021182336430  0.007494737115
 -0.178290063936 -0.098948753444  0.048487819893  0.017270398769
 -0.300725246212 -0.175801611278  0.087485049136  0.031042890408
 -0.336123217168 -0.194972198215  0.096173910816  0.034521744415
 -0.201435833140 -0.003332570263 -0.018516416565 -0.008925755782
 -0.046963374046  0.368079153396 -0.273787282388 -0.103993279761
 -0.002135933951  0.488741391830 -0.395063569684 -0.158377882045
 -0.000316366375  0.220337810278  0.007857111741  0.032159833657
  0.000226500359  0.030843206467  0.529564627380  0.265533276862
 -0.000028601440  0.001471723791  0.500452173327  0.319811579941
  0.000029722109  0.000284739541  0.134534776975 -0.100230919499
 -0.000011109369 -0.000042536026  0.006292586817 -0.523411324047
  0.000003689131  0.000019311961  0.001143226721 -0.530210782583
 -0.000000857118  0.000008511859 -0.000393024542 -0.031733012834
   15    2
  1.1650010850e2 15.321715480000
      18187.93200000
       4693.70600000
       1574.51950000
        630.46752000
        284.53395000
        138.57521000
         70.87766300
         37.39173500
         20.23540500
         10.97915700
          5.84952860
          3.05669180
          1.52299580
          0.65156983
        857.28077e-4
 -0.000065296375 -0.000031678537
 -0.000496457351 -0.000241841300
 -0.003095711288 -0.001510528516
 -0.014784091776 -0.007278538850
 -0.053387300308 -0.026531199803
 -0.145645237734 -0.073921733396
 -0.283480004120 -0.143323257298
 -0.364310961060 -0.172200322931
 -0.259987566513 -0.029673092444
 -0.085895375611  0.267112677428
 -0.010103074020  0.441218913145
 -0.000802301377  0.326043166484
 -0.000146607319  0.104881210951
 -0.000039314022  0.009190770007
  0.000000653884  0.000191174512
   10    1   13
  1.015983787000
        936.47925000
        236.16785000
         88.82383000
         38.89926000
         18.23438400
          8.74166850
          4.09937970
          1.83554510
          0.75881066
          0.27270801
  0.000193430844
  0.003146187611
  0.020637371760
  0.076074918288
  0.188458291179
  0.306660252028
  0.348499719087
  0.285350738429
  0.159554212983
  0.038894970279
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Al5O12-Al(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alo(3+) in Yb3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7297117000e5  5.7385375500e4  1.3169308000e4  3.6194375900e3  1.1480069300e3  3.9467781500e2  1.4950699700e2 60.264838300000 23.410663800000  9.773332000000  4.340800000000
  1.918320000000
  0.021982764620  0.026648070740  0.049170161830  0.083539827310  0.141387208500  0.235917177500  0.316182475800  0.308949609700  0.350140499400  0.758932858400  0.819133616100
  0.221349063400
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1693374180e2  9.684819934000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666374417  0.001486370543
  0.042199454495  0.011028879194
  0.190348479348  0.054791795504
  0.462113558001  0.144498296802
  0.382435189354  0.138529450698
  0.043209152565  0.073605028761
  0.051200482517 -0.603222041656
  0.066121047158 -0.524064547650
 -0.088812164666  0.014190540000
 -0.002551851990 -0.016171380237
  0.000984593531  0.011483075606
    8    1
  6.327877532000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
  0.013939530746
  0.091715745187
  0.297440152972
  0.500148814095
  0.311069318869
  0.012506544024
 -0.004368759977
 -0.000779117804
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alt(3+) in Yb3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7364417000e5  5.7242175500e4  1.3135208000e4  3.6116075900e3  1.1443869300e3  3.9336881500e2  1.4888399700e2 59.877038300000 23.202563800000  9.711662000000  4.325120000000
  1.924140000000
  0.021981235790  0.026731013730  0.049169624720  0.083715256790  0.141637688700  0.236469785600  0.316796637200  0.309859492300  0.351646714300  0.761250435500  0.811843176800
  0.222232272000
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1684875810e2  9.599314765000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666389460  0.001486332463
  0.042199511861  0.011029974858
  0.190349217198  0.054785662022
  0.462112318776  0.144577941135
  0.382424942874  0.138816917876
  0.043218941597  0.073360962937
  0.051214393843 -0.604716792098
  0.066270582767 -0.538604161551
 -0.088957170754  0.028314138045
 -0.002589294852 -0.012746495020
  0.000990563171  0.010866857506
    8    1
  6.243062870000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013936765925
 -0.091683933762
 -0.297399824956
 -0.499812977616
 -0.311437957808
 -0.013317831933
  0.006008080496
  0.000375480021
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.11s8p.1s1p.ECP.Yb3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alt(3+) in Yb3Al5O12 with orthogonality orbitals
     3.0   1
* s-type functions
   11    1
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.001486332463
  0.011029974858
  0.054785662022
  0.144577941135
  0.138816917876
  0.073360962937
 -0.604716792098
 -0.538604161551
  0.028314138045
 -0.012746495020
  0.010866857506
* p-type functions
    8    1
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013936765925
 -0.091683933762
 -0.297399824956
 -0.499812977616
 -0.311437957808
 -0.013317831933
  0.006008080496
  0.000375480021
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7364417000e5  5.7242175500e4  1.3135208000e4  3.6116075900e3  1.1443869300e3  3.9336881500e2  1.4888399700e2 59.877038300000 23.202563800000  9.711662000000  4.325120000000
  1.924140000000
  0.021981235790  0.026731013730  0.049169624720  0.083715256790  0.141637688700  0.236469785600  0.316796637200  0.309859492300  0.351646714300  0.761250435500  0.811843176800
  0.222232272000
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1684875810e2  9.599314765000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666389460  0.001486332463
  0.042199511861  0.011029974858
  0.190349217198  0.054785662022
  0.462112318776  0.144577941135
  0.382424942874  0.138816917876
  0.043218941597  0.073360962937
  0.051214393843 -0.604716792098
  0.066270582767 -0.538604161551
 -0.088957170754  0.028314138045
 -0.002589294852 -0.012746495020
  0.000990563171  0.010866857506
    8    1
  6.243062870000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013936765925
 -0.091683933762
 -0.297399824956
 -0.499812977616
 -0.311437957808
 -0.013317831933
  0.006008080496
  0.000375480021
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Al5O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Yb3Al5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021768645350 -0.031818628000 -0.065306616760 -0.121918240100 -0.218387125300 -0.384238624300 -0.509998870200 -0.459832796500 -0.757746655400 -1.305442921000 -1.055922629000
 -0.067618247450
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.284891690000  1.937758953000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201952875  0.001318802953
  0.045638661178  0.009608200138
  0.200052457989  0.046740497074
  0.473798293673  0.115064242415
  0.380750953793  0.099606715215
  0.028975271873  0.068279451784
  0.024664384367 -0.465399436793
 -0.005622075779 -0.639446822698
    6    1
  0.477680390500
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013149449214
 -0.085328876219
 -0.248760668012
 -0.437401099258
 -0.510502178626
  0.094004846471
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.5. Lu3Al5O12 (LuAG)
********************************************************************************
*           E.8.5.a. Lu3Al5O12
*             /Lu.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Al5O12-Lu.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Al5O12-Al(oct).
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Al5O12-Al(tet).
*             /Al.EMB-AIMP.Seijo.11s8p.1s1p.ECP.Lu3Al5O12-Al(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Al5O12-O.
********************************************************************************
*   Structure:
*     F. Euler, J.A. Bruce. Acta Crystallogr. 19 (1965) 971-978. doi:10.1107/s0365110x65004747
*     (Ia-3d; a=11.906 A, x=-0.0294, =0.0537, z=0.1509)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Lu.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Al5O12-Lu.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Lu(3+) in Lu3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.4113000000e5  7.8986000000e4  2.1089000000e4  6.5103000000e3  2.1448000000e3  7.2729000000e2  3.0545000000e2 95.422000000000 51.838000000000 11.056200000000  5.304800000000
  1.810700000000  0.823690000000
  0.240610470600  0.255791134900  0.433298053800  0.652003313200  0.850709875500  1.482515705000  1.855953958000  2.131329431000  3.592325977000  4.949328033000  2.981965029000
  2.335286672000  0.905549014800
M2
  0
COREREP
 1.0
PROJOP
    3
   27    5
  4.6693452200e3  8.0479141080e2  1.8629681430e2 38.859736660000  4.911110268000
67013119000.00000000
 7216717800.00000000
 1171529200.00000000
  235233120.00000000
   55877724.00000000
   14949778.00000000
    4363017.00000000
    1375340.50000000
     456540.52000000
     160435.37000000
      59637.10400000
      23233.14400000
       9474.04090000
       4032.73130000
       1779.75390000
        807.87768000
        374.92607000
        172.16227000
         81.75905400
         34.04620200
         17.67359800
          7.08409260
          3.47950730
          0.99316525
          0.44583214
        772.13035e-4
        305.33522e-4
  0.000006147468 -0.000002298641  0.000001084758  0.000000527787  0.000000205528
  0.000020931236 -0.000007825322  0.000003692529  0.000001796663  0.000000699652
  0.000062010885 -0.000023178514  0.000010937943  0.000005321691  0.000002072335
  0.000163070534 -0.000060961145  0.000028764725  0.000013996176  0.000005450381
  0.000388421844 -0.000145244405  0.000068548197  0.000033350956  0.000012987222
  0.000880589308 -0.000329631346  0.000155562480  0.000075698766  0.000029479375
  0.001896176647 -0.000710914102  0.000335688331  0.000163331815  0.000063602768
  0.003969345446 -0.001493442687  0.000705264204  0.000343284722  0.000133697431
  0.008184691832 -0.003095083350  0.001463851515  0.000712378478  0.000277405269
  0.016333838844 -0.006239878052  0.002952617134  0.001438352161  0.000560325697
  0.032283113925 -0.012510543906  0.005944465047  0.002894356520  0.001127121231
  0.063253160249 -0.025215165649  0.012001072146  0.005859420997  0.002283953211
  0.120486791932 -0.050097667226  0.024118787560  0.011764713068  0.004582892412
  0.213420555007 -0.096617889557  0.046869527128  0.023031159219  0.008990737627
  0.315160709262 -0.163495423401  0.082156964845  0.040360253479  0.015746840034
  0.302937440426 -0.195808301155  0.100638233510  0.050561679335  0.019836956640
  0.121165887446  0.010653867137 -0.012959556875 -0.008847407776 -0.003686319892
  0.007604226790  0.503647696334 -0.431205817816 -0.238281891882 -0.095466685259
  0.000643299038  0.534048703218 -0.582627075169 -0.363848722735 -0.150196382309
 -0.000518051436  0.095840091949  0.464979231249  0.457497149119  0.208696155583
  0.000299807723 -0.014776590982  0.818850980269  0.986587100086  0.475266965253
 -0.000143522322  0.005047573108  0.115515753980 -0.614358772213 -0.432269411676
  0.000074003338 -0.002352465170 -0.014467231540 -0.857221692236 -0.774248057673
 -0.000024680531  0.000734593960  0.003858244377 -0.057443765367  0.701232280366
  0.000011744335 -0.000345602805 -0.001793849467  0.013001072604  0.655253861911
 -0.000003007997  0.000087080272  0.000424354203 -0.002437701304  0.001842660136
  0.000001383243 -0.000040014723 -0.000194856712  0.001124527090 -0.006179952375
   23    4
  7.1015976600e2  1.5717560640e2 29.074923260000  2.371419858000
   55602773.00000000
    7765745.90000000
    1589584.30000000
     401810.95000000
     118603.34000000
      39300.00000000
      14430.35400000
       5793.12460000
       2497.82150000
       1143.71730000
        551.39771000
        277.75014000
        145.03033000
         77.44745600
         41.75015500
         23.22694800
         12.93638700
          7.02606490
          3.74450470
          1.89919080
          0.91463474
          0.42267369
          0.17333636
 -0.000008054568 -0.000004053273 -0.000001944157  0.000000682439
 -0.000027078095 -0.000013634153 -0.000006540669  0.000002295759
 -0.000079282009 -0.000039958712 -0.000019172193  0.000006730975
 -0.000218328885 -0.000110215721 -0.000052907859  0.000018569239
 -0.000590821968 -0.000298976465 -0.000143563425  0.000050427472
 -0.001617648499 -0.000821568180 -0.000394983977  0.000138601930
 -0.004449199670 -0.002271940392 -0.001092995609  0.000384311222
 -0.012329999093 -0.006350600629 -0.003063534727  0.001074988327
 -0.033633075455 -0.017577623931 -0.008500019692  0.002993846047
 -0.085361330116 -0.045767421573 -0.022289391468  0.007830818487
 -0.184635114488 -0.103019938864 -0.050575108487  0.017885933692
 -0.306177933467 -0.179922432975 -0.089736653124  0.031611756549
 -0.333940944257 -0.192210139100 -0.094508446694  0.033671837024
 -0.191849854355  0.015580024296  0.030487901892 -0.013346557196
 -0.041370213548  0.389529365165  0.292137162152 -0.110341160501
 -0.001845993934  0.478692110124  0.385624446073 -0.153311741440
 -0.000145865187  0.202678842059 -0.045196720770  0.049054159313
  0.000133805790  0.026107453083 -0.546135574829  0.272658816883
  0.000015677792  0.001459649498 -0.482015534161  0.306344394346
  0.000006078684  0.000165592035 -0.118271090545 -0.133039545385
 -0.000001395072 -0.000004040957 -0.003787423552 -0.519834214591
  0.000000043631  0.000004885302 -0.001406924453 -0.515134559115
  0.000000070089 -0.000004865843  0.000455792487 -0.025657744064
   15    2
  1.2099696490e2 15.838392940000
      16241.49300000
       4278.98820000
       1524.59710000
        640.85771000
        295.56552000
        143.52658000
         71.89617500
         36.65707500
         18.88423700
          9.51045680
          4.62082260
          2.11200860
          0.75168436
          0.25140270
        754.71915e-4
 -0.000085227786 -0.000041410173
 -0.000604050269 -0.000295460844
 -0.003323687046 -0.001623963386
 -0.014681175909 -0.007257132725
 -0.052573751090 -0.026160439294
 -0.148495995363 -0.075639055753
 -0.301129839898 -0.152372233245
 -0.388472922742 -0.180770410522
 -0.249912061962  0.020933522809
 -0.059007893734  0.385961404381
 -0.003152877598  0.487184768054
 -0.000572910534  0.223580259357
  0.000003395580  0.021283068455
 -0.000021618700 -0.001550311693
  0.000006353626  0.000320154202
   10    1
  1.180551788000
       1573.11130000
        295.92915000
        108.34588000
         47.08844000
         21.82595400
         10.48002400
          4.98865320
          2.30476150
          0.99952257
          0.38102157
 -0.000091144520
 -0.002175116998
 -0.015333377193
 -0.061824113496
 -0.166130598283
 -0.288184302113
 -0.342936408185
 -0.296696596471
 -0.187256344500
 -0.063567214351
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Al5O12-Al(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alo(3+) in Lu3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7297117000e5  5.7385375500e4  1.3169308000e4  3.6194375900e3  1.1480069300e3  3.9467781500e2  1.4950699700e2 60.264838300000 23.410663800000  9.773332000000  4.340800000000
  1.918320000000
  0.021983198460  0.026647828520  0.049172176140  0.083537730860  0.141394962200  0.235908064100  0.316208472000  0.308916319100  0.350224342900  0.758826758500  0.819354142900
  0.221159337600
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1703315500e2  9.784488817000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666372787  0.001486391262
  0.042199439098  0.011029180883
  0.190348424153  0.054792034259
  0.462113217071  0.144509190083
  0.382434873239  0.138563450407
  0.043209396888  0.073579476556
  0.051203495928 -0.603359381699
  0.066136232754 -0.525130211629
 -0.088828290955  0.015221725417
 -0.002555552482 -0.015732309811
  0.000987245216  0.011187890180
    8    1
  6.427491288000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013939962603
 -0.091717321497
 -0.297450634404
 -0.500154262118
 -0.311129185203
 -0.012349249381
  0.004389916094
  0.000742492066
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alt(3+) in Lu3Al5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7364417000e5  5.7242175500e4  1.3135208000e4  3.6116075900e3  1.1443869300e3  3.9336881500e2  1.4888399700e2 59.877038300000 23.202563800000  9.711662000000  4.325120000000
  1.924140000000
  0.021981291950  0.026730764630  0.049170186880  0.083713937520  0.141640210700  0.236464843200  0.316806172900  0.309839845000  0.351675407500  0.761180856400  0.811948578800
  0.222181237800
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1693942890e2  9.690052306000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666388798  0.001486376403
  0.042199500209  0.011030507028
  0.190349205948  0.054786566771
  0.462111909027  0.144594686462
  0.382423998051  0.138865616438
  0.043219802854  0.073326482649
  0.051218402831 -0.604936882031
  0.066296356699 -0.540437466729
 -0.088983498219  0.030055411313
 -0.002596373040 -0.012086699637
  0.000993558657  0.010623753321
    8    1
  6.334014163000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013936544168
 -0.091680550120
 -0.297397110695
 -0.499783481860
 -0.311508758775
 -0.013231234294
  0.006157116545
 -0.000332643675
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.11s8p.1s1p.ECP.Lu3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alt(3+) in Lu3Al5O12  with orthogonality functions
     3.0   1
* s-type functions
   11    1
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.001486376403
  0.011030507028
  0.054786566771
  0.144594686462
  0.138865616438
  0.073326482649
 -0.604936882031
 -0.540437466729
  0.030055411313
 -0.012086699637
  0.010623753321
* p-type functions
    8    1
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013936544168
 -0.091680550120
 -0.297397110695
 -0.499783481860
 -0.311508758775
 -0.013231234294
  0.006157116545
 -0.000332643675
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7364417000e5  5.7242175500e4  1.3135208000e4  3.6116075900e3  1.1443869300e3  3.9336881500e2  1.4888399700e2 59.877038300000 23.202563800000  9.711662000000  4.325120000000
  1.924140000000
  0.021981291950  0.026730764630  0.049170186880  0.083713937520  0.141640210700  0.236464843200  0.316806172900  0.309839845000  0.351675407500  0.761180856400  0.811948578800
  0.222181237800
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1693942890e2  9.690052306000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666388798  0.001486376403
  0.042199500209  0.011030507028
  0.190349205948  0.054786566771
  0.462111909027  0.144594686462
  0.382423998051  0.138865616438
  0.043219802854  0.073326482649
  0.051218402831 -0.604936882031
  0.066296356699 -0.540437466729
 -0.088983498219  0.030055411313
 -0.002596373040 -0.012086699637
  0.000993558657  0.010623753321
    8    1
  6.334014163000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013936544168
 -0.091680550120
 -0.297397110695
 -0.499783481860
 -0.311508758775
 -0.013231234294
  0.006157116545
 -0.000332643675
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Al5O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Lu3Al5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021770164770 -0.031829030230 -0.065299256260 -0.121971658900 -0.218344978500 -0.384409228500 -0.509861148000 -0.460403037700 -0.756971642600 -1.308590211000 -1.054027220000
 -0.066522423050
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.290223930000  1.946061521000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201928236  0.001318493603
  0.045638559282  0.009606941579
  0.200051373812  0.046725772593
  0.473799462225  0.115091368877
  0.380764668747  0.099766810867
  0.028961595518  0.068092048639
  0.024666097223 -0.465256958819
 -0.005621478303 -0.639597382977
    6    1
  0.486383804200
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013146047553
 -0.085418928225
 -0.248466015979
 -0.438813009463
 -0.509339803876
  0.094679945039
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.6. Y3Ga5O12 (YGG)
********************************************************************************
*           E.8.6.a. Y3Ga5O12
*             /Y.EMB-AIMP.Seijo.0s.0s.ECP.Y3Ga5O12-Y.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Y3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Y3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Y3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Y3Ga5O12-O.
********************************************************************************
*   Structure:
*     A. Nakatsuka, A. Yoshiasa, S. Takeno. Acta Crystallogr. B 51 (1995) 737-745. doi:10.1107/s0108768194014813
*     (Ia-3d; a=12.273 A, x=-0.0274, =0.0546, z=0.1493)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Y.EMB-AIMP.Seijo.0s.0s.ECP.Y3Ga5O12-Y.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Y(3+) in Y3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.1499000000e5  6.9567000000e4  1.7539000000e4  5.1525000000e3  1.6639000000e3  5.9044000000e2  2.1679000000e2 90.528000000000 30.758000000000 11.260200000000  4.851700000000
  1.463900000000  0.735930000000
  0.099840353550  0.113110422200  0.198706165600  0.345490951200  0.531898911300  0.597462596600  0.926543779800  1.656078641000  1.077547050000  3.302017412000  0.968338592100
  1.514095123000  0.668870002500
M2
  0
COREREP
 1.0
PROJOP
    2
   16    4
  1.2561741770e3  1.7717992940e2 30.265217940000  4.087858143000
      22535.50000000
       3394.40000000
        769.30800000
        207.17200000
        309.47100000
         35.23740000
         14.99810000
         27.48500000
          4.75334000
          2.12962000
          3.44125000
          0.67786900
          0.28811000
          0.37320100
          0.05311200
          0.02174400
 -0.031608010904 -0.010538356112 -0.004360317625  0.001617542021
 -0.140497646906 -0.049956183978 -0.020898440641  0.007770258284
 -0.421643076098 -0.168258234018 -0.071025356787  0.026414120123
 -0.424969488275 -0.182676937648 -0.075354196546  0.027662721059
 -0.089461948188 -0.103200681004 -0.051521904544  0.019905974981
 -0.326650506559  0.924523635074  0.555012309015 -0.215110661889
 -0.109747777861  0.513274618795  0.301364376682 -0.111226260342
  0.355203898950 -0.293589092898  0.003477191161 -0.025600492833
  0.114964086206 -0.140978025936 -1.197628158495  0.587673932232
  0.050784407844 -0.081548527185 -0.542485004683  0.243294658721
 -0.133648085898  0.196015009709  0.418898717924  0.109222573176
 -0.017967617413  0.031679298749  0.077422439854 -0.991545264276
 -0.014842425782  0.027068986252  0.077658667229 -0.461821052791
  0.025078270469 -0.045411502012 -0.128413882557  0.133984425581
  0.000666916417 -0.001251191555 -0.003479302001  0.037324661524
 -0.000261081347  0.000491923065  0.001379758480 -0.011389586164
   10    3
  1.5745656550e2 23.641386520000  2.196889327000
        987.03000000
        232.05400000
         72.33480000
         24.87860000
         11.45280000
          4.71786000
          2.02762000
          1.09391000
          0.46908000
          0.19010900
  0.031481435500 -0.013533954777 -0.004672841545
  0.180018301205 -0.081318908049 -0.028275774340
  0.496962356663 -0.240583255751 -0.084714779502
  0.443199468485 -0.198491999243 -0.067808366313
  0.010898954834  0.369429636737  0.163799913150
  0.043864494880  0.606319224209  0.308276674227
 -0.033507074011  0.210896140254  0.053424118891
  0.022483787070 -0.003742790100 -0.433956964455
 -0.008153946785  0.006301928111 -0.643757998124
  0.002210656215 -0.001529012166 -0.079007051422
    7    1
 12.627777800000
         93.48480000
         26.40650000
          8.82690000
          2.93169000
          1.30181000
          0.38778000
          0.10362400
  0.050047725053
  0.252687873041
  0.530035728424
  0.392926507182
  0.029376751544
  0.016277111768
 -0.004294427459
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Y3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gao(3+) in Y3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.9574000000e5  6.5160000000e4  1.6086000000e4  4.6715000000e3  1.5381000000e3  5.5165000000e2  1.9330000000e2 74.273000000000 33.693000000000 10.016700000000  4.648500000000
  2.051300000000  0.844520000000
  0.071943297040  0.081919888260  0.146770241900  0.252782389800  0.408330272600  0.533295296700  0.653658559400  1.276590998000  1.118820245000  1.301140467000  2.274688547000
  1.062656194000  0.150736937100
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5594482880e2 95.969928580000 12.539328550000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491980 -0.000004279725 -0.000001668404
  0.000131163489 -0.000043089072 -0.000017181902
  0.000530468700 -0.000171733707 -0.000067792746
 -0.000311934842  0.000104662127  0.000042488465
  0.001402143024 -0.000441490263 -0.000170366215
  0.003678574811 -0.001145096698 -0.000435703802
  0.013499437398 -0.004243412373 -0.001623479649
  0.040090969061 -0.012868233528 -0.004924656784
  0.106443051788 -0.035723026307 -0.013776621348
  0.232114769398 -0.086622950635 -0.033768282122
  0.364365302520 -0.169076291069 -0.068071431963
  0.307543377849 -0.210081987458 -0.089003541360
  0.080427577798  0.026403197903  0.011656365923
 -0.002091497646  0.532878666518  0.332655115509
  0.003317928096  0.503059650329  0.468641422738
 -0.001366271790  0.088535497889 -0.174750132234
  0.000409993018 -0.001314851174 -0.724717681083
 -0.000327966954  0.002339486250 -0.377332707411
  0.000091487608 -0.000320837717 -0.011767256262
  0.000007645581 -0.000096529870  0.007990672836
   15    2
 84.795161160000  8.759689796000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
  0.000016436682 -0.000006204667
  0.000246402690 -0.000093680858
  0.001889025533 -0.000716052992
  0.009964989283 -0.003823252068
  0.039612521397 -0.015359409948
  0.119508711227 -0.048148882359
  0.263338555950 -0.110434772385
  0.386818406145 -0.174968981420
  0.293029263014 -0.095726876175
  0.071898100819  0.248030570770
  0.001982633338  0.517002846263
  0.001434935022  0.352939771895
 -0.000189503182  0.049075607852
  0.000064371811 -0.008178061416
 -0.000027812362  0.000380443202
    9    1
  2.182971436000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572666319
  0.005773279127
  0.029833997464
  0.099721740771
  0.223420394393
  0.332904209095
  0.346133332358
  0.241546692553
  0.054171008078
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Y3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Y3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.9482000000e5  6.4920000000e4  1.6020000000e4  4.6476000000e3  1.5289000000e3  5.4814000000e2  1.9193000000e2 73.852000000000 33.507000000000  9.948700000000  4.617900000000
  2.033400000000  0.829310000000
  0.072056609290  0.082103025330  0.147155074300  0.253732945900  0.409654572700  0.533897579500  0.656039606400  1.281031438000  1.111995554000  1.315979834000  2.272122103000
  1.050840331000  0.146724661000
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5601945150e2 96.044992880000 12.608840590000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279739 -0.000001668596
  0.000131163478 -0.000043089194 -0.000017184813
  0.000530468660 -0.000171734247 -0.000067801876
 -0.000311934856  0.000104662387  0.000042490546
  0.001402142696 -0.000441493104 -0.000170390370
  0.003678574112 -0.001145099455 -0.000435837289
  0.013499432991 -0.004243449845 -0.001623667900
  0.040090962270 -0.012868248498 -0.004926279484
  0.106443007776 -0.035723397117 -0.013777649427
  0.232114725422 -0.086622851619 -0.033781423349
  0.364365027940 -0.169078692004 -0.068069459763
  0.307543543426 -0.210079227316 -0.089066331689
  0.080427654154  0.026391206522  0.011772844131
 -0.002090806699  0.532909129376  0.332466654138
  0.003316850543  0.503028228347  0.469341135228
 -0.001364812870  0.088585090560 -0.176039064214
  0.000408126428 -0.001402686433 -0.723238262721
 -0.000326438595  0.002414344225 -0.378899082448
  0.000090396590 -0.000378791622 -0.009945488957
  0.000007941100 -0.000080710081  0.007358520493
   15    2
 84.870169360000  8.829374437000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436732 -0.000006206356
 -0.000246404135 -0.000093689204
 -0.001889031798 -0.000716233303
 -0.009965044714 -0.003823634688
 -0.039612642285 -0.015363287928
 -0.119509335385 -0.048153296138
 -0.263339194848 -0.110467076420
 -0.386824080443 -0.174972327762
 -0.293028581841 -0.095810692757
 -0.071892415301  0.248282059980
 -0.001973768095  0.516885800784
 -0.001440203307  0.353102637670
  0.000194389264  0.048700955672
 -0.000064473103 -0.008157362904
  0.000026998861  0.000639989213
    9    1
  2.253595924000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572632938
  0.005771640940
  0.029831315994
  0.099693986474
  0.223416861715
  0.332754535021
  0.346119039366
  0.240646137112
  0.056349448964
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Y3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Y3Ga5O12 with orthogonality orbitals
     3.0   2
* s-type functions
   20    1
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
 -0.000001668596
 -0.000017184813
 -0.000067801876
  0.000042490546
 -0.000170390370
 -0.000435837289
 -0.001623667900
 -0.004926279484
 -0.013777649427
 -0.033781423349
 -0.068069459763
 -0.089066331689
  0.011772844131
  0.332466654138
  0.469341135228
 -0.176039064214
 -0.723238262721
 -0.378899082448
 -0.009945488957
  0.007358520493
* p-type functions
   15    1
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000006206356
 -0.000093689204
 -0.000716233303
 -0.003823634688
 -0.015363287928
 -0.048153296138
 -0.110467076420
 -0.174972327762
 -0.095810692757
  0.248282059980
  0.516885800784
  0.353102637670
  0.048700955672
 -0.008157362904
  0.000639989213
* d-type functions
    9    1
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572632938
  0.005771640940
  0.029831315994
  0.099693986474
  0.223416861715
  0.332754535021
  0.346119039366
  0.240646137112
  0.056349448964
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.9482000000e5  6.4920000000e4  1.6020000000e4  4.6476000000e3  1.5289000000e3  5.4814000000e2  1.9193000000e2 73.852000000000 33.507000000000  9.948700000000  4.617900000000
  2.033400000000  0.829310000000
  0.072056609290  0.082103025330  0.147155074300  0.253732945900  0.409654572700  0.533897579500  0.656039606400  1.281031438000  1.111995554000  1.315979834000  2.272122103000
  1.050840331000  0.146724661000
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5601945150e2 96.044992880000 12.608840590000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279739 -0.000001668596
  0.000131163478 -0.000043089194 -0.000017184813
  0.000530468660 -0.000171734247 -0.000067801876
 -0.000311934856  0.000104662387  0.000042490546
  0.001402142696 -0.000441493104 -0.000170390370
  0.003678574112 -0.001145099455 -0.000435837289
  0.013499432991 -0.004243449845 -0.001623667900
  0.040090962270 -0.012868248498 -0.004926279484
  0.106443007776 -0.035723397117 -0.013777649427
  0.232114725422 -0.086622851619 -0.033781423349
  0.364365027940 -0.169078692004 -0.068069459763
  0.307543543426 -0.210079227316 -0.089066331689
  0.080427654154  0.026391206522  0.011772844131
 -0.002090806699  0.532909129376  0.332466654138
  0.003316850543  0.503028228347  0.469341135228
 -0.001364812870  0.088585090560 -0.176039064214
  0.000408126428 -0.001402686433 -0.723238262721
 -0.000326438595  0.002414344225 -0.378899082448
  0.000090396590 -0.000378791622 -0.009945488957
  0.000007941100 -0.000080710081  0.007358520493
   15    2
 84.870169360000  8.829374437000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436732 -0.000006206356
 -0.000246404135 -0.000093689204
 -0.001889031798 -0.000716233303
 -0.009965044714 -0.003823634688
 -0.039612642285 -0.015363287928
 -0.119509335385 -0.048153296138
 -0.263339194848 -0.110467076420
 -0.386824080443 -0.174972327762
 -0.293028581841 -0.095810692757
 -0.071892415301  0.248282059980
 -0.001973768095  0.516885800784
 -0.001440203307  0.353102637670
  0.000194389264  0.048700955672
 -0.000064473103 -0.008157362904
  0.000026998861  0.000639989213
    9    1
  2.253595924000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572632938
  0.005771640940
  0.029831315994
  0.099693986474
  0.223416861715
  0.332754535021
  0.346119039366
  0.240646137112
  0.056349448964
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Y3Ga5O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Y3Ga5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.5117583000e5  2.8086012000e4  5.0874730000e3  1.1826260000e3  3.3483733000e2  1.0623700000e2 36.417619000000 11.650330000000  3.609136000000  1.355821600000  0.528190000000
  0.074712000000
 -0.023629484580 -0.036649743540 -0.074297595630 -0.133903911300 -0.237091411600 -0.403514011400 -0.509902657600 -0.469234667300 -0.886858763500 -1.317400267000 -0.901372003600
 -0.006145482836
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.351210250000  1.993490644000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006202020921  0.001318439581
  0.045639048600  0.009598725386
  0.200055351353  0.046752135681
  0.473798959425  0.114654831525
  0.380727025688  0.098328801134
  0.028999506237  0.069402004627
  0.024663926717 -0.463763001189
 -0.005649115616 -0.640745756898
    6    1
  0.536644873500
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013144460965
 -0.085224776316
 -0.248908950964
 -0.435590092383
 -0.511780758213
  0.092125668336
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.7. Nd3Ga5O12 (NdGG)
********************************************************************************
*           E.8.7.a. Nd3Ga5O12
*             /Nd.EMB-AIMP.Seijo.0s.0s.ECP.Nd3Ga5O12-Nd.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Nd3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Nd3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Nd3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Nd3Ga5O12-O.
********************************************************************************
*   Structure:
*     H. Sawada. J. Solid State Chem. 132 (1997) 300-307. doi:10.1006/jssc.1997.7462
*     (Ia-3d; a=12.3829 A, x=-0.0289, =0.0542, z=0.1494)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Nd.EMB-AIMP.Seijo.0s.0s.ECP.Nd3Ga5O12-Nd.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Nd(3+) in Nd3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.3306000000e5  1.0456700000e5  3.0070000000e4  9.8128000000e3  3.4941000000e3  1.2828300000e3  4.8008000000e2  2.1395000000e2 73.822000000000 36.251000000000  7.500900000000
  5.277200000000  2.279880000000  0.966150000000  0.484820000000
  0.162776099700  0.158021056500  0.264354009500  0.421771089500  0.596579270400  0.740302889800  1.286481211000  1.698598629000  1.375735015000  3.970246998000  2.164489213000
  2.774812914000  1.060731141000  1.955038679000  0.370061789300
M2
  0
COREREP
 1.0
PROJOP
    3
   27    5
  3.2149558410e3  5.2895818200e2  1.1878914530e2 25.547976870000  3.725416710000
29095464000.00000000
 3547424800.00000000
  626604150.00000000
  132478650.00000000
   32558625.00000000
    9188110.90000000
    2931551.80000000
    1000868.80000000
     353897.74000000
     130371.14000000
      49842.27100000
      19521.55500000
       7851.00580000
       3273.06370000
       1410.20500000
        626.66120000
        287.53121000
        122.76019000
         56.63517700
         22.56243100
         11.58406900
          4.42749560
          2.21540570
          0.62284904
          0.28814518
        501.62524e-4
        213.50077e-4
  0.000001319003  0.000000489200  0.000000210400 -0.000000109824  0.000000040011
 -0.000005784773 -0.000002144625 -0.000000923015  0.000000481327 -0.000000175539
  0.000019913909  0.000007365803  0.000003182549 -0.000001650422  0.000000604964
 -0.000082180312 -0.000030063230 -0.000013233496  0.000006682071 -0.000002504693
 -0.000369100551 -0.000129701705 -0.000061026822  0.000027948753 -0.000011314213
 -0.000512852383 -0.000188129945 -0.000082669490  0.000041866896 -0.000015749977
 -0.001299845498 -0.000454294333 -0.000216616274  0.000097246661 -0.000039621139
 -0.002529118015 -0.000927743466 -0.000410797993  0.000206170953 -0.000079549009
 -0.005297084592 -0.001874916166 -0.000886823491  0.000402920216 -0.000156565383
 -0.010718459642 -0.003927829006 -0.001781294370  0.000869825166 -0.000370400945
 -0.022116519357 -0.008088349613 -0.003751288152  0.001772114912 -0.000711862409
 -0.046563139250 -0.017554878865 -0.008093212765  0.003876167256 -0.001594563613
 -0.097033209067 -0.037734045190 -0.017606896854  0.008397291713 -0.003431675440
 -0.189679804203 -0.080153983433 -0.037610334305  0.018053747943 -0.007398456972
 -0.312805158385 -0.150276376658 -0.072778359313  0.034981648848 -0.014353943777
 -0.335404678916 -0.211937066093 -0.105910665983  0.051751806927 -0.021264773765
 -0.154901179141 -0.053543439262 -0.027114969277  0.012552580680 -0.005207757911
 -0.013675428969  0.480952529120  0.381446372764 -0.203802108537  0.085822621285
  0.000822635999  0.580805273270  0.617382956595 -0.367649314023  0.158044221612
 -0.000250324881  0.108778468171 -0.387833374544  0.345568568885 -0.161577780824
  0.000182366722 -0.018355603838 -0.863248339209  1.028212095276 -0.526177957746
 -0.000081136465  0.006513406421 -0.126297062962 -0.553845002067  0.424130834700
  0.000036153129 -0.003269037839  0.019353697656 -0.889995706866  0.849165682156
 -0.000012188704  0.001057801474 -0.004982780346 -0.054622481189 -0.852651698900
  0.000006453450 -0.000520091431  0.002429652324  0.012367681720 -0.554568117534
 -0.000001662390  0.000135486928 -0.000597401998 -0.002022931405  0.033136171985
  0.000000771945 -0.000065267351  0.000285790575  0.000949754097 -0.010091765657
   23    4
  4.7328678410e2  1.0073920770e2 19.383336840000  1.948199200000
   48217378.00000000
    7261355.30000000
    1507340.10000000
     382356.30000000
     113813.77000000
      38195.06100000
      14131.43800000
       5704.22420000
       2478.18890000
       1142.28550000
        552.55985000
        278.45795000
        145.26851000
         77.53668500
         41.63418500
         22.36848000
         12.18950400
          6.53777260
          3.39402190
          1.72950410
          0.75379370
          0.33887829
          0.13960772
  0.000001216696  0.000000607190 -0.000000301555 -0.000000039836
 -0.000014240022 -0.000006980540  0.000003332801 -0.000000530563
 -0.000037751253 -0.000018086839  0.000008186947 -0.000004849790
 -0.000107403437 -0.000052717199  0.000025132457 -0.000003814384
 -0.000293532624 -0.000142375444  0.000066399841 -0.000029948047
 -0.000811793811 -0.000396263928  0.000185989030 -0.000067460877
 -0.002290416712 -0.001121162619  0.000526109839 -0.000203807318
 -0.006513863741 -0.003208762523  0.001507238546 -0.000570017822
 -0.018354908412 -0.009134078392  0.004303224294 -0.001654675704
 -0.049266007943 -0.024972171720  0.011800315334 -0.004473442959
 -0.117955426283 -0.061715655497  0.029401957720 -0.011345978561
 -0.229905370434 -0.125893352137  0.060506737613 -0.022934496108
 -0.329834741033 -0.190243021909  0.092930063132 -0.036387930511
 -0.294305684885 -0.144461456161  0.065832186369 -0.023448189364
 -0.126596608979  0.132097331131 -0.097901286619  0.037416319978
 -0.016848620393  0.477866956132 -0.352489179774  0.154502951956
 -0.000891450560  0.414535087954 -0.309245767001  0.114695487281
  0.000302004686  0.112711201001  0.270433500199 -0.138007178869
 -0.000033207631  0.006931215400  0.642435356279 -0.428279736277
  0.000070675124  0.000678514571  0.308671412160 -0.101941092728
 -0.000022863590 -0.000123907868  0.026005184706  0.528218463042
  0.000009354565  0.000048536548 -0.000198742414  0.631598495590
 -0.000002376314 -0.000022198287 -0.000393711510  0.008388512648
   15    2
 75.297458450000 10.276753970000
      12677.91900000
       3346.86280000
       1219.56180000
        523.06807000
        247.31472000
        124.13536000
         64.96501300
         34.76094300
         18.90510400
         10.33393100
          5.57094170
          2.95199050
          1.53283800
          0.75575620
          0.30598871
 -0.000051672405 -0.000024069111
 -0.000382904040 -0.000178922704
 -0.002113593538 -0.000989032774
 -0.009384501509 -0.004420752705
 -0.033341802120 -0.015812521994
 -0.094193487637 -0.045416593549
 -0.204085013848 -0.099374738770
 -0.320740009779 -0.152674560685
 -0.332563072788 -0.133422057363
 -0.183868368366  0.071638340463
 -0.042841311446  0.355727184856
 -0.002576168720  0.437450713103
 -0.000212936629  0.237764872841
  0.000041845480  0.050630130948
 -0.000013772123 -0.001706478868
   10    1    3
 -0.431332341900
        379.59709000
        131.09244000
         56.14306400
         26.35066300
         12.76964700
          6.24667920
          2.97097530
          1.34916720
          0.56686572
          0.20819149
  0.000338642926
  0.003006821772
  0.015186755210
  0.050579300098
  0.130020771599
  0.241620789169
  0.323091957489
  0.325666727947
  0.241044358634
  0.141584909530
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Nd3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gao(3+) in Nd3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0093000000e5  6.6683000000e4  1.6604000000e4  4.8467000000e3  1.5985000000e3  5.7443000000e2  2.0257000000e2 77.182000000000 34.944000000000 10.440400000000  4.807400000000
  2.120500000000  0.875270000000
  0.071314487920  0.080455818580  0.143576696000  0.247158985000  0.400672074700  0.528798278900  0.637658512500  1.245626077000  1.164322431000  1.223497809000  2.302616791000
  1.122018197000  0.165617174600
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5587897430e2 95.904172910000 12.475376820000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491980 -0.000004279719 -0.000001668532
  0.000131163491 -0.000043088995 -0.000017183704
  0.000530468708 -0.000171733446 -0.000067799063
 -0.000311934835  0.000104662085  0.000042494618
  0.001402143074 -0.000441489519 -0.000170368905
  0.003678575074 -0.001145092647 -0.000435721108
  0.013499437944 -0.004243406257 -0.001623430737
  0.040090972131 -0.012868184806 -0.004924944241
  0.106443056103 -0.035722991177 -0.013775931167
  0.232114794332 -0.086622565276 -0.033771091340
  0.364365329446 -0.169076333942 -0.068064855827
  0.307543424599 -0.210080249317 -0.089022500890
  0.080427356698  0.026400731537  0.011705853939
 -0.002091267432  0.532881489522  0.332536025480
  0.003317607058  0.503044925839  0.468860516602
 -0.001365780321  0.088561982819 -0.175140947651
  0.000409420405 -0.001340085544 -0.723922542337
 -0.000327515768  0.002363049353 -0.378407760586
  0.000091013003 -0.000347742481 -0.010630175238
  0.000007817477 -0.000086748309  0.007603903186
   15    2
 84.729416510000  8.696915906000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436628 -0.000006204450
 -0.000246401902 -0.000093676645
 -0.001889019294 -0.000716027092
 -0.009964957200 -0.003823080836
 -0.039612389257 -0.015358839421
 -0.119508328055 -0.048146603768
 -0.263337626361 -0.110430494929
 -0.386816309952 -0.174958468121
 -0.293028754535 -0.095727819119
 -0.071902702901  0.247992472122
 -0.001984947767  0.516936200658
 -0.001435057095  0.353128040925
  0.000188653872  0.049178558698
 -0.000059519423 -0.008926480275
  0.000025633148  0.000725499582
    9    1
  2.120417816000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572553729
  0.005775405930
  0.029830409627
  0.099758718853
  0.223365947298
  0.333143720744
  0.345822909984
  0.242852208903
  0.051909625889
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Nd3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Nd3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0126000000e5  6.6684000000e4  1.6590000000e4  4.8422000000e3  1.5969000000e3  5.7374000000e2  2.0222000000e2 77.044000000000 34.877000000000 10.401900000000  4.787500000000
  2.105800000000  0.859060000000
  0.071289128280  0.080517659600  0.143678327400  0.247277572900  0.400907902100  0.529023933700  0.638475854800  1.247571936000  1.162220286000  1.232227904000  2.304177620000
  1.114422983000  0.161542225800
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5611539200e2 96.141187510000 12.705611580000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279736 -0.000001668812
  0.000131163478 -0.000043089136 -0.000017187921
  0.000530468660 -0.000171734088 -0.000067812468
 -0.000311934850  0.000104662427  0.000042498970
  0.001402142676 -0.000441492868 -0.000170402558
  0.003678574250 -0.001145095288 -0.000435893508
  0.013499432587 -0.004243450775 -0.001623692927
  0.040090964174 -0.012868194620 -0.004927038889
  0.106443002309 -0.035723435790 -0.013777448591
  0.232114743557 -0.086622378194 -0.033787946612
  0.364364997222 -0.169079259322 -0.068063628688
  0.307543632831 -0.210076596431 -0.089101738065
  0.080427418051  0.026385729975  0.011850197801
 -0.002090380557  0.532918978220  0.332308512425
  0.003316237756  0.503003906305  0.469732110849
 -0.001363920953  0.088627819847 -0.176716765736
  0.000407059283 -0.001451201456 -0.722143821888
 -0.000325602141  0.002457024277 -0.380362754753
  0.000089609548 -0.000422412202 -0.008358060186
  0.000008165445 -0.000068440220  0.006969250935
   15    2
 84.966386490000  8.927949987000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436672 -0.000006206571
 -0.000246403405 -0.000093686513
 -0.001889025022 -0.000716252884
 -0.009965014144 -0.003823537283
 -0.039612495163 -0.015363691259
 -0.119508956687 -0.048151801160
 -0.263338120145 -0.110470967532
 -0.386822654212 -0.174960504405
 -0.293027779212 -0.095835435370
 -0.071897229056  0.248301765556
 -0.001974535148  0.516783804896
 -0.001441575398  0.353363107320
  0.000194466598  0.048702288297
 -0.000059192805 -0.008934570679
  0.000024950417  0.000933381248
    9    1
  2.352493349000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572560726
  0.005773587737
  0.029829401268
  0.099727837696
  0.223380238937
  0.332965709071
  0.345872458283
  0.241723052471
  0.054410815992
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Nd3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Nd3Ga5O12 with orthogonality functions
     3.0   2
* s-type functions
   20    1
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
 -0.000001668812
 -0.000017187921
 -0.000067812468
  0.000042498970
 -0.000170402558
 -0.000435893508
 -0.001623692927
 -0.004927038889
 -0.013777448591
 -0.033787946612
 -0.068063628688
 -0.089101738065
  0.011850197801
  0.332308512425
  0.469732110849
 -0.176716765736
 -0.722143821888
 -0.380362754753
 -0.008358060186
  0.006969250935
* p-type functions
   15    1
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000006206571
 -0.000093686513
 -0.000716252884
 -0.003823537283
 -0.015363691259
 -0.048151801160
 -0.110470967532
 -0.174960504405
 -0.095835435370
  0.248301765556
  0.516783804896
  0.353363107320
  0.048702288297
 -0.008934570679
  0.000933381248
* d-type functions
    9    1
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572560726
  0.005773587737
  0.029829401268
  0.099727837696
  0.223380238937
  0.332965709071
  0.345872458283
  0.241723052471
  0.054410815992
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0126000000e5  6.6684000000e4  1.6590000000e4  4.8422000000e3  1.5969000000e3  5.7374000000e2  2.0222000000e2 77.044000000000 34.877000000000 10.401900000000  4.787500000000
  2.105800000000  0.859060000000
  0.071289128280  0.080517659600  0.143678327400  0.247277572900  0.400907902100  0.529023933700  0.638475854800  1.247571936000  1.162220286000  1.232227904000  2.304177620000
  1.114422983000  0.161542225800
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5611539200e2 96.141187510000 12.705611580000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279736 -0.000001668812
  0.000131163478 -0.000043089136 -0.000017187921
  0.000530468660 -0.000171734088 -0.000067812468
 -0.000311934850  0.000104662427  0.000042498970
  0.001402142676 -0.000441492868 -0.000170402558
  0.003678574250 -0.001145095288 -0.000435893508
  0.013499432587 -0.004243450775 -0.001623692927
  0.040090964174 -0.012868194620 -0.004927038889
  0.106443002309 -0.035723435790 -0.013777448591
  0.232114743557 -0.086622378194 -0.033787946612
  0.364364997222 -0.169079259322 -0.068063628688
  0.307543632831 -0.210076596431 -0.089101738065
  0.080427418051  0.026385729975  0.011850197801
 -0.002090380557  0.532918978220  0.332308512425
  0.003316237756  0.503003906305  0.469732110849
 -0.001363920953  0.088627819847 -0.176716765736
  0.000407059283 -0.001451201456 -0.722143821888
 -0.000325602141  0.002457024277 -0.380362754753
  0.000089609548 -0.000422412202 -0.008358060186
  0.000008165445 -0.000068440220  0.006969250935
   15    2
 84.966386490000  8.927949987000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436672 -0.000006206571
 -0.000246403405 -0.000093686513
 -0.001889025022 -0.000716252884
 -0.009965014144 -0.003823537283
 -0.039612495163 -0.015363691259
 -0.119508956687 -0.048151801160
 -0.263338120145 -0.110470967532
 -0.386822654212 -0.174960504405
 -0.293027779212 -0.095835435370
 -0.071897229056  0.248301765556
 -0.001974535148  0.516783804896
 -0.001441575398  0.353363107320
  0.000194466598  0.048702288297
 -0.000059192805 -0.008934570679
  0.000024950417  0.000933381248
    9    1
  2.352493349000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572560726
  0.005773587737
  0.029829401268
  0.099727837696
  0.223380238937
  0.332965709071
  0.345872458283
  0.241723052471
  0.054410815992
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Nd3Ga5O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Nd3Ga5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021717342040 -0.031819128490 -0.065269418430 -0.121663472100 -0.218463821900 -0.383354847800 -0.510360184200 -0.457072488000 -0.759744690700 -1.288890520000 -1.068589412000
 -0.073054674220
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.432412240000  2.063656764000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006202144474  0.001318261060
  0.045639878668  0.009590427532
  0.200060174921  0.046771073105
  0.473807404518  0.114249923254
  0.380701266557  0.096988508188
  0.029025743458  0.070583354286
  0.024609878467 -0.462140606495
 -0.005612811260 -0.642020315126
    6    1
  0.607315285100
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013143849379
 -0.084876894372
 -0.249613402979
 -0.430441724744
 -0.517260493518
  0.091973916247
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.8. Sm3Ga5O12 (SmGG)
********************************************************************************
*           E.8.8.a. Sm3Ga5O12
*             /Sm.EMB-AIMP.Seijo.0s.0s.ECP.Sm3Ga5O12-Sm.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Sm3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Sm3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Sm3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Sm3Ga5O12-O.
********************************************************************************
*   Structure:
*     H. Sawada. J. Solid State Chem. 132 (1997) 300-307. doi:10.1006/jssc.1997.7462
*     (Ia-3d; a=12.4361 A, x=-0.0292, =0.0530, z=0.1490)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Sm.EMB-AIMP.Seijo.0s.0s.ECP.Sm3Ga5O12-Sm.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Sm(3+) in Sm3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.1245000000e5  1.0307100000e5  3.0099000000e4  9.9290000000e3  3.5741000000e3  1.3262000000e3  5.0522000000e2  2.2800000000e2 79.079000000000 39.424000000000  8.022900000000
  5.222000000000  2.188280000000  1.008760000000  0.510780000000
  0.173768860800  0.165243711800  0.275393834400  0.434875040300  0.604410187900  0.750693101500  1.312026400000  1.685904885000  1.417268054000  3.983870959000  2.938736874000
  2.490270704000  1.188673352000  1.893736018000  0.351794674200
M2
  0
COREREP
 1.0
PROJOP
    3
   27    5
  3.4555974180e3  5.7394970300e2  1.2989086930e2 27.807542640000  3.912288395000
41998563000.00000000
 4594105500.00000000
  753039310.00000000
  157767800.00000000
   39364524.00000000
   11131390.00000000
    3423497.40000000
    1127469.90000000
     393826.72000000
     145651.22000000
      56081.15100000
      22223.64100000
       9070.96660000
       3800.64950000
       1630.10570000
        719.03282000
        327.62992000
        135.74405000
         62.19013000
         24.51468900
         12.66204700
          4.85931730
          2.42207560
          0.67732450
          0.30935797
        527.79368e-4
        222.46041e-4
  0.000000763261 -0.000000292854 -0.000000122223  0.000000066904 -0.000000020487
 -0.000003487580  0.000001337520  0.000000558634 -0.000000305497  0.000000093759
  0.000012578125 -0.000004810194 -0.000002018159  0.000001097121 -0.000000340848
 -0.000048458462  0.000018275821  0.000007838884 -0.000004138630  0.000001359267
 -0.000393480092  0.000139314980  0.000065894247 -0.000030464416  0.000012555432
 -0.000506352797  0.000187642549  0.000082936244 -0.000042086151  0.000014913956
 -0.001352383595  0.000476354260  0.000228055060 -0.000103694084  0.000043529610
 -0.002670882080  0.000988573066  0.000440943433 -0.000221410736  0.000081374511
 -0.005451968496  0.001941793367  0.000924890994 -0.000423444644  0.000169199926
 -0.010843958230  0.004013079409  0.001829114286 -0.000898671554  0.000373567719
 -0.021977898318  0.008093142674  0.003778729376 -0.001795000989  0.000718854463
 -0.044922234454  0.017081540081  0.007919029991 -0.003816814066  0.001554343647
 -0.091725230904  0.035815086799  0.016811726547 -0.008064142755  0.003268818170
 -0.180056581983  0.076243069244  0.035951005670 -0.017360017645  0.007051874483
 -0.304062937067  0.144564853118  0.070271779568 -0.033963563916  0.013815961966
 -0.341688335251  0.212264576240  0.106293113435 -0.052205587073  0.021264830634
 -0.172760526937  0.071446868893  0.036907900800 -0.017519853628  0.007190726095
 -0.017949701075 -0.468904215018 -0.373099544420  0.200626863191 -0.083770516425
  0.001838146517 -0.593722772046 -0.630296527834  0.377841227834 -0.161063482995
 -0.000813234035 -0.113680855000  0.384686850876 -0.352081079188  0.163795576702
  0.000544047273  0.020376371035  0.864869876875 -1.032714273984  0.524098484188
 -0.000253366667 -0.007169727732  0.126302774152  0.567319952310 -0.432082853360
  0.000123786088  0.003533595163 -0.018897544758  0.883209853314 -0.830217473832
 -0.000041483253 -0.001125377912  0.004814123818  0.053475712740  0.845473000629
  0.000020928911  0.000547265038 -0.002315165409 -0.012021902007  0.551094051023
 -0.000005438391 -0.000142268473  0.000567965300  0.002065386594 -0.023649466705
  0.000002589816  0.000068628753 -0.000272102670 -0.000977719647  0.005617144608
   23    4
  5.1263143670e2  1.1019133880e2 21.079806780000  2.005756071000
   51833132.00000000
    7387198.90000000
    1527739.90000000
     389079.12000000
     115150.05000000
      38447.97900000
      14216.70900000
       5732.23630000
       2484.36550000
       1142.64870000
        552.73574000
        278.63778000
        145.24812000
         77.64623500
         41.97587600
         22.71782700
         12.41312400
          6.67716920
          3.49020430
          1.78867760
          0.80913759
          0.36603668
          0.15134571
 -0.000000881239  0.000000422442 -0.000000245048  0.000000021302
  0.000016625991 -0.000008091487  0.000004008065 -0.000001091705
  0.000042850283 -0.000021084464  0.000009232904 -0.000004135504
  0.000122694767 -0.000059813396  0.000029606168 -0.000007652191
  0.000335610991 -0.000164823365  0.000076737761 -0.000031655764
  0.000926233354 -0.000455521844  0.000215829514 -0.000078980740
  0.002596044764 -0.001282025156  0.000605531272 -0.000229780592
  0.007362527743 -0.003660627409  0.001732661925 -0.000647966976
  0.020672704939 -0.010387515016  0.004929643995 -0.001864885738
  0.054983372586 -0.028192420675  0.013429859460 -0.005029974813
  0.129045829509 -0.068366531035  0.032837040940 -0.012469595853
  0.245301814761 -0.136352372490  0.066145143207 -0.024788222642
  0.336437134551 -0.195867551040  0.096421508424 -0.037114713676
  0.276622788172 -0.123873435736  0.054242352153 -0.018735775998
  0.107072323635  0.176339474627 -0.127669712453  0.049265403768
  0.012477129617  0.498251029610 -0.378755646478  0.163126847519
  0.000621534973  0.378837792867 -0.262164254201  0.092095158124
 -0.000266831265  0.089296003040  0.340216449113 -0.174554239898
  0.000018963057  0.005071410045  0.627149494267 -0.414504383673
 -0.000054786624  0.000512792053  0.264338503497 -0.060356645100
  0.000018246194 -0.000069730330  0.020604898866  0.518881916644
 -0.000007014644  0.000025789633  0.000567735215  0.614247383229
  0.000001749341 -0.000013118504 -0.000392479347  0.028771355082
   15    2
 83.017900730000 11.280967360000
      12216.87000000
       3315.63610000
       1219.37600000
        522.94735000
        247.25139000
        124.15130000
         64.98098000
         34.75601200
         18.92465200
         10.32849300
          5.56716760
          2.95377670
          1.52127920
          0.74548492
          0.36712920
 -0.000064567643  0.000030413406
 -0.000455925478  0.000215755880
 -0.002497013598  0.001181950966
 -0.011004826728  0.005253481239
 -0.038466512513  0.018476511352
 -0.106396573932  0.052098502449
 -0.223043325302  0.109776183448
 -0.334653663289  0.160415745640
 -0.319605613170  0.116377766839
 -0.156508080326 -0.121009829507
 -0.030532540789 -0.388245960099
 -0.001734238750 -0.417706076508
 -0.000149385475 -0.199661715658
 -0.000010804054 -0.034235305275
 -0.000010136279 -0.001634517488
   10    1    4
 -0.178373622500
        377.73288000
        130.12154000
         56.17466400
         26.35374500
         12.80968900
          6.27136850
          2.97700120
          1.35048760
          0.56805858
          0.21060250
 -0.000467664747
 -0.004036766756
 -0.019577467957
 -0.063627020170
 -0.155672059137
 -0.269758534110
 -0.336535276582
 -0.309029740917
 -0.206832144329
 -0.090162870295
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Sm3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gao(3+) in Sm3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0113000000e5  6.6791000000e4  1.6631000000e4  4.8556000000e3  1.6019000000e3  5.7569000000e2  2.0305000000e2 77.324000000000 35.002000000000 10.456200000000  4.808900000000
  2.116700000000  0.864430000000
  0.071272135400  0.080364255020  0.143458225900  0.246829073400  0.400209137400  0.528605801500  0.636969978800  1.244215270000  1.166409865000  1.221919136000  2.306220447000
  1.123250113000  0.163609894600
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5588218030e2 95.907220790000 12.477509320000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491980 -0.000004279724 -0.000001668321
  0.000131163490 -0.000043089071 -0.000017180674
  0.000530468705 -0.000171733685 -0.000067788629
 -0.000311934840  0.000104662148  0.000042485268
  0.001402143083 -0.000441489723 -0.000170361509
  0.003678574905 -0.001145096577 -0.000435680221
  0.013499438221 -0.004243403971 -0.001623471604
  0.040090969854 -0.012868237006 -0.004924338616
  0.106443060212 -0.035722938819 -0.013776727667
  0.232114773339 -0.086623031132 -0.033765527972
  0.364365356978 -0.169075680033 -0.068073992679
  0.307543329823 -0.210082919159 -0.088988358190
  0.080427609236  0.026406419383  0.011623498266
 -0.002091693044  0.532870729541  0.332719841821
  0.003318226523  0.503069631865  0.468464167141
 -0.001366676052  0.088520077363 -0.174415197404
  0.000410476963 -0.001291440405 -0.725136586372
 -0.000328321078  0.002321481249 -0.376974869398
  0.000091609618 -0.000314521512 -0.011847649548
  0.000007736566 -0.000091037106  0.007674716299
   15    2
 84.732460860000  8.697981773000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
  0.000016436669 -0.000006204611
  0.000246402459 -0.000093675541
  0.001889023935 -0.000716042646
  0.009964980155 -0.003823045028
  0.039612489513 -0.015359180644
  0.119508609983 -0.048146102636
  0.263338341004 -0.110433985883
  0.386817554819 -0.174953937766
  0.293029100159 -0.095741948338
  0.071899799557  0.248046529924
  0.001983035802  0.516899278597
  0.001435714255  0.353137111072
 -0.000191386526  0.048746729833
  0.000067757100 -0.007669486021
 -0.000028889295  0.000268737002
    9    1
  2.121039826000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572777523
  0.005773507749
  0.029839153394
  0.099725215547
  0.223464532134
  0.332889029453
  0.346315226026
  0.241437143473
  0.053862957442
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Sm3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Sm3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0022000000e5  6.6539000000e4  1.6570000000e4  4.8350000000e3  1.5934000000e3  5.7225000000e2  2.0157000000e2 76.813000000000 34.765000000000 10.346700000000  4.761200000000
  2.090400000000  0.845740000000
  0.071386492890  0.080537547530  0.143723492700  0.247622483000  0.401519748100  0.529373638500  0.639705250000  1.250552537000  1.158884442000  1.244039314000  2.303681207000
  1.104457663000  0.157849518600
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5609338050e2 96.118916580000 12.683023400000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279739 -0.000001668566
  0.000131163478 -0.000043089194 -0.000017184378
  0.000530468661 -0.000171734236 -0.000067800424
 -0.000311934855  0.000104662388  0.000042489454
  0.001402142716 -0.000441492850 -0.000170389411
  0.003678574123 -0.001145099585 -0.000435827241
  0.013499433298 -0.004243445777 -0.001623677542
  0.040090962260 -0.012868252518 -0.004926138021
  0.106443011041 -0.035723353370 -0.013777831536
  0.232114724255 -0.086622910221 -0.033780123913
  0.364365049960 -0.169078371102 -0.068071547058
  0.307543515292 -0.210079785347 -0.089058337371
  0.080427693007  0.026392946110  0.011753824607
 -0.002090919339  0.532904895698  0.332507883379
  0.003317023709  0.503034124544  0.469244167147
 -0.001365054477  0.088575850092 -0.175848075790
  0.000408418547 -0.001389017797 -0.723520338453
 -0.000326664919  0.002402979903 -0.378625207603
  0.000090541365 -0.000371139691 -0.010148810413
  0.000007897874 -0.000082832424  0.007378684162
   15    2
 84.944096420000  8.903592020000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436727  0.000006206331
 -0.000246404027  0.000093687713
 -0.001889031115  0.000716229458
 -0.009965040417  0.003823576319
 -0.039612628308  0.015363203342
 -0.119509284858  0.048152516894
 -0.263339101138  0.110466674268
 -0.386823725817  0.174968233303
 -0.293028569772  0.095814261029
 -0.071893083831 -0.248284064540
 -0.001973938591 -0.516864098844
 -0.001440372320 -0.353147682363
  0.000195000295 -0.048586659408
 -0.000065944892  0.007915862139
  0.000027822457 -0.000532398050
    9    1
  2.327685828000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572675285
  0.005771668770
  0.029833239119
  0.099694308444
  0.223433889924
  0.332743966589
  0.346193550924
  0.240539274635
  0.056356740313
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Sm3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Sm3Ga5O12 with orthogonality orbitals
     3.0   2
* s-type functions
   20    1
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
 -0.000001668566
 -0.000017184378
 -0.000067800424
  0.000042489454
 -0.000170389411
 -0.000435827241
 -0.001623677542
 -0.004926138021
 -0.013777831536
 -0.033780123913
 -0.068071547058
 -0.089058337371
  0.011753824607
  0.332507883379
  0.469244167147
 -0.175848075790
 -0.723520338453
 -0.378625207603
 -0.010148810413
  0.007378684162
* p-type functions
   15    1
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
  0.000006206331
  0.000093687713
  0.000716229458
  0.003823576319
  0.015363203342
  0.048152516894
  0.110466674268
  0.174968233303
  0.095814261029
 -0.248284064540
 -0.516864098844
 -0.353147682363
 -0.048586659408
  0.007915862139
 -0.000532398050
* d-type functions
    9    1
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572675285
  0.005771668770
  0.029833239119
  0.099694308444
  0.223433889924
  0.332743966589
  0.346193550924
  0.240539274635
  0.056356740313
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0022000000e5  6.6539000000e4  1.6570000000e4  4.8350000000e3  1.5934000000e3  5.7225000000e2  2.0157000000e2 76.813000000000 34.765000000000 10.346700000000  4.761200000000
  2.090400000000  0.845740000000
  0.071386492890  0.080537547530  0.143723492700  0.247622483000  0.401519748100  0.529373638500  0.639705250000  1.250552537000  1.158884442000  1.244039314000  2.303681207000
  1.104457663000  0.157849518600
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5609338050e2 96.118916580000 12.683023400000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279739 -0.000001668566
  0.000131163478 -0.000043089194 -0.000017184378
  0.000530468661 -0.000171734236 -0.000067800424
 -0.000311934855  0.000104662388  0.000042489454
  0.001402142716 -0.000441492850 -0.000170389411
  0.003678574123 -0.001145099585 -0.000435827241
  0.013499433298 -0.004243445777 -0.001623677542
  0.040090962260 -0.012868252518 -0.004926138021
  0.106443011041 -0.035723353370 -0.013777831536
  0.232114724255 -0.086622910221 -0.033780123913
  0.364365049960 -0.169078371102 -0.068071547058
  0.307543515292 -0.210079785347 -0.089058337371
  0.080427693007  0.026392946110  0.011753824607
 -0.002090919339  0.532904895698  0.332507883379
  0.003317023709  0.503034124544  0.469244167147
 -0.001365054477  0.088575850092 -0.175848075790
  0.000408418547 -0.001389017797 -0.723520338453
 -0.000326664919  0.002402979903 -0.378625207603
  0.000090541365 -0.000371139691 -0.010148810413
  0.000007897874 -0.000082832424  0.007378684162
   15    2
 84.944096420000  8.903592020000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436727  0.000006206331
 -0.000246404027  0.000093687713
 -0.001889031115  0.000716229458
 -0.009965040417  0.003823576319
 -0.039612628308  0.015363203342
 -0.119509284858  0.048152516894
 -0.263339101138  0.110466674268
 -0.386823725817  0.174968233303
 -0.293028569772  0.095814261029
 -0.071893083831 -0.248284064540
 -0.001973938591 -0.516864098844
 -0.001440372320 -0.353147682363
  0.000195000295 -0.048586659408
 -0.000065944892  0.007915862139
  0.000027822457 -0.000532398050
    9    1
  2.327685828000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572675285
  0.005771668770
  0.029833239119
  0.099694308444
  0.223433889924
  0.332743966589
  0.346193550924
  0.240539274635
  0.056356740313
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Sm3Ga5O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Sm3Ga5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021721111780 -0.031829730710 -0.065273476740 -0.121711927200 -0.218465482200 -0.383505555500 -0.510343679800 -0.457523743700 -0.759532180500 -1.292060011000 -1.065966872000
 -0.072066229170
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.354618740000  1.988285347000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006202110247  0.001318716989
  0.045639572293  0.009596856244
  0.200059006256  0.046776324467
  0.473801507788  0.114464131728
  0.380698729628  0.097611019544
  0.029028348930  0.070085994175
  0.024636410493 -0.463296538822
 -0.005634708469 -0.641066182561
    6    1
  0.532557018100
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013143398227
 -0.084965587016
 -0.249414096112
 -0.431851185225
 -0.515685043609
  0.091802278357
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.9. Gd3Ga5O12 (GdGG)
********************************************************************************
*           E.8.9.a. Gd3Ga5O12
*             /Gd.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Ga5O12-Gd.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Gd3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Ga5O12-O.
********************************************************************************
*   Structure:
*     H. Sawada. J. Solid State Chem. 132 (1997) 300-307. doi:10.1006/jssc.1997.7462
*     (Ia-3d; a=12.3829 A, x=-0.0289, =0.0542, z=0.1494)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Gd.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Ga5O12-Gd.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gd(3+) in Gd3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.2368000000e5  1.0678000000e5  3.1494000000e4  1.0460300000e4  3.7790000000e3  1.4021500000e3  5.3655000000e2  2.4297000000e2 84.137000000000 42.613000000000  8.730000000000
  5.350700000000  2.229080000000  1.088570000000  0.577100000000
  0.180260141500  0.169363910700  0.280966536000  0.441479732300  0.612104661100  0.765246158500  1.341062190000  1.687638160000  1.478671739000  3.982487658000  3.343705611000
  2.542867050000  1.293743782000  1.787457479000  0.426278525300
M2
  0
COREREP
 1.0
PROJOP
    3
   27    5
  3.7065017400e3  6.2115357890e2  1.4150006820e2 30.149570670000  4.140135021000
37001721000.00000000
 4423337400.00000000
  736627460.00000000
  157466940.00000000
   39988049.00000000
   11295642.00000000
    3442911.20000000
    1134401.60000000
     396957.84000000
     146564.47000000
      56594.52400000
      22562.05300000
       9206.73320000
       3830.10310000
       1630.51860000
        716.19740000
        325.13703000
        141.13836000
         65.40259600
         26.42438900
         13.67116900
          5.37568620
          2.67915040
          0.76814741
          0.35394983
        628.75056e-4
        255.54319e-4
 -0.000000917332 -0.000000349079 -0.000000146245  0.000000080682 -0.000000028023
  0.000003986801  0.000001516565  0.000000635878 -0.000000350433  0.000000121857
 -0.000014205728 -0.000005391781 -0.000002271837  0.000001243948 -0.000000435363
  0.000054650713  0.000020522916  0.000008850698 -0.000004699154  0.000001693751
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   23    4
  5.5362148320e2  1.2000774520e2 22.822134520000  2.100363901000
   52152768.00000000
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   15    2
 91.013956920000 12.309464360000
      19762.54400000
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  0.000044569559 -0.001196367277
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   10    1    7
  0.124864952000
        383.57372000
        131.68830000
         56.21669300
         26.30729400
         12.94802400
          6.44450780
          3.13348510
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  0.174926107089
  0.280360104429
  0.328065749072
  0.286482854392
  0.183434850056
  0.080761411289
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gao(3+) in Gd3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0124000000e5  6.6740000000e4  1.6610000000e4  4.8493000000e3  1.6000000000e3  5.7496000000e2  2.0277000000e2 77.242000000000 34.968000000000 10.443600000000  4.803500000000
  2.113500000000  0.860880000000
  0.071277809020  0.080441106930  0.143577694500  0.246972825900  0.400428995900  0.528750585100  0.637325017400  1.245038914000  1.165158876000  1.224297309000  2.306006172000
  1.121409518000  0.162648509700
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5594059140e2 95.965577210000 12.535818950000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
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   15    2
 84.790810940000  8.755808575000
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 -0.386817830210 -0.174952224606
 -0.293029221807 -0.095745372120
 -0.071898999401  0.248059925943
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 -0.001435817531  0.353140746615
  0.000192129020  0.048615777373
 -0.000070272056 -0.007284987537
  0.000029913247  0.000140270237
    9    1
  2.178706404000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
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 -0.000572850430
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 -0.099716034300
 -0.223496262835
 -0.332815421019
 -0.346468226952
 -0.241020063847
 -0.054407517422
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Gd3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0064000000e5  6.6594000000e4  1.6564000000e4  4.8337000000e3  1.5942000000e3  5.7269000000e2  2.0176000000e2 76.876000000000 34.787000000000 10.351600000000  4.761800000000
  2.088900000000  0.842130000000
  0.071340110650  0.080562909270  0.143830880600  0.247496392800  0.401210814400  0.529265504700  0.639306910000  1.249962072000  1.159903695000  1.243396571000  2.304891587000
  1.104850893000  0.157314993300
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5602080340e2 96.046269220000 12.610224730000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
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  0.000131163478 -0.000043089209 -0.000017183397
  0.000530468661 -0.000171734273 -0.000067797086
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  0.001402142718 -0.000441492923 -0.000170385180
  0.003678574073 -0.001145100795 -0.000435809362
  0.013499433366 -0.004243445691 -0.001623663421
  0.040090961620 -0.012868267996 -0.004925900417
  0.106443012195 -0.035723344116 -0.013777829555
  0.232114718395 -0.086623044947 -0.033778119239
  0.364365055237 -0.169078219172 -0.068072915070
  0.307543491093 -0.210080522250 -0.089047859612
  0.080427763934  0.026394433869  0.011731703446
 -0.002091037695  0.532902248734  0.332551531538
  0.003317193040  0.503041002222  0.469130707039
 -0.001365303445  0.088563627636 -0.175655133948
  0.000408717325 -0.001375436104 -0.723834023142
 -0.000326902564  0.002390779998 -0.378179853448
  0.000090791701 -0.000357205958 -0.010658948867
  0.000007820944 -0.000087065816  0.007512457712
   15    2
 84.871435770000  8.830115563000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
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         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436746 -0.000006206281
 -0.000246404273 -0.000093688546
 -0.001889033299 -0.000716225083
 -0.009965050705 -0.003823607104
 -0.039612675725 -0.015363114920
 -0.119509411630 -0.048152982197
 -0.263339442660 -0.110465795959
 -0.386824231203 -0.174971710143
 -0.293028810354 -0.095807647458
 -0.071891548565  0.248281002756
 -0.001973549494  0.516894828466
 -0.001440034192  0.353066218618
  0.000195070256  0.048575960794
 -0.000067716190 -0.007640748435
  0.000028701448  0.000410368299
    9    1
  2.254110134000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572694702
  0.005771018176
  0.029833666242
  0.099683015087
  0.223444210081
  0.332675141162
  0.346269052619
  0.240179781900
  0.057019465961
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Gd3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Gd3Ga5O12 with orthogonality orbitals
     3.0   2
* s-type functions
   20    1
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
 -0.000001668498
 -0.000017183397
 -0.000067797086
  0.000042486836
 -0.000170385180
 -0.000435809362
 -0.001623663421
 -0.004925900417
 -0.013777829555
 -0.033778119239
 -0.068072915070
 -0.089047859612
  0.011731703446
  0.332551531538
  0.469130707039
 -0.175655133948
 -0.723834023142
 -0.378179853448
 -0.010658948867
  0.007512457712
* p-type functions
   15    1
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000006206281
 -0.000093688546
 -0.000716225083
 -0.003823607104
 -0.015363114920
 -0.048152982197
 -0.110465795959
 -0.174971710143
 -0.095807647458
  0.248281002756
  0.516894828466
  0.353066218618
  0.048575960794
 -0.007640748435
  0.000410368299
* d-type functions
    9    1
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572694702
  0.005771018176
  0.029833666242
  0.099683015087
  0.223444210081
  0.332675141162
  0.346269052619
  0.240179781900
  0.057019465961
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0064000000e5  6.6594000000e4  1.6564000000e4  4.8337000000e3  1.5942000000e3  5.7269000000e2  2.0176000000e2 76.876000000000 34.787000000000 10.351600000000  4.761800000000
  2.088900000000  0.842130000000
  0.071340110650  0.080562909270  0.143830880600  0.247496392800  0.401210814400  0.529265504700  0.639306910000  1.249962072000  1.159903695000  1.243396571000  2.304891587000
  1.104850893000  0.157314993300
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5602080340e2 96.046269220000 12.610224730000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279739 -0.000001668498
  0.000131163478 -0.000043089209 -0.000017183397
  0.000530468661 -0.000171734273 -0.000067797086
 -0.000311934857  0.000104662366  0.000042486836
  0.001402142718 -0.000441492923 -0.000170385180
  0.003678574073 -0.001145100795 -0.000435809362
  0.013499433366 -0.004243445691 -0.001623663421
  0.040090961620 -0.012868267996 -0.004925900417
  0.106443012195 -0.035723344116 -0.013777829555
  0.232114718395 -0.086623044947 -0.033778119239
  0.364365055237 -0.169078219172 -0.068072915070
  0.307543491093 -0.210080522250 -0.089047859612
  0.080427763934  0.026394433869  0.011731703446
 -0.002091037695  0.532902248734  0.332551531538
  0.003317193040  0.503041002222  0.469130707039
 -0.001365303445  0.088563627636 -0.175655133948
  0.000408717325 -0.001375436104 -0.723834023142
 -0.000326902564  0.002390779998 -0.378179853448
  0.000090791701 -0.000357205958 -0.010658948867
  0.000007820944 -0.000087065816  0.007512457712
   15    2
 84.871435770000  8.830115563000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436746 -0.000006206281
 -0.000246404273 -0.000093688546
 -0.001889033299 -0.000716225083
 -0.009965050705 -0.003823607104
 -0.039612675725 -0.015363114920
 -0.119509411630 -0.048152982197
 -0.263339442660 -0.110465795959
 -0.386824231203 -0.174971710143
 -0.293028810354 -0.095807647458
 -0.071891548565  0.248281002756
 -0.001973549494  0.516894828466
 -0.001440034192  0.353066218618
  0.000195070256  0.048575960794
 -0.000067716190 -0.007640748435
  0.000028701448  0.000410368299
    9    1
  2.254110134000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572694702
  0.005771018176
  0.029833666242
  0.099683015087
  0.223444210081
  0.332675141162
  0.346269052619
  0.240179781900
  0.057019465961
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Gd3Ga5O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Gd3Ga5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021721663560 -0.031832752970 -0.065271980860 -0.121727025800 -0.218455735200 -0.383553634500 -0.510309621900 -0.457691677200 -0.759290226600 -1.293071505000 -1.065370981000
 -0.071703195170
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.332493050000  1.967120963000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006202102945  0.001318639448
  0.045639539496  0.009596593505
  0.200058683107  0.046772425189
  0.473801738422  0.114473919873
  0.380702201460  0.097662328168
  0.029024814471  0.070029180685
  0.024637699146 -0.463271040192
 -0.005635456248 -0.641096267061
    6    1
  0.511614312800
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013141417677
 -0.085000414388
 -0.249280185655
 -0.432420889771
 -0.515006129272
  0.091511740895
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.10. Tb3Ga5O12 (TbGG)
********************************************************************************
*           E.8.10.a. Tb3Ga5O12
*             /Tb.EMB-AIMP.Seijo.0s.0s.ECP.Tb3Ga5O12-Tb.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Tb3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Tb3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Tb3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Tb3Ga5O12-O.
********************************************************************************
*   Structure:
*     H. Sawada. J. Solid State Chem. 132 (1997) 300-307. doi:10.1006/jssc.1997.7462
*     (Ia-3d; a=12.3474 A, x=-0.0282, =0.0547, z=0.1495
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Tb.EMB-AIMP.Seijo.0s.0s.ECP.Tb3Ga5O12-Tb.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Tb(3+) in Tb3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.2639000000e5  1.0802600000e5  3.2017000000e4  1.0656300000e4  3.8524000000e3  1.4323700000e3  5.5078000000e2  2.4995000000e2 86.332000000000 44.192000000000  9.124700000000
  5.440400000000  2.189080000000  1.082420000000  0.588470000000
  0.184132877000  0.171837436500  0.284768457800  0.446983065700  0.616929626100  0.771665431200  1.357757561000  1.686136670000  1.519718629000  3.968838079000  3.489449318000
  2.646186843000  1.428178822000  1.717180507000  0.376903335600
M2
  0
COREREP
 1.0
PROJOP
    3
   27    5
  3.8359498350e3  6.4567888800e2  1.4757304930e2 31.424055560000  4.339459658000
49360640000.00000000
 5926458300.00000000
 1008157400.00000000
  204930140.00000000
   49630464.00000000
   13544932.00000000
    4055933.90000000
    1298688.60000000
     439272.33000000
     157245.31000000
      59168.63000000
      23125.26100000
       9439.63580000
       4021.40970000
       1759.06050000
        786.87046000
        361.47966000
        151.76439000
         69.82561000
         27.83161200
         14.39973200
          5.53940690
          2.75073560
          0.76206539
          0.34217580
        577.36431e-4
        240.79136e-4
  0.000000155323  0.000000073099  0.000000020585 -0.000000019779  0.000000005922
 -0.000000670504 -0.000000315505 -0.000000088885  0.000000085362 -0.000000025589
  0.000002183195  0.000001027230  0.000000289482 -0.000000277935  0.000000083548
 -0.000006124162 -0.000002906400 -0.000000803848  0.000000790469 -0.000000237498
 -0.000435217139 -0.000156751209 -0.000074410563  0.000034750029 -0.000013651649
 -0.000549306643 -0.000204570127 -0.000091790111  0.000046729903 -0.000017744174
 -0.001441942689 -0.000517361908 -0.000248428130  0.000114031346 -0.000044864406
 -0.002949316455 -0.001098578281 -0.000496898983  0.000250352985 -0.000096595346
 -0.006078935114 -0.002205084416 -0.001053581935  0.000487708277 -0.000186081025
 -0.012256686703 -0.004582622752 -0.002112241640  0.001041560085 -0.000431191858
 -0.024708815836 -0.009244142731 -0.004348013478  0.002081469291 -0.000819998617
 -0.049923997534 -0.019270619328 -0.009016410185  0.004374510843 -0.001760310014
 -0.098211941412 -0.039062692122 -0.018504945385  0.008935437502 -0.003571619427
 -0.183913821212 -0.079391098271 -0.037793029962  0.018386419048 -0.007374301165
 -0.300782319986 -0.145613434784 -0.071502769624  0.034783136636 -0.013957886739
 -0.332966983932 -0.208310093297 -0.105196016523  0.052094020992 -0.020952781686
 -0.168505109603 -0.063679864920 -0.032250357389  0.015088150818 -0.006080701746
 -0.017800799216  0.467368691863  0.377383905444 -0.204696352152  0.084334783159
  0.001668700836  0.590639746387  0.631709397967 -0.383199109430  0.161456651739
 -0.000715656459  0.114502713109 -0.384666505865  0.363062947352 -0.167699886572
  0.000473253809 -0.019746845495 -0.868150782142  1.035882512423 -0.517151619109
 -0.000214967153  0.006844522388 -0.127120727534 -0.579601116541  0.433887465639
  0.000102213886 -0.003318881721  0.018832355578 -0.875614516123  0.807601504208
 -0.000033458304  0.001031954297 -0.004755325745 -0.053287984270 -0.826745385045
  0.000016841351 -0.000496056402  0.002259008214  0.012107511279 -0.559217854900
 -0.000004408654  0.000130103340 -0.000559480653 -0.002144582738  0.024143068559
  0.000002074633 -0.000062746576  0.000268425375  0.001024649933 -0.006006282231
   23    4
  5.7481042150e2  1.2512649690e2 23.781953680000  2.230075183000
   52333798.00000000
    7457206.10000000
    1537804.90000000
     390727.44000000
     115481.08000000
      38572.56500000
      14259.32800000
       5740.05790000
       2485.68970000
       1142.93970000
        552.53907000
        278.47833000
        145.29343000
         77.64929200
         41.84725100
         22.92884100
         12.59823000
          6.68866550
          3.49190360
          1.76786400
          0.81982907
          0.37009424
          0.15285821
 -0.000000177490  0.000000031598  0.000000099417  0.000000074416
  0.000020641806 -0.000009942551 -0.000005091957  0.000001241168
  0.000052559626 -0.000026792937 -0.000011488375  0.000005516016
  0.000151466059 -0.000073142931 -0.000037409450  0.000008671150
  0.000409760340 -0.000204713728 -0.000095357856  0.000039083106
  0.001125042271 -0.000558930233 -0.000267423669  0.000095326689
  0.003136005926 -0.001568157958 -0.000746145468  0.000277020968
  0.008836116721 -0.004449030829 -0.002123528331  0.000777360358
  0.024515438195 -0.012492562987 -0.005977725259  0.002209522035
  0.064185177502 -0.033434671708 -0.016072732671  0.005897354454
  0.146819581903 -0.079219692783 -0.038411763077  0.014249872766
  0.267305950019 -0.151635073287 -0.074363844556  0.027324038508
  0.340899121642 -0.200214760596 -0.099249497628  0.037280664937
  0.250435817667 -0.085510795271 -0.031509411702  0.009700331186
  0.080737093007  0.251508123063  0.181017916989 -0.069723961997
  0.006472714933  0.511679888976  0.404944176146 -0.170480105290
  0.000694121368  0.318539543857  0.163872384504 -0.045110749257
 -0.000389729083  0.059700991644 -0.452531967082  0.231622009456
  0.000094569851  0.001876903246 -0.587203002067  0.387617546956
 -0.000075434598  0.000676716559 -0.186147188505 -0.041612388358
  0.000030015531 -0.000181449165 -0.009794324671 -0.546306957440
 -0.000011354948  0.000071720260 -0.001300977340 -0.561377803112
  0.000002819031 -0.000025102451  0.000595579120 -0.005883320815
   15    2
 95.186781350000 12.903207270000
      15348.02100000
       3986.64090000
       1420.55450000
        596.17142000
        277.48593000
        137.68273000
         71.29713900
         37.81903000
         20.48249200
         11.12734000
          5.99598030
          3.21769170
          1.71166020
          0.87911028
          0.37772273
 -0.000058682958  0.000028012578
 -0.000431864066  0.000207261013
 -0.002436378772  0.001168808456
 -0.011036449904  0.005344434542
 -0.039436610697  0.019209957115
 -0.110946597314  0.055165680240
 -0.233918649979  0.116750402033
 -0.345464312037  0.167465479899
 -0.313355706015  0.104610237687
 -0.140632045844 -0.155337877983
 -0.024252287691 -0.402877193850
 -0.001567164522 -0.389271910741
 -0.000147435190 -0.179486586743
 -0.000063645531 -0.036793553763
 -0.000005298992 -0.001869524622
   10    1    7
  0.362424329000
        382.85976000
        131.39572000
         56.15113300
         26.28916300
         12.95412800
          6.45728240
          3.14445370
          1.46099850
          0.62713883
          0.23443126
  0.000667259444
  0.005785115172
  0.027449405099
  0.084073571410
  0.186075330388
  0.287348793145
  0.329197137542
  0.282350076748
  0.177678621367
  0.058183695830
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Tb3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gao(3+) in Tb3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0125000000e5  6.6735000000e4  1.6619000000e4  4.8528000000e3  1.6006000000e3  5.7517000000e2  2.0285000000e2 77.263000000000 34.979000000000 10.454400000000  4.812500000000
  2.122300000000  0.875230000000
  0.071283504760  0.080428860880  0.143469766900  0.246940702400  0.400444280200  0.528686686500  0.637294804600  1.244798794000  1.165468692000  1.220918735000  2.303635384000
  1.123829923000  0.166133197800
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5589807870e2 95.923302810000 12.494268250000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491980 -0.000004279719 -0.000001668549
  0.000131163491 -0.000043088996 -0.000017183953
  0.000530468706 -0.000171733452 -0.000067799902
 -0.000311934836  0.000104662074  0.000042495286
  0.001402143056 -0.000441489646 -0.000170369999
  0.003678575032 -0.001145092808 -0.000435725392
  0.013499437701 -0.004243408145 -0.001623434903
  0.040090971707 -0.012868185698 -0.004925001024
  0.106443053705 -0.035723009852 -0.013775939982
  0.232114791513 -0.086622561285 -0.033771567830
  0.364365314334 -0.169076453357 -0.068064595484
  0.307543432583 -0.210080115389 -0.089024961203
  0.080427364544  0.026400127746  0.011710783570
 -0.002091235227  0.532883020235  0.332527213436
  0.003317557084  0.503043451840  0.468889169644
 -0.001365715689  0.088564130903 -0.175195565158
  0.000409341719 -0.001343974591 -0.723868115704
 -0.000327460956  0.002365787862 -0.378434610684
  0.000091024774 -0.000346964386 -0.010686404203
  0.000007768461 -0.000089590241  0.007726273044
   15    2
 84.748539120000  8.715688720000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
  0.000016436632  0.000006204517
  0.000246401987  0.000093678025
  0.001889019766  0.000716035075
  0.009964960527  0.003823136395
  0.039612398682  0.015359012457
  0.119508365514  0.048147325755
  0.263337683659  0.110431697678
  0.386816622458  0.174961681043
  0.293028761823  0.095727381821
  0.071902265338 -0.247996645726
  0.001984555884 -0.516954632291
  0.001435109265 -0.353094164204
 -0.000188515595 -0.049218740451
  0.000059340106  0.008978110680
 -0.000025855757 -0.000686794925
    9    1
  2.139216285000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572534389
  0.005775196555
  0.029829392778
  0.099755176800
  0.223358897688
  0.333130341582
  0.345805816805
  0.242789538451
  0.052126931136
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Tb3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Tb3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0080000000e5  6.6646000000e4  1.6583000000e4  4.8411000000e3  1.5969000000e3  5.7372000000e2  2.0228000000e2 77.091000000000 34.898000000000 10.408200000000  4.789600000000
  2.106100000000  0.858440000000
  0.071322659840  0.080514669440  0.143708068000  0.247232602200  0.400896605200  0.528999324600  0.638035493200  1.246794681000  1.163057121000  1.231100856000  2.304872297000
  1.115129988000  0.161668967800
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5604859140e2 96.074410910000 12.638530610000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279736 -0.000001668827
  0.000131163478 -0.000043089139 -0.000017188149
  0.000530468657 -0.000171734101 -0.000067813223
 -0.000311934851  0.000104662418  0.000042499469
  0.001402142657 -0.000441493011 -0.000170403903
  0.003678574200 -0.001145095549 -0.000435898917
  0.013499432331 -0.004243452759 -0.001623701517
  0.040090963659 -0.012868196739 -0.004927106590
  0.106442999820 -0.035723454757 -0.013777497536
  0.232114739988 -0.086622384201 -0.033788492649
  0.364364981508 -0.169079373508 -0.068063589364
  0.307543639075 -0.210076510999 -0.089104313244
  0.080427432988  0.026385202529  0.011854837349
 -0.002090356197  0.532920398155  0.332301430370
  0.003316198104  0.503002845073  0.469761197983
 -0.001363869805  0.088629280353 -0.176772072927
  0.000406990892 -0.001454637538 -0.722090974075
 -0.000325546365  0.002459796679 -0.380396086923
  0.000089608200 -0.000422348432 -0.008381007385
  0.000008127870 -0.000070622937  0.007056156098
   15    2
 84.899601650000  8.860756063000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436677 -0.000006206639
 -0.000246403512 -0.000093687993
 -0.001889025617 -0.000716261141
 -0.009965018335 -0.003823596833
 -0.039612507167 -0.015363870486
 -0.119509004611 -0.048152577484
 -0.263338194232 -0.110472205988
 -0.386823029191 -0.174964015174
 -0.293027782548 -0.095834751572
 -0.071896696604  0.248306348501
 -0.001974064568  0.516803287862
 -0.001441696019  0.353327555435
  0.000194461334  0.048737950432
 -0.000059089244 -0.008978424726
  0.000025124098  0.000912924603
    9    1
  2.285357008000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572536489
  0.005773409981
  0.029828187177
  0.099724864704
  0.223371168969
  0.332956596746
  0.345843964387
  0.241675375592
  0.054619819139
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Tb3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Tb3Ga5O12 with orthogonality functions
     3.0   2
* s-type functions
   20    1
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
 -0.000001668827
 -0.000017188149
 -0.000067813223
  0.000042499469
 -0.000170403903
 -0.000435898917
 -0.001623701517
 -0.004927106590
 -0.013777497536
 -0.033788492649
 -0.068063589364
 -0.089104313244
  0.011854837349
  0.332301430370
  0.469761197983
 -0.176772072927
 -0.722090974075
 -0.380396086923
 -0.008381007385
  0.007056156098
* p-type functions
   15    1
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000006206639
 -0.000093687993
 -0.000716261141
 -0.003823596833
 -0.015363870486
 -0.048152577484
 -0.110472205988
 -0.174964015174
 -0.095834751572
  0.248306348501
  0.516803287862
  0.353327555435
  0.048737950432
 -0.008978424726
  0.000912924603
* d-type functions
    9    1
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572536489
  0.005773409981
  0.029828187177
  0.099724864704
  0.223371168969
  0.332956596746
  0.345843964387
  0.241675375592
  0.054619819139
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0080000000e5  6.6646000000e4  1.6583000000e4  4.8411000000e3  1.5969000000e3  5.7372000000e2  2.0228000000e2 77.091000000000 34.898000000000 10.408200000000  4.789600000000
  2.106100000000  0.858440000000
  0.071322659840  0.080514669440  0.143708068000  0.247232602200  0.400896605200  0.528999324600  0.638035493200  1.246794681000  1.163057121000  1.231100856000  2.304872297000
  1.115129988000  0.161668967800
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5604859140e2 96.074410910000 12.638530610000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279736 -0.000001668827
  0.000131163478 -0.000043089139 -0.000017188149
  0.000530468657 -0.000171734101 -0.000067813223
 -0.000311934851  0.000104662418  0.000042499469
  0.001402142657 -0.000441493011 -0.000170403903
  0.003678574200 -0.001145095549 -0.000435898917
  0.013499432331 -0.004243452759 -0.001623701517
  0.040090963659 -0.012868196739 -0.004927106590
  0.106442999820 -0.035723454757 -0.013777497536
  0.232114739988 -0.086622384201 -0.033788492649
  0.364364981508 -0.169079373508 -0.068063589364
  0.307543639075 -0.210076510999 -0.089104313244
  0.080427432988  0.026385202529  0.011854837349
 -0.002090356197  0.532920398155  0.332301430370
  0.003316198104  0.503002845073  0.469761197983
 -0.001363869805  0.088629280353 -0.176772072927
  0.000406990892 -0.001454637538 -0.722090974075
 -0.000325546365  0.002459796679 -0.380396086923
  0.000089608200 -0.000422348432 -0.008381007385
  0.000008127870 -0.000070622937  0.007056156098
   15    2
 84.899601650000  8.860756063000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436677 -0.000006206639
 -0.000246403512 -0.000093687993
 -0.001889025617 -0.000716261141
 -0.009965018335 -0.003823596833
 -0.039612507167 -0.015363870486
 -0.119509004611 -0.048152577484
 -0.263338194232 -0.110472205988
 -0.386823029191 -0.174964015174
 -0.293027782548 -0.095834751572
 -0.071896696604  0.248306348501
 -0.001974064568  0.516803287862
 -0.001441696019  0.353327555435
  0.000194461334  0.048737950432
 -0.000059089244 -0.008978424726
  0.000025124098  0.000912924603
    9    1
  2.285357008000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572536489
  0.005773409981
  0.029828187177
  0.099724864704
  0.223371168969
  0.332956596746
  0.345843964387
  0.241675375592
  0.054619819139
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Tb3Ga5O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Tb3Ga5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021758754630 -0.031793737080 -0.065292259330 -0.121806213800 -0.218364975900 -0.383892096200 -0.509981769800 -0.458870223800 -0.757969347700 -1.297892700000 -1.062625549000
 -0.069752372490
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.418549280000  2.060518520000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006202045737  0.001317354867
  0.045639299719  0.009586680182
  0.200056273322  0.046727874649
  0.473804131528  0.114325510386
  0.380731883279  0.097459504029
  0.028994087260  0.070033145558
  0.024639022713 -0.461663764618
 -0.005622247740 -0.642514454065
    6    1
  0.601822792800
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013145683794
 -0.085183320183
 -0.249038290548
 -0.434584646450
 -0.513136598099
  0.092811926543
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.11. Dy3Ga5O12 (DyGG)
********************************************************************************
*           E.8.11.a. Dy3Ga5O12
*             /Dy.EMB-AIMP.Seijo.0s.0s.ECP.Dy3Ga5O12-Dy.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Dy3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Dy3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Dy3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Dy3Ga5O12-O.
********************************************************************************
*   Structure:
*     G. Patzke, R. Wartchow, M. Binnewies. Z. Kristallogr. NCS 214 (1999) 143-144. doi:10.1515/ncrs-1999-0202
*     (Ia-3d; a=12.3060 A, x=-0.0278, =0.0549, z=0.1499)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Dy.EMB-AIMP.Seijo.0s.0s.ECP.Dy3Ga5O12-Dy.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Dy(3+) in Dy3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.2997000000e5  1.0933700000e5  3.2514000000e4  1.0844100000e4  3.9308000000e3  1.4626800000e3  5.6355000000e2  2.5623000000e2 88.183000000000 45.714000000000  9.511500000000
  5.537000000000  2.187380000000  1.087230000000  0.587740000000
  0.187888758900  0.174545193900  0.288943103000  0.451938557600  0.620903784200  0.780812221700  1.380232869000  1.680791819000  1.572935518000  3.941802483000  3.643423930000
  2.731820126000  1.537636402000  1.661871528000  0.344453715500
M2
  0
COREREP
 1.0
PROJOP
    3
   27    5
  3.9679038870e3  6.7062793350e2  1.5362196580e2 32.559153220000  4.378530881000
67214502000.00000000
 6077568400.00000000
  944890800.00000000
  208295630.00000000
   51192202.00000000
   13811530.00000000
    4113756.00000000
    1317149.80000000
     443336.68000000
     157879.93000000
      59337.89900000
      23240.25100000
       9486.99610000
       4034.54000000
       1767.04680000
        792.34108000
        365.08060000
        155.18941000
         71.73039000
         28.70488400
         14.88283900
          5.83799750
          2.87495450
          0.79567065
          0.35452398
        575.93463e-4
        238.11901e-4
  0.000000044374  0.000000029329  0.000000003092 -0.000000008822  0.000000002524
 -0.000000222407 -0.000000147641 -0.000000015283  0.000000044473 -0.000000012730
  0.000000764056  0.000000527034  0.000000045769 -0.000000160630  0.000000045673
 -0.000000829637 -0.000001014087  0.000000100894  0.000000348935 -0.000000089137
 -0.000457257978 -0.000165474818 -0.000078659533  0.000036940124 -0.000014400290
 -0.000581606687 -0.000217247425 -0.000097969840  0.000049635881 -0.000018979518
 -0.001511529958 -0.000545119068 -0.000261996678  0.000121143390 -0.000047173813
 -0.003089119395 -0.001154774786 -0.000524446863  0.000263481133 -0.000102041449
 -0.006398525038 -0.002333281001 -0.001116104874  0.000520106280 -0.000197276025
 -0.012877171492 -0.004835269644 -0.002236007322  0.001101856925 -0.000453580914
 -0.025776631487 -0.009695388792 -0.004571550542  0.002194423683 -0.000860408030
 -0.051725456622 -0.020073273129 -0.009418357011  0.004576277934 -0.001832365754
 -0.101611778595 -0.040692465276 -0.019333851549  0.009355151505 -0.003720383862
 -0.188763947149 -0.082123915827 -0.039220917195  0.019115323622 -0.007629775261
 -0.303533674636 -0.148523043284 -0.073224751471  0.035701598056 -0.014252446098
 -0.328801756454 -0.207445226328 -0.105125598798  0.052169723230 -0.020888197446
 -0.160491131841 -0.052298950628 -0.025671270517  0.011747305264 -0.004684367204
 -0.016126218791  0.475041401698  0.387466337254 -0.211095024447  0.086533454547
  0.001319239126  0.581522950829  0.624308351877 -0.380254659767  0.159605114174
 -0.000531098990  0.111316816077 -0.403764793114  0.382833847747 -0.176513167925
  0.000360249148 -0.019501811008 -0.854751507646  1.028128416326 -0.510527155229
 -0.000161619485  0.006752789575 -0.123746981881 -0.580874722729  0.428291498061
  0.000073008430 -0.003180706616  0.016340803626 -0.881184206477  0.809616111238
 -0.000023617406  0.000976289207 -0.004106488633 -0.053863538558 -0.814892122108
  0.000011868214 -0.000461739686  0.001921893823  0.012109895646 -0.565833993948
 -0.000003030278  0.000118650335 -0.000464412238 -0.002181985374  0.017728849098
  0.000001417782 -0.000057605320  0.000224257884  0.001053529704 -0.003157554448
   23    4
  5.9625967670e2  1.3017961840e2 24.591163810000  2.202644617000
   52440248.00000000
    7469553.60000000
    1541307.30000000
     390397.57000000
     115424.59000000
      38636.40600000
      14258.54400000
       5741.16010000
       2486.07230000
       1142.91630000
        552.53606000
        278.40180000
        145.32206000
         77.66635900
         41.83035700
         22.95891500
         12.60513400
          6.69429330
          3.49347230
          1.76326030
          0.81966381
          0.36998079
          0.15250069
 -0.000000116957 -0.000000124523  0.000000032241 -0.000000086375
 -0.000022063090 -0.000010639817 -0.000005459987 -0.000001409793
 -0.000056253817 -0.000028868636 -0.000012403396 -0.000005655911
 -0.000162660105 -0.000078607261 -0.000040332286 -0.000010007060
 -0.000436662164 -0.000219107685 -0.000102218506 -0.000040988393
 -0.001198461172 -0.000597444929 -0.000286496736 -0.000101685023
 -0.003340248021 -0.001676757496 -0.000799396742 -0.000293904748
 -0.009364067658 -0.004733737517 -0.002264611473 -0.000822717516
 -0.025911538354 -0.013262942462 -0.006359793749 -0.002329478792
 -0.067420276933 -0.035297776557 -0.017012874241 -0.006194952821
 -0.152908140837 -0.082987324350 -0.040337184855 -0.014827712011
 -0.274338269483 -0.156627837781 -0.077066985900 -0.028116019049
 -0.340998296802 -0.200388847801 -0.099389752479 -0.036948643684
 -0.241213117020 -0.071032031893 -0.022861751408 -0.006452106411
 -0.072980106740  0.276456961018  0.199836981978  0.076953832664
 -0.005224480570  0.513433995498  0.409922055385  0.170550126469
 -0.000591974763  0.297013751054  0.126476901890  0.028290470488
  0.000349410633  0.050757394245 -0.483719980346 -0.247787267758
 -0.000076540576  0.001760632807 -0.567920365962 -0.372270576559
  0.000062233551  0.000482354068 -0.165487690010  0.069978113739
 -0.000024877435 -0.000110686259 -0.007715966153  0.557768840420
  0.000009306877  0.000043063635 -0.001225335715  0.531904596163
 -0.000002314012 -0.000015790632  0.000490318979  0.010042765830
   15    2
 99.269100840000 13.339261230000
      15533.20600000
       4007.72130000
       1419.13380000
        595.80893000
        277.57910000
        137.68029000
         71.30574300
         37.81334200
         20.47626000
         11.12570000
          5.98683110
          3.21650100
          1.71465620
          0.88136054
          0.37694426
  0.000062688781  0.000030040471
  0.000467108330  0.000225001773
  0.002645831153  0.001274462454
  0.011855558860  0.005764700777
  0.042085504009  0.020594906043
  0.117247167148  0.058588982749
  0.242963586787  0.121676929376
  0.350767782252  0.169809567890
  0.304390406598  0.092559762551
  0.128711536686 -0.178422861664
  0.020646901435 -0.412113358598
  0.001302184259 -0.375388837434
  0.000170003965 -0.165562494714
  0.000058356783 -0.032423140347
  0.000006943817 -0.001662219585
   10    1    9
  0.443209907800
        382.49412000
        131.23976000
         56.11926000
         26.28078200
         12.96401500
          6.46034550
          3.14710310
          1.46368310
          0.62963362
          0.23567072
  0.000754022807
  0.006488748956
  0.030276869979
  0.091368425067
  0.196790059399
  0.294793995763
  0.327518799939
  0.273027522285
  0.164659475083
  0.050310817171
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Dy3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gao(3+) in Dy3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0097000000e5  6.6696000000e4  1.6615000000e4  4.8490000000e3  1.5989000000e3  5.7459000000e2  2.0263000000e2 77.199000000000 34.948000000000 10.433300000000  4.799500000000
  2.111800000000  0.860880000000
  0.071312068210  0.080419963500  0.143504110500  0.247168332900  0.400630323800  0.528748104100  0.637552207000  1.245490144000  1.164619491000  1.226263631000  2.305432409000
  1.119758557000  0.162433990700
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5588185550e2 95.906892090000 12.476878970000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491980 -0.000004279725 -0.000001668300
  0.000131163490 -0.000043089083 -0.000017180385
  0.000530468703 -0.000171733725 -0.000067787616
 -0.000311934841  0.000104662152  0.000042484287
  0.001402143070 -0.000441489852 -0.000170361000
  0.003678574848 -0.001145097250 -0.000435677454
  0.013499438075 -0.004243405104 -0.001623478166
  0.040090969212 -0.012868244989 -0.004924293404
  0.106443058972 -0.035722945870 -0.013776824649
  0.232114768253 -0.086623093204 -0.033765092691
  0.364365349215 -0.169075680393 -0.068074946093
  0.307543322712 -0.210083189432 -0.088985485078
  0.080427650629  0.026406750548  0.011616062329
 -0.002091728217  0.532870401467  0.332737641377
  0.003318275311  0.503071964195  0.468431564548
 -0.001366752660  0.088515831427 -0.174358173063
  0.000410565819 -0.001287590323 -0.725259570486
 -0.000328392978  0.002317727415 -0.376796813542
  0.000091699857 -0.000309420662 -0.012051773265
  0.000007697636 -0.000093251779  0.007755319386
   15    2
 84.732125590000  8.697087960000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436678 -0.000006204665
 -0.000246402601 -0.000093676557
 -0.001889025019 -0.000716049103
 -0.009964985923 -0.003823086321
 -0.039612512350 -0.015359321939
 -0.119508677962 -0.048146645998
 -0.263338498056 -0.110435029332
 -0.386817957628 -0.174956366508
 -0.293029191530 -0.095741920607
 -0.071898977871  0.248054020100
 -0.001982550778  0.516913950169
 -0.001435729715  0.353102141553
  0.000191548070  0.048728740119
 -0.000068634383 -0.007543915243
  0.000029394915  0.000198145347
    9    1
  2.120101280000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
 -0.000572794406
 -0.005773064953
 -0.029839603546
 -0.099717521021
 -0.223473135905
 -0.332841419335
 -0.346373089984
 -0.241183354830
 -0.054315746574
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Dy3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Dy3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0098000000e5  6.6618000000e4  1.6574000000e4  4.8360000000e3  1.5943000000e3  5.7267000000e2  2.0176000000e2 76.877000000000 34.789000000000 10.353600000000  4.763200000000
  2.089900000000  0.843180000000
  0.071319553890  0.080553386400  0.143759312800  0.247524725000  0.401302535700  0.529256754200  0.639298983700  1.249911174000  1.159891728000  1.242828435000  2.304682297000
  1.105364435000  0.157640012400
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5601289350e2 96.038417480000 12.602063570000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279740 -0.000001668549
  0.000131163478 -0.000043089208 -0.000017184148
  0.000530468659 -0.000171734285 -0.000067799604
 -0.000311934858  0.000104662383  0.000042488611
  0.001402142697 -0.000441493064 -0.000170389147
  0.003678574048 -0.001145100494 -0.000435825773
  0.013499433070 -0.004243448031 -0.001623684782
  0.040090961428 -0.012868262850 -0.004926109985
  0.106443009035 -0.035723370589 -0.013777925583
  0.232114717799 -0.086622985994 -0.033779836570
  0.364365036857 -0.169078427056 -0.068072385556
  0.307543509879 -0.210080063898 -0.089056271512
  0.080427742327  0.026393117094  0.011748050864
 -0.002090951480  0.532905151721  0.332522763464
  0.003317064655  0.503036371627  0.469221769355
 -0.001365122082  0.088571469466 -0.175813701159
  0.000408492660 -0.001386037568 -0.723620404844
 -0.000326721445  0.002400010285 -0.378452696485
  0.000090640828 -0.000365477895 -0.010383600684
  0.000007838254 -0.000086206941  0.007504839923
   15    2
 84.863587220000  8.822284623000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436741 -0.000006206361
 -0.000246404249 -0.000093689576
 -0.001889032772 -0.000716234097
 -0.009965049406 -0.003823649436
 -0.039612663216 -0.015363307636
 -0.119509391610 -0.048153507708
 -0.263339341857 -0.110467212008
 -0.386824342507 -0.174973582415
 -0.293028711277 -0.095809487011
 -0.071891764023  0.248285262008
 -0.001973341992  0.516900634233
 -0.001440251469  0.353067742714
  0.000194952573  0.048625932944
 -0.000066531098 -0.007838686288
  0.000028246957  0.000472297047
    9    1
  2.246397021000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572658535
  0.005771180283
  0.029832148310
  0.099685943518
  0.223429011582
  0.332702604797
  0.346198066599
  0.240327546351
  0.056874604182
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Dy3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Dy3Ga5O12 with orthogonality orbitals
     3.0   2
* s-type functions
   20    1
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
 -0.000001668549
 -0.000017184148
 -0.000067799604
  0.000042488611
 -0.000170389147
 -0.000435825773
 -0.001623684782
 -0.004926109985
 -0.013777925583
 -0.033779836570
 -0.068072385556
 -0.089056271512
  0.011748050864
  0.332522763464
  0.469221769355
 -0.175813701159
 -0.723620404844
 -0.378452696485
 -0.010383600684
  0.007504839923
* p-type functions
   15    1
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000006206361
 -0.000093689576
 -0.000716234097
 -0.003823649436
 -0.015363307636
 -0.048153507708
 -0.110467212008
 -0.174973582415
 -0.095809487011
  0.248285262008
  0.516900634233
  0.353067742714
  0.048625932944
 -0.007838686288
  0.000472297047
* d-type functions
    9    1
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572658535
  0.005771180283
  0.029832148310
  0.099685943518
  0.223429011582
  0.332702604797
  0.346198066599
  0.240327546351
  0.056874604182
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0098000000e5  6.6618000000e4  1.6574000000e4  4.8360000000e3  1.5943000000e3  5.7267000000e2  2.0176000000e2 76.877000000000 34.789000000000 10.353600000000  4.763200000000
  2.089900000000  0.843180000000
  0.071319553890  0.080553386400  0.143759312800  0.247524725000  0.401302535700  0.529256754200  0.639298983700  1.249911174000  1.159891728000  1.242828435000  2.304682297000
  1.105364435000  0.157640012400
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5601289350e2 96.038417480000 12.602063570000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279740 -0.000001668549
  0.000131163478 -0.000043089208 -0.000017184148
  0.000530468659 -0.000171734285 -0.000067799604
 -0.000311934858  0.000104662383  0.000042488611
  0.001402142697 -0.000441493064 -0.000170389147
  0.003678574048 -0.001145100494 -0.000435825773
  0.013499433070 -0.004243448031 -0.001623684782
  0.040090961428 -0.012868262850 -0.004926109985
  0.106443009035 -0.035723370589 -0.013777925583
  0.232114717799 -0.086622985994 -0.033779836570
  0.364365036857 -0.169078427056 -0.068072385556
  0.307543509879 -0.210080063898 -0.089056271512
  0.080427742327  0.026393117094  0.011748050864
 -0.002090951480  0.532905151721  0.332522763464
  0.003317064655  0.503036371627  0.469221769355
 -0.001365122082  0.088571469466 -0.175813701159
  0.000408492660 -0.001386037568 -0.723620404844
 -0.000326721445  0.002400010285 -0.378452696485
  0.000090640828 -0.000365477895 -0.010383600684
  0.000007838254 -0.000086206941  0.007504839923
   15    2
 84.863587220000  8.822284623000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436741 -0.000006206361
 -0.000246404249 -0.000093689576
 -0.001889032772 -0.000716234097
 -0.009965049406 -0.003823649436
 -0.039612663216 -0.015363307636
 -0.119509391610 -0.048153507708
 -0.263339341857 -0.110467212008
 -0.386824342507 -0.174973582415
 -0.293028711277 -0.095809487011
 -0.071891764023  0.248285262008
 -0.001973341992  0.516900634233
 -0.001440251469  0.353067742714
  0.000194952573  0.048625932944
 -0.000066531098 -0.007838686288
  0.000028246957  0.000472297047
    9    1
  2.246397021000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572658535
  0.005771180283
  0.029832148310
  0.099685943518
  0.223429011582
  0.332702604797
  0.346198066599
  0.240327546351
  0.056874604182
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Dy3Ga5O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Dy3Ga5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021759919530 -0.031794570570 -0.065297007740 -0.121807903300 -0.218382329600 -0.383896363500 -0.510026069700 -0.458835286200 -0.758112874300 -1.298334144000 -1.062021195000
 -0.069732336350
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.335429700000  1.977279864000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006202040825  0.001317898326
  0.045639197574  0.009592499032
  0.200056202943  0.046740811012
  0.473800695735  0.114478203709
  0.380723987840  0.097849442735
  0.029002092714  0.069755439042
  0.024650835564 -0.462653205440
 -0.005633002236 -0.641677962050
    6    1
  0.519187439200
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013143884027
 -0.085175592256
 -0.248995617223
 -0.434712631186
 -0.512966603992
  0.092657325091
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.12. Ho3Ga5O12 (HoGG)
********************************************************************************
*           E.8.12.a. Ho3Ga5O12
*             /Ho.EMB-AIMP.Seijo.0s.0s.ECP.Ho3Ga5O12-Ho.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Ho3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Ho3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Ho3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Ho3Ga5O12-O.
********************************************************************************
*   Structure:
*     G. Patzke, R. Wartchow, M. Binnewies. Z. Kristallogr. NCS 214 (1999) 143-144. doi:10.1515/ncrs-1999-0202
*     (Ia-3d; a=12.3060 A, x=-0.0278, =0.0549, z=0.1499)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Ho.EMB-AIMP.Seijo.0s.0s.ECP.Ho3Ga5O12-Ho.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Ho(3+) in Ho3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.2877000000e5  1.0890900000e5  3.2404000000e4  1.0844200000e4  3.9322000000e3  1.4552300000e3  5.6389000000e2  2.5843000000e2 88.752000000000 47.075000000000  9.887400000000
  5.623800000000  2.196380000000  1.098730000000  0.605850000000
  0.192901356000  0.179425909700  0.295913202600  0.460060974800  0.631403665100  0.800800143500  1.420073610000  1.648804920000  1.652997769000  3.873689665000  3.811566853000
  2.804669957000  1.629575542000  1.594370533000  0.337079236900
M2
  0
COREREP
 1.0
PROJOP
    3
   27    5
  4.1026770650e3  6.9629153480e2  1.5993250470e2 33.840125150000  4.548668386000
57876523000.00000000
 6285011100.00000000
 1045296700.00000000
  209451370.00000000
   51656671.00000000
   14119209.00000000
    4152460.10000000
    1324709.40000000
     448022.74000000
     159208.76000000
      59306.91700000
      23231.07700000
       9504.67560000
       4033.38790000
       1768.48470000
        797.58700000
        369.73108000
        159.06501000
         73.77257900
         29.69960500
         15.39441300
          6.05318800
          2.97510880
          0.81915905
          0.36381960
        598.58954e-4
        246.86956e-4
  0.000000082394  0.000000044358  0.000000007919 -0.000000013025  0.000000002711
 -0.000000374547 -0.000000201912 -0.000000035883  0.000000059332 -0.000000012351
  0.000001208992  0.000000659204  0.000000112572 -0.000000194801  0.000000040116
 -0.000002473607 -0.000001552097 -0.000000140883  0.000000487886 -0.000000084846
 -0.000480319358 -0.000174778722 -0.000083282277  0.000039149461 -0.000015379663
 -0.000606519277 -0.000227023068 -0.000102640313  0.000052173647 -0.000019566624
 -0.001606626067 -0.000583247790 -0.000280783990  0.000130045938 -0.000051349178
 -0.003236594957 -0.001213112121 -0.000552264506  0.000278324682 -0.000105968141
 -0.006662374832 -0.002444076566 -0.001172026812  0.000546724318 -0.000210249477
 -0.013543924493 -0.005104877627 -0.002367103605  0.001168103350 -0.000474087127
 -0.027132027627 -0.010263900788 -0.004851699166  0.002332911098 -0.000914500813
 -0.053680867709 -0.020945739289 -0.009854006252  0.004796359985 -0.001909264249
 -0.105170643615 -0.042421450108 -0.020214796488  0.009796814523 -0.003880887831
 -0.194397405344 -0.085260155546 -0.040848192690  0.019948571266 -0.007924444273
 -0.305827725452 -0.151390990610 -0.074951789761  0.036601754532 -0.014551037436
 -0.322666582052 -0.205127755749 -0.104262721787  0.051893225219 -0.020677077614
 -0.153184658439 -0.041918048788 -0.019619560078  0.008543553409 -0.003392282713
 -0.014844839784  0.480806978869  0.395746279791 -0.216181361140  0.088300909683
  0.001047305057  0.574093492159  0.618409861067 -0.378676759347  0.158204043974
 -0.000382941137  0.108012108101 -0.418315843028  0.400433951049 -0.183689234163
  0.000264180603 -0.018438255729 -0.846728351137  1.019062695916 -0.504399650401
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   23    4
  6.1825211400e2  1.3545103870e2 25.534731530000  2.301567057000
   51644258.00000000
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  0.231474135531 -0.055599942925  0.013631406776 -0.002909587318
  0.065843729095  0.300862812208 -0.218871289761  0.083801245005
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  0.000022529304 -0.000018763365  0.006239843879  0.560973900316
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   15    2
  1.0354332970e2 13.902246700000
      16015.42300000
       4009.43250000
       1416.75100000
        596.01133000
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        137.69700000
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  0.002856038652  0.001380500370
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  0.123592365132  0.062053369076
  0.252094381265  0.126574682416
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  0.017282817508 -0.418504332018
  0.001266675722 -0.362469178227
  0.000106925174 -0.152307263026
  0.000084120890 -0.028520418792
  0.000001801118 -0.001431245978
   10    1   10
  0.653399495900
        381.82905000
        131.00528000
         56.06871900
         26.27559400
         12.97521100
          6.46149370
          3.14903640
          1.46790620
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 -0.007249741612
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 -0.098731794556
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 -0.301249579479
 -0.324605053482
 -0.263450433512
 -0.154435860979
 -0.041900595426
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Ho3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gao(3+) in Ho3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0140000000e5  6.6793000000e4  1.6632000000e4  4.8563000000e3  1.6017000000e3  5.7559000000e2  2.0306000000e2 77.349000000000 35.020000000000 10.467900000000  4.815300000000
  2.121300000000  0.870490000000
  0.071258302110  0.080386512090  0.143423486900  0.246851477000  0.400315463300  0.528570713700  0.636756348600  1.243584282000  1.166766570000  1.219169864000  2.305738100000
  1.125298453000  0.165213760000
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5596457530e2 95.989736220000 12.560408830000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
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  0.000131163490 -0.000043089026 -0.000017182594
  0.000530468705 -0.000171733544 -0.000067795233
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  0.001402143062 -0.000441489684 -0.000170366414
  0.003678574964 -0.001145094387 -0.000435706534
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  0.232114782805 -0.086622755671 -0.033769061402
  0.364365328121 -0.169076139782 -0.068068424834
  0.307543390538 -0.210081266701 -0.089009839767
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  0.000091285482 -0.000332483363 -0.011206064465
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   15    2
 84.814969070000  8.781342969000
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 -0.386817073046 -0.174959808923
 -0.293028914384 -0.095733075858
 -0.071901147748  0.248018046096
 -0.001983833474  0.516939725229
 -0.001435359238  0.353101021259
  0.000189676527  0.049029305967
 -0.000062887243 -0.008441036641
  0.000027214961  0.000498849935
    9    1
  2.204661956000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572636571
  0.005774437752
  0.029833460690
  0.099741750567
  0.223403538602
  0.333024241363
  0.346023529035
  0.242187009324
  0.052925841421
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Ho3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Ho3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0021000000e5  6.6545000000e4  1.6559000000e4  4.8315000000e3  1.5934000000e3  5.7237000000e2  2.0166000000e2 76.877000000000 34.800000000000 10.363900000000  4.769600000000
  2.094800000000  0.850390000000
  0.071381677500  0.080556625100  0.143854537900  0.247592723500  0.401321150300  0.529352799000  0.639258048700  1.249351097000  1.159922233000  1.240181138000  2.304111146000
  1.107552542000  0.158897615500
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5602697950e2 96.052708100000 12.616418840000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
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       8976.54700000
       3372.09600000
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  0.000131163477 -0.000043089166 -0.000017186918
  0.000530468657 -0.000171734181 -0.000067809011
 -0.000311934854  0.000104662405  0.000042496006
  0.001402142658 -0.000441493150 -0.000170399815
  0.003678574115 -0.001145097478 -0.000435877719
  0.013499432416 -0.004243452718 -0.001623703147
  0.040090962561 -0.012868221484 -0.004926812183
  0.106443001322 -0.035723440800 -0.013777692952
  0.232114730075 -0.086622598923 -0.033785898225
  0.364364990177 -0.169079137379 -0.068066681043
  0.307543599168 -0.210077681322 -0.089089509247
  0.080427548483  0.026387553334  0.011820997517
 -0.002090543722  0.532916211721  0.332373753706
  0.003316467740  0.503013649713  0.469594766673
 -0.001364263809  0.088610384154 -0.176478470452
  0.000407458941 -0.001433479223 -0.722585975846
 -0.000325910969  0.002441188231 -0.379746711006
  0.000089955123 -0.000403131859 -0.009082324086
  0.000008009284 -0.000077104762  0.007263594393
   15    2
 84.877888070000  8.837908044000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
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         13.71275000
          6.35991600
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          1.27024500
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          0.15285910
          0.04856343
 -0.000016436703 -0.000006206581
 -0.000246403845 -0.000093689472
 -0.001889028551 -0.000716256492
 -0.009965032152 -0.003823652339
 -0.039612570436 -0.015363778214
 -0.119509173909 -0.048153388894
 -0.263338650509 -0.110471170878
 -0.386823749833 -0.174969623056
 -0.293028115339 -0.095825251134
 -0.071894577737  0.248301656094
 -0.001973509558  0.516850106984
 -0.001441248311  0.353211491289
  0.000194605425  0.048726864800
 -0.000061574383 -0.008612669713
  0.000026275058  0.000748431188
    9    1
  2.262383878000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
 -0.000572560990
 -0.005772512592
 -0.029828672689
 -0.099709291351
 -0.223384509948
 -0.332862454679
 -0.345944900899
 -0.241181068217
 -0.055541081652
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Ho3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Ho3Ga5O12 with orthogonality functions
     3.0   2
* s-type functions
   20    1
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
 -0.000001668741
 -0.000017186918
 -0.000067809011
  0.000042496006
 -0.000170399815
 -0.000435877719
 -0.001623703147
 -0.004926812183
 -0.013777692952
 -0.033785898225
 -0.068066681043
 -0.089089509247
  0.011820997517
  0.332373753706
  0.469594766673
 -0.176478470452
 -0.722585975846
 -0.379746711006
 -0.009082324086
  0.007263594393
* p-type functions
   15    1
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000006206581
 -0.000093689472
 -0.000716256492
 -0.003823652339
 -0.015363778214
 -0.048153388894
 -0.110471170878
 -0.174969623056
 -0.095825251134
  0.248301656094
  0.516850106984
  0.353211491289
  0.048726864800
 -0.008612669713
  0.000748431188
* d-type functions
    9    1
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
 -0.000572560990
 -0.005772512592
 -0.029828672689
 -0.099709291351
 -0.223384509948
 -0.332862454679
 -0.345944900899
 -0.241181068217
 -0.055541081652
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0021000000e5  6.6545000000e4  1.6559000000e4  4.8315000000e3  1.5934000000e3  5.7237000000e2  2.0166000000e2 76.877000000000 34.800000000000 10.363900000000  4.769600000000
  2.094800000000  0.850390000000
  0.071381677500  0.080556625100  0.143854537900  0.247592723500  0.401321150300  0.529352799000  0.639258048700  1.249351097000  1.159922233000  1.240181138000  2.304111146000
  1.107552542000  0.158897615500
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5602697950e2 96.052708100000 12.616418840000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279738 -0.000001668741
  0.000131163477 -0.000043089166 -0.000017186918
  0.000530468657 -0.000171734181 -0.000067809011
 -0.000311934854  0.000104662405  0.000042496006
  0.001402142658 -0.000441493150 -0.000170399815
  0.003678574115 -0.001145097478 -0.000435877719
  0.013499432416 -0.004243452718 -0.001623703147
  0.040090962561 -0.012868221484 -0.004926812183
  0.106443001322 -0.035723440800 -0.013777692952
  0.232114730075 -0.086622598923 -0.033785898225
  0.364364990177 -0.169079137379 -0.068066681043
  0.307543599168 -0.210077681322 -0.089089509247
  0.080427548483  0.026387553334  0.011820997517
 -0.002090543722  0.532916211721  0.332373753706
  0.003316467740  0.503013649713  0.469594766673
 -0.001364263809  0.088610384154 -0.176478470452
  0.000407458941 -0.001433479223 -0.722585975846
 -0.000325910969  0.002441188231 -0.379746711006
  0.000089955123 -0.000403131859 -0.009082324086
  0.000008009284 -0.000077104762  0.007263594393
   15    2
 84.877888070000  8.837908044000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436703 -0.000006206581
 -0.000246403845 -0.000093689472
 -0.001889028551 -0.000716256492
 -0.009965032152 -0.003823652339
 -0.039612570436 -0.015363778214
 -0.119509173909 -0.048153388894
 -0.263338650509 -0.110471170878
 -0.386823749833 -0.174969623056
 -0.293028115339 -0.095825251134
 -0.071894577737  0.248301656094
 -0.001973509558  0.516850106984
 -0.001441248311  0.353211491289
  0.000194605425  0.048726864800
 -0.000061574383 -0.008612669713
  0.000026275058  0.000748431188
    9    1
  2.262383878000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
 -0.000572560990
 -0.005772512592
 -0.029828672689
 -0.099709291351
 -0.223384509948
 -0.332862454679
 -0.345944900899
 -0.241181068217
 -0.055541081652
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Ho3Ga5O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Ho3Ga5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021762128710 -0.031806110260 -0.065291503340 -0.121865751800 -0.218345310300 -0.384079102500 -0.509903858500 -0.459481272300 -0.757449374500 -1.301590340000 -1.059936761000
 -0.068488486740
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.383532660000  2.029831756000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006202002776  0.001317346634
  0.045639011631  0.009588906376
  0.200054624241  0.046719247220
  0.473801156465  0.114451355464
  0.380740297537  0.097888543650
  0.028985182975  0.069643147109
  0.024655821623 -0.462091756920
 -0.005629093558 -0.642188481194
    6    1
  0.570380216500
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013145083028
 -0.085296713305
 -0.248782989847
 -0.436292809904
 -0.511352408164
  0.092906143620
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.13. Yb3Ga5O12 (YbGG)
********************************************************************************
*           E.8.13.a. Yb3Ga5O12
*             /Yb.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Ga5O12-Yb.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Yb3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Ga5O12-O.
********************************************************************************
*   Structure:
*     F. Euler, J.A. Bruce. Acta Crystallogr. 19 (1965) 971-978. doi:10.1107/s0365110x65004747
*     (Ia-3d; a=12.204 A, x=-0.0259, =0.0563, z=0.1519)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Yb.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Ga5O12-Yb.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Yb(3+) in Yb3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  4.9989000000e5  9.7959000000e4  2.8077000000e4  9.1392000000e3  3.2229000000e3  1.1518400000e3  4.6457000000e2  2.1342000000e2 77.565000000000 47.728000000000 10.815900000000
  5.650200000000  2.113180000000  1.031310000000  0.555780000000
  0.215937009300  0.210943631700  0.350186380200  0.538259627000  0.708876818900  0.984691417600  1.755014024000  1.268244732000  2.544752547000  2.842445213000  4.524422868000
  2.894431941000  1.980502136000  1.366895744000  0.147729251400
M2
  0
COREREP
 1.0
PROJOP
    3
   27    5
  4.5232874550e3  7.7669185660e2  1.7946908210e2 37.560202710000  4.809580291000
71671917000.00000000
 6852841700.00000000
 1106179400.00000000
  229631520.00000000
   55103176.00000000
   14844859.00000000
    4330035.30000000
    1362292.70000000
     455129.54000000
     160284.05000000
      59517.78700000
      23205.18500000
       9486.29640000
       4034.79720000
       1776.82990000
        806.29235000
        375.30396000
        170.09758000
         80.21751000
         33.23581400
         17.20624400
          6.88591310
          3.35803840
          0.91181315
          0.39903684
        630.49721e-4
        255.66065e-4
  0.000000175275  0.000000056507  0.000000037781 -0.000000009627  0.000000007841
 -0.000000870625 -0.000000281104 -0.000000187318  0.000000048078 -0.000000038820
  0.000003259519  0.000001062262  0.000000693294 -0.000000185966  0.000000142704
 -0.000013318408 -0.000004517862 -0.000002688822  0.000000867475 -0.000000538328
  0.000563760984  0.000208699944  0.000099742762 -0.000047292090  0.000018582086
  0.000701864958  0.000264265354  0.000121030075 -0.000061465238  0.000022234118
  0.001866914276  0.000691009580  0.000333159300 -0.000155867735  0.000062002817
  0.003761623895  0.001420437643  0.000654359170 -0.000329738487  0.000121510153
  0.007760077364  0.002901285564  0.001395130700 -0.000656998814  0.000254570752
  0.015605426148  0.005951628979  0.002784651349 -0.001376045294  0.000544564790
  0.031000123425  0.011933554138  0.005677615186 -0.002744295490  0.001065378896
  0.060751604889  0.024090199991  0.011424743676 -0.005582504630  0.002187786423
  0.116368630696  0.048022379108  0.023068749956 -0.011230202700  0.004387782476
  0.208919077467  0.093795857758  0.045367433906 -0.022261462091  0.008720683982
  0.313153091877  0.160674710562  0.080433041010 -0.039469458255  0.015467503789
  0.307581607170  0.198136943947  0.101650375106 -0.050925842019  0.020027961887
  0.129135682673  0.005362699643 -0.002896011645  0.003350669901 -0.001417412638
  0.009588129797 -0.494640278060 -0.417730617394  0.230250611380 -0.092743312203
  0.000246464049 -0.548198124308 -0.597640472378  0.370605053562 -0.153068124681
 -0.000306715662 -0.100523842132  0.440464185702 -0.428093036704  0.194535396884
  0.000165012240  0.015231716753  0.835421564301 -1.008998413893  0.490683075388
 -0.000081441411 -0.005107497101  0.118981682954  0.598259566403 -0.428400777937
  0.000044629687  0.002305913242 -0.014020083892  0.873904750396 -0.781838562388
 -0.000013947898 -0.000677981552  0.003507857603  0.054196647192  0.794549299280
  0.000006004994  0.000315156081 -0.001626968873 -0.012675868400  0.568412202640
 -0.000001569583 -0.000080560841  0.000391987510  0.002422809527 -0.011262900952
  0.000000853934  0.000039174230 -0.000189427053 -0.001180041365  0.000306686259
   23    4
  6.8652939130e2  1.5158874980e2 28.166996390000  2.346262123000
   54522375.00000000
    7756402.20000000
    1591450.30000000
     401990.82000000
     118400.33000000
      39288.98900000
      14434.44400000
       5789.64170000
       2497.81700000
       1143.66880000
        551.53591000
        277.68476000
        144.98333000
         77.52811200
         41.79454800
         23.21254600
         12.92239700
          7.01919830
          3.75167190
          1.93018560
          0.92262189
          0.42161742
          0.17537191
 -0.000001387188  0.000000753457 -0.000000263120 -0.000000153938
 -0.000027914841  0.000013752513 -0.000007019598 -0.000002029799
 -0.000072370395  0.000037191256 -0.000016402639 -0.000006456790
 -0.000205824703  0.000101687450 -0.000051899254 -0.000014534219
 -0.000555584843  0.000281717300 -0.000132720184 -0.000049928043
 -0.001520184050  0.000768624399 -0.000370678479 -0.000128888914
 -0.004201924280  0.002139147584 -0.001026493294 -0.000365001901
 -0.011677615429  0.005992727419 -0.002887464953 -0.001019423152
 -0.031964275246  0.016638326755 -0.008032446278 -0.002850542449
 -0.081634383818  0.043569175810 -0.021180419697 -0.007495096474
 -0.178289688287  0.098948516860 -0.048483450665 -0.017268251808
 -0.300724967094  0.175801451714 -0.087477234456 -0.031046501924
 -0.336123311595  0.194972500943 -0.096165761691 -0.034509666435
 -0.201436366000  0.003333509293  0.018514410172  0.008899051396
 -0.046963750463 -0.368078209099  0.273761550062  0.104048284763
 -0.002135954640 -0.488741428484  0.395030494169  0.158256191269
 -0.000316380176 -0.220339097141 -0.007856667707 -0.031947447721
  0.000226510544 -0.030843677958 -0.529510150481 -0.265868624754
 -0.000028609020 -0.001471927863 -0.500415318988 -0.319265375704
  0.000029728280 -0.000284544605 -0.134522171709  0.099421807607
 -0.000011116348  0.000042242814 -0.006306054246  0.524517156251
  0.000003697545 -0.000018917421 -0.001124577493  0.528996910142
 -0.000000862768  0.000008240723 -0.000379905964  0.032493055709
   15    2
  1.1652244550e2 15.344545370000
      18187.93200000
       4693.70600000
       1574.51950000
        630.46752000
        284.53395000
        138.57521000
         70.87766300
         37.39173500
         20.23540500
         10.97915700
          5.84952860
          3.05669180
          1.52299580
          0.65156983
        857.28077e-4
 -0.000065296074 -0.000031678154
 -0.000496454557 -0.000241838383
 -0.003095697377 -0.001510510396
 -0.014784033844 -0.007278462308
 -0.053387082869 -0.026530891556
 -0.145644779973 -0.073921017618
 -0.283479487070 -0.143321838558
 -0.364310791476 -0.172199541632
 -0.259988156164 -0.029673571216
 -0.085896096567  0.267107190944
 -0.010103380284  0.441216167890
 -0.000802290874  0.326042934908
 -0.000146682272  0.104894571586
 -0.000039265346  0.009186605209
  0.000000643584  0.000185076580
   10    1   13
  1.038923414000
        936.47925000
        236.16785000
         88.82383000
         38.89926000
         18.23438400
          8.74166850
          4.09937970
          1.83554510
          0.75881066
          0.27270801
 -0.000193435296
 -0.003146176109
 -0.020637732311
 -0.076074870777
 -0.188462371086
 -0.306659007058
 -0.348520174410
 -0.285341321516
 -0.159647835440
 -0.038600745510
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gao(3+) in Yb3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0121000000e5  6.6712000000e4  1.6612000000e4  4.8498000000e3  1.5992000000e3  5.7452000000e2  2.0250000000e2 77.120000000000 34.904000000000 10.411200000000  4.788800000000
  2.105600000000  0.854990000000
  0.071289997450  0.080449233060  0.143507579800  0.247078707700  0.400680649800  0.528946450200  0.638134863800  1.246933832000  1.163427383000  1.231097386000  2.305473057000
  1.115875840000  0.160438353300
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5592641260e2 95.951370040000 12.521522690000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491980 -0.000004279726 -0.000001668147
  0.000131163490 -0.000043089114 -0.000017178170
  0.000530468704 -0.000171733805 -0.000067780052
 -0.000311934842  0.000104662185  0.000042477806
  0.001402143099 -0.000441489607 -0.000170354037
  0.003678574804 -0.001145098829 -0.000435644075
  0.013499438570 -0.004243399057 -0.001623484225
  0.040090968416 -0.012868268983 -0.004923821453
  0.106443064711 -0.035722870834 -0.013777175737
  0.232114759515 -0.086623336699 -0.033760903940
  0.364365386249 -0.169075031857 -0.068080142819
  0.307543254414 -0.210084869931 -0.088961289395
  0.080427788889  0.026411031518  0.011560750731
 -0.002092023082  0.532861169854  0.332854377548
  0.003318713858  0.503088356766  0.468152646727
 -0.001367374146  0.088488749555 -0.173844977013
  0.000411302168 -0.001253015322 -0.726041418737
 -0.000328948945  0.002289109936 -0.375923064883
  0.000092050473 -0.000290121549 -0.012683397760
  0.000007724436 -0.000091456897  0.007594715532
   15    2
 84.776597480000  8.741083770000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436690 -0.000006204776
 -0.000246402711 -0.000093674899
 -0.001889026299 -0.000716059019
 -0.009964990784 -0.003823026702
 -0.039612541348 -0.015359535173
 -0.119508741123 -0.048145804755
 -0.263338715110 -0.110437363655
 -0.386818030856 -0.174950120224
 -0.293029316850 -0.095755108540
 -0.071898511862  0.248086270470
 -0.001982029791  0.516864040343
 -0.001436224388  0.353189936680
  0.000193527435  0.048376406906
 -0.000073898383 -0.006750608631
  0.000031140499 -0.000116109712
    9    1
  2.163736566000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
 -0.000572966529
 -0.005772347813
 -0.029846846651
 -0.099704588349
 -0.223546116827
 -0.332716321138
 -0.346704218687
 -0.240439555873
 -0.055084566932
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Yb3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0095000000e5  6.6625000000e4  1.6567000000e4  4.8336000000e3  1.5945000000e3  5.7299000000e2  2.0187000000e2 76.899000000000 34.795000000000 10.349700000000  4.758700000000
  2.085100000000  0.836220000000
  0.071313774840  0.080560556580  0.143844371700  0.247500286400  0.401021959300  0.529108281400  0.639246257300  1.249801822000  1.160235174000  1.244382615000  2.306134990000
  1.103640798000  0.156542448600
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5595054400e2 95.975956300000 12.538908710000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279743 -0.000001668443
  0.000131163477 -0.000043089246 -0.000017182635
  0.000530468656 -0.000171734398 -0.000067794415
 -0.000311934862  0.000104662360  0.000042484335
  0.001402142688 -0.000441493339 -0.000170384125
  0.003678573911 -0.001145103167 -0.000435799877
  0.013499433034 -0.004243449309 -0.001623686849
  0.040090959732 -0.012868296317 -0.004925750045
  0.106443009569 -0.035723365278 -0.013778165684
  0.232114703097 -0.086623268244 -0.033776665369
  0.364365038726 -0.169078198556 -0.068076179795
  0.307543462799 -0.210081523223 -0.089038184190
  0.080427898881  0.026395820450  0.011706581483
 -0.002091178368  0.532900665336  0.332611905854
  0.003317387420  0.503049693043  0.469019920955
 -0.001365599061  0.088547839963 -0.175462242001
  0.000409057060 -0.001360684836 -0.724233401090
 -0.000327162171  0.002377421401 -0.377616664090
  0.000091096195 -0.000340126289 -0.011336170604
  0.000007661594 -0.000095964264  0.007839470520
   15    2
 84.801106930000  8.758058690000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436779 -0.000006206287
 -0.000246404751 -0.000093692632
 -0.001889037110 -0.000716229269
 -0.009965070177 -0.003823765445
 -0.039612756329 -0.015363215755
 -0.119509643955 -0.048155158164
 -0.263340008926 -0.110465858962
 -0.386825495596 -0.174984245253
 -0.293029213638 -0.095793247406
 -0.071888509159  0.248275070471
 -0.001972508714  0.516984926573
 -0.001439486494  0.352873270316
  0.000194845962  0.048665867294
 -0.000069369489 -0.007426031029
  0.000029686852  0.000273009891
    9    1
  2.182054506000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572667757
  0.005769950163
  0.029831719548
  0.099664699248
  0.223437495137
  0.332581244785
  0.346294214698
  0.239689774111
  0.058163606683
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Yb3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Yb3Ga5O12 with orthogonality orbitals
     3.0   2
* s-type functions
   20    1
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
 -0.000001668443
 -0.000017182635
 -0.000067794415
  0.000042484335
 -0.000170384125
 -0.000435799877
 -0.001623686849
 -0.004925750045
 -0.013778165684
 -0.033776665369
 -0.068076179795
 -0.089038184190
  0.011706581483
  0.332611905854
  0.469019920955
 -0.175462242001
 -0.724233401090
 -0.377616664090
 -0.011336170604
  0.007839470520
* p-type functions
   15    1
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000006206287
 -0.000093692632
 -0.000716229269
 -0.003823765445
 -0.015363215755
 -0.048155158164
 -0.110465858962
 -0.174984245253
 -0.095793247406
  0.248275070471
  0.516984926573
  0.352873270316
  0.048665867294
 -0.007426031029
  0.000273009891
* d-type functions
    9    1
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572667757
  0.005769950163
  0.029831719548
  0.099664699248
  0.223437495137
  0.332581244785
  0.346294214698
  0.239689774111
  0.058163606683
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0095000000e5  6.6625000000e4  1.6567000000e4  4.8336000000e3  1.5945000000e3  5.7299000000e2  2.0187000000e2 76.899000000000 34.795000000000 10.349700000000  4.758700000000
  2.085100000000  0.836220000000
  0.071313774840  0.080560556580  0.143844371700  0.247500286400  0.401021959300  0.529108281400  0.639246257300  1.249801822000  1.160235174000  1.244382615000  2.306134990000
  1.103640798000  0.156542448600
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5595054400e2 95.975956300000 12.538908710000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279743 -0.000001668443
  0.000131163477 -0.000043089246 -0.000017182635
  0.000530468656 -0.000171734398 -0.000067794415
 -0.000311934862  0.000104662360  0.000042484335
  0.001402142688 -0.000441493339 -0.000170384125
  0.003678573911 -0.001145103167 -0.000435799877
  0.013499433034 -0.004243449309 -0.001623686849
  0.040090959732 -0.012868296317 -0.004925750045
  0.106443009569 -0.035723365278 -0.013778165684
  0.232114703097 -0.086623268244 -0.033776665369
  0.364365038726 -0.169078198556 -0.068076179795
  0.307543462799 -0.210081523223 -0.089038184190
  0.080427898881  0.026395820450  0.011706581483
 -0.002091178368  0.532900665336  0.332611905854
  0.003317387420  0.503049693043  0.469019920955
 -0.001365599061  0.088547839963 -0.175462242001
  0.000409057060 -0.001360684836 -0.724233401090
 -0.000327162171  0.002377421401 -0.377616664090
  0.000091096195 -0.000340126289 -0.011336170604
  0.000007661594 -0.000095964264  0.007839470520
   15    2
 84.801106930000  8.758058690000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000016436779 -0.000006206287
 -0.000246404751 -0.000093692632
 -0.001889037110 -0.000716229269
 -0.009965070177 -0.003823765445
 -0.039612756329 -0.015363215755
 -0.119509643955 -0.048155158164
 -0.263340008926 -0.110465858962
 -0.386825495596 -0.174984245253
 -0.293029213638 -0.095793247406
 -0.071888509159  0.248275070471
 -0.001972508714  0.516984926573
 -0.001439486494  0.352873270316
  0.000194845962  0.048665867294
 -0.000069369489 -0.007426031029
  0.000029686852  0.000273009891
    9    1
  2.182054506000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
  0.000572667757
  0.005769950163
  0.029831719548
  0.099664699248
  0.223437495137
  0.332581244785
  0.346294214698
  0.239689774111
  0.058163606683
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Yb3Ga5O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Yb3Ga5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021764750920 -0.031813006510 -0.065294882390 -0.121897116700 -0.218349290700 -0.384176873300 -0.509900334400 -0.459746529500 -0.757333443900 -1.303726904000 -1.058092691000
 -0.067904176980
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.292406480000  1.941030984000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201979423  0.001317869602
  0.045638750022  0.009595836109
  0.200053942712  0.046726859396
  0.473794731563  0.114671890187
  0.380731784350  0.098511830105
  0.028993808124  0.069150758325
  0.024679186194 -0.463299415188
 -0.005646353921 -0.641187598838
    6    1
  0.481436659200
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013144055270
 -0.085341350553
 -0.248652121295
 -0.437084106428
 -0.510679805269
  0.093296582489
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.14. Lu3Ga5O12 (LuGG)
********************************************************************************
*           E.8.14.a. Lu3Ga5O12
*             /Lu.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Ga5O12-Lu.
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Ga5O12-Ga(oct).
*             /Ga.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Ga5O12-Ga(tet).
*             /Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Lu3Ga5O12-Ga(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Ga5O12-O.
********************************************************************************
*   Structure:
*     F. Euler, J.A. Bruce. Acta Crystallogr. 19 (1965) 971-978. doi:10.1107/s0365110x65004747
*     (Ia-3d; a=12.188 A, x=-0.0252, =0.0570, z=0.1506)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Lu.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Ga5O12-Lu.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Lu(3+) in Lu3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.2836000000e5  1.0787400000e5  3.1866000000e4  1.0573000000e4  3.7929000000e3  1.3819900000e3  5.4842000000e2  2.5470000000e2 87.834000000000 51.254000000000 11.440800000000
  6.053100000000  2.304380000000  1.128680000000  0.629760000000
  0.212980207400  0.200122352700  0.329644813000  0.508003345000  0.679021902800  0.902677237200  1.630065931000  1.465685184000  2.232682332000  3.316473190000  4.445172093000
  3.116346022000  1.949315243000  1.445576457000  0.232900355200
M2
  0
COREREP
 1.0
PROJOP
    3
   27    5
  4.6691948050e3  8.0481035570e2  1.8633708040e2 38.904913610000  4.958311241000
67013119000.00000000
 7216717800.00000000
 1171529200.00000000
  235233120.00000000
   55877724.00000000
   14949778.00000000
    4363017.00000000
    1375340.50000000
     456540.52000000
     160435.37000000
      59637.10400000
      23233.14400000
       9474.04090000
       4032.73130000
       1779.75390000
        807.87768000
        374.92607000
        172.16227000
         81.75905400
         34.04620200
         17.67359800
          7.08409260
          3.47950730
          0.99316525
          0.44583214
        772.13035e-4
        305.33522e-4
 -0.000000244159 -0.000000081509 -0.000000051623  0.000000015327 -0.000000006644
  0.000001120858  0.000000374559  0.000000236647 -0.000000070584  0.000000030564
 -0.000004011432 -0.000001348944 -0.000000839505  0.000000257493 -0.000000110740
  0.000016057859  0.000005559798  0.000003220044 -0.000001123080  0.000000468623
 -0.000595541280 -0.000221485213 -0.000106087671  0.000050449977 -0.000019778323
 -0.000742824110 -0.000280859360 -0.000128808249  0.000065474550 -0.000025369836
 -0.001956849061 -0.000727632357 -0.000351835819  0.000165073771 -0.000064910421
 -0.003949491923 -0.001497905709 -0.000690998523  0.000348563081 -0.000135130134
 -0.008181500880 -0.003073807892 -0.001481830266  0.000700437693 -0.000275568124
 -0.016327091788 -0.006257096701 -0.002933279448  0.001449218321 -0.000561439989
 -0.032284660274 -0.012495627948 -0.005959476526  0.002885518939 -0.001126643334
 -0.063239750938 -0.025221362877 -0.011988780161  0.005864798893 -0.002284568812
 -0.120490529949 -0.050090619882 -0.024128862409  0.011760085921 -0.004583371928
 -0.213403003773 -0.096618156766 -0.046861707095  0.023033801827 -0.008992180504
 -0.315171280207 -0.163496003867 -0.082167499715  0.040358978803 -0.015749051846
 -0.302931793806 -0.195815525624 -0.100636935040  0.050566245214 -0.019841000759
 -0.121186108129  0.010629782216  0.012944291414 -0.008839935049  0.003687585852
 -0.007602093740  0.503632303338  0.431203211157 -0.238273180062  0.095471002867
 -0.000655845650  0.534061703602  0.582641871811 -0.363867201438  0.150227195985
  0.000523977790  0.095857190467 -0.464940275277  0.457441888212 -0.208738150416
 -0.000298543854 -0.014771637422 -0.818861009060  0.986636074654 -0.475253210213
  0.000144190955  0.005047904707 -0.115530382964 -0.614306667079  0.432145870484
 -0.000076426293 -0.002356338000  0.014455219460 -0.857247909552  0.774502001800
  0.000025280687  0.000735567253 -0.003857040287 -0.057477264834 -0.701463237811
 -0.000011435666 -0.000345094410  0.001797958323  0.013021596036 -0.655239818249
  0.000002915318  0.000087034002 -0.000427016653 -0.002461482107 -0.001480390438
 -0.000001435856 -0.000040213128  0.000196253939  0.001145039852  0.005932818680
   23    4
  7.1020658510e2  1.5722216530e2 29.121608980000  2.417973454000
   55602773.00000000
    7765745.90000000
    1589584.30000000
     401810.95000000
     118603.34000000
      39300.00000000
      14430.35400000
       5793.12460000
       2497.82150000
       1143.71730000
        551.39771000
        277.75014000
        145.03033000
         77.44745600
         41.75015500
         23.22694800
         12.93638700
          7.02606490
          3.74450470
          1.89919080
          0.91463474
          0.42267369
          0.17333636
 -0.000001787486  0.000000941646  0.000000369673  0.000000210146
 -0.000029778280  0.000014803242  0.000007475628  0.000002208136
 -0.000077473699  0.000039657016  0.000017830862  0.000007396248
 -0.000219006617  0.000109128664  0.000055186503  0.000016206753
 -0.000590314257  0.000299796594  0.000141846954  0.000052243883
 -0.001617918203  0.000820946407  0.000396169037  0.000137351936
 -0.004448877099  0.002272303445  0.001092134107  0.000385287076
 -0.012330231588  0.006350260291  0.003064257800  0.001074527370
 -0.033632795128  0.017577827270  0.008499406206  0.002995201182
 -0.085361656537  0.045767186164  0.022289998836  0.007832451058
 -0.184634873240  0.103020055956  0.050574538075  0.017890890378
 -0.306178384669  0.179922237713  0.089737180998  0.031620850035
 -0.333940583348  0.192210067712  0.094507604019  0.033678906918
 -0.191850085508 -0.015580183711 -0.030487478891 -0.013344200442
 -0.041369778383 -0.389529362353 -0.292137792060 -0.110384496569
 -0.001846250416 -0.478691757667 -0.385622347769 -0.153326694704
 -0.000145652622 -0.202678556089  0.045195557534  0.049017081774
  0.000133664297 -0.026107523059  0.546137132901  0.272812405009
  0.000015746058 -0.001459505517  0.482008814819  0.306313924121
  0.000006040285 -0.000165612849  0.118275937474 -0.132904061327
 -0.000001375685 -0.000003966157  0.003793282647 -0.520103926355
  0.000000039447  0.000004772445  0.001401357095 -0.515855817200
  0.000000072413 -0.000004889826 -0.000457545047 -0.024369498146
   15    2
  1.2104348830e2 15.885101970000
      16241.49300000
       4278.98820000
       1524.59710000
        640.85771000
        295.56552000
        143.52658000
         71.89617500
         36.65707500
         18.88423700
          9.51045680
          4.62082260
          2.11200860
          0.75168436
          0.25140270
        754.71915e-4
  0.000085227910  0.000041409945
  0.000604051311  0.000295458388
  0.003323691303  0.001623954489
  0.014681189609  0.007257067743
  0.052573806266  0.026160282596
  0.148496089137  0.075638355900
  0.301129890468  0.152371237446
  0.388472857018  0.180768247644
  0.249911873181 -0.020931729076
  0.059008037994 -0.385959687145
  0.003152881546 -0.487175223342
  0.000572924915 -0.223591953497
 -0.000003387534 -0.021293172058
  0.000021559942  0.001560508109
 -0.000006327039 -0.000322913381
   10    1
  1.227374644000
       1573.11130000
        295.92915000
        108.34588000
         47.08844000
         21.82595400
         10.48002400
          4.98865320
          2.30476150
          0.99952257
          0.38102157
 -0.000091146849
 -0.002175035704
 -0.015333652529
 -0.061822105180
 -0.166134043965
 -0.288170048049
 -0.342964997608
 -0.296639091789
 -0.187447186523
 -0.063278531119
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gao(3+) in Lu3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0069000000e5  6.6638000000e4  1.6582000000e4  4.8393000000e3  1.5961000000e3  5.7361000000e2  2.0227000000e2 77.084000000000 34.896000000000 10.409900000000  4.788900000000
  2.105800000000  0.856980000000
  0.071330580240  0.080508443110  0.143725854200  0.247359371600  0.400921118800  0.528846207800  0.638064839900  1.246838178000  1.162926591000  1.231012030000  2.305210024000
  1.115598072000  0.160992022800
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5589385850e2 95.918912660000 12.488719170000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491980 -0.000004279725 -0.000001668288
  0.000131163489 -0.000043089087 -0.000017180220
  0.000530468701 -0.000171733736 -0.000067787040
 -0.000311934842  0.000104662139  0.000042483830
  0.001402143046 -0.000441490016 -0.000170359527
  0.003678574789 -0.001145097533 -0.000435675573
  0.013499437762 -0.004243407440 -0.001623462892
  0.040090968620 -0.012868247172 -0.004924275301
  0.106443056011 -0.035722968411 -0.013776679684
  0.232114764194 -0.086623097590 -0.033765022541
  0.364365328611 -0.169075816425 -0.068074039479
  0.307543332250 -0.210083073181 -0.088986056084
  0.080427666733  0.026406087382  0.011618951776
 -0.002091695793  0.532872149159  0.332728732165
  0.003318222824  0.503070708020  0.468445159393
 -0.001366689581  0.088517253379 -0.174396850457
  0.000410491850 -0.001291224784 -0.725225276724
 -0.000328348076  0.002319815976 -0.376745324687
  0.000091743700 -0.000306706225 -0.012210756065
  0.000007674973 -0.000094730116  0.007848889440
   15    2
 84.744127480000  8.708442063000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
  0.000016436688 -0.000006204842
  0.000246402765 -0.000093679934
  0.001889026220 -0.000716070139
  0.009964992531 -0.003823222817
  0.039612537551 -0.015359776786
  0.119508754486 -0.048148407219
  0.263338666904 -0.110438225364
  0.386818444704 -0.174963780891
  0.293029304347 -0.095741937022
  0.071897989229  0.248063945549
  0.001982050999  0.516949979086
  0.001435616442  0.353052068792
 -0.000191352057  0.048764660997
  0.000068791243 -0.007529225751
 -0.000029802515 -0.000153135487
    9    1
  2.131462092000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
 -0.000572787223
 -0.005772656669
 -0.029838995975
 -0.099710524226
 -0.223471838796
 -0.332804941820
 -0.346386902915
 -0.240997625789
 -0.054740722995
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Lu3Ga5O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0073000000e5  6.6675000000e4  1.6583000000e4  4.8370000000e3  1.5959000000e3  5.7364000000e2  2.0220000000e2 77.031000000000 34.864000000000 10.384900000000  4.774900000000
  2.094900000000  0.844580000000
  0.071316111490  0.080479253580  0.143813608200  0.247416235800  0.400771984600  0.528890170100  0.638489946400  1.247875145000  1.162145165000  1.237102610000  2.306654611000
  1.109953134000  0.158425358500
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5603068400e2 96.056177320000 12.620716670000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279738 -0.000001668483
  0.000131163478 -0.000043089192 -0.000017183156
  0.000530468662 -0.000171734207 -0.000067796317
 -0.000311934856  0.000104662349  0.000042486433
  0.001402142729 -0.000441492644 -0.000170382983
  0.003678574105 -0.001145100039 -0.000435802918
  0.013499433513 -0.004243442502 -0.001623641853
  0.040090961962 -0.012868260018 -0.004925827394
  0.106443013690 -0.035723316006 -0.013777649248
  0.232114720911 -0.086622994158 -0.033777600097
  0.364365063383 -0.169078069822 -0.068072051365
  0.307543488849 -0.210080431761 -0.089046237711
  0.080427749256  0.026394700250  0.011730794931
 -0.002091042169  0.532900916844  0.332547164039
  0.003317205649  0.503040845653  0.469115547073
 -0.001365316361  0.088564262111 -0.175629046206
  0.000408736376 -0.001374120521 -0.723825879407
 -0.000326919143  0.002389945847 -0.378196302925
  0.000090790509 -0.000357364038 -0.010607035070
  0.000007868709 -0.000084409094  0.007397200537
   15    2
 84.881333770000  8.840454544000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
  0.000016436737 -0.000006206304
  0.000246404118 -0.000093688295
  0.001889032254 -0.000716227159
  0.009965044502 -0.003823598031
  0.039612654106 -0.015363157151
  0.119509336421 -0.048152835397
  0.263339292486 -0.110466175609
  0.386823778437 -0.174970357065
  0.293028755509 -0.095810235979
  0.071892440391  0.248280189456
  0.001973924750  0.516883054876
  0.001440114478  0.353114028831
 -0.000195243174  0.048518387354
  0.000067935846 -0.007635734441
 -0.000028725602  0.000421758023
    9    1
  2.264373222000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
 -0.000572730827
 -0.005771221084
 -0.029835429752
 -0.099686399110
 -0.223458168905
 -0.332682813623
 -0.346319356255
 -0.240183907131
 -0.056832415269
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.EMB-AIMP.Seijo.20s15p9d.1s1p1d.ECP.Lu3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Gat(3+) in Lu3Ga5O12 with orthogonality orbitals
     3.0   2
* s-type functions
   20    1
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
 -0.000001668483
 -0.000017183156
 -0.000067796317
  0.000042486433
 -0.000170382983
 -0.000435802918
 -0.001623641853
 -0.004925827394
 -0.013777649248
 -0.033777600097
 -0.068072051365
 -0.089046237711
  0.011730794931
  0.332547164039
  0.469115547073
 -0.175629046206
 -0.723825879407
 -0.378196302925
 -0.010607035070
  0.007397200537
* p-type functions
   15    1
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
 -0.000006206304
 -0.000093688295
 -0.000716227159
 -0.003823598031
 -0.015363157151
 -0.048152835397
 -0.110466175609
 -0.174970357065
 -0.095810235979
  0.248280189456
  0.516883054876
  0.353114028831
  0.048518387354
 -0.007635734441
  0.000421758023
* d-type functions
    9    1
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
 -0.000572730827
 -0.005771221084
 -0.029835429752
 -0.099686399110
 -0.223458168905
 -0.332682813623
 -0.346319356255
 -0.240183907131
 -0.056832415269
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.0073000000e5  6.6675000000e4  1.6583000000e4  4.8370000000e3  1.5959000000e3  5.7364000000e2  2.0220000000e2 77.031000000000 34.864000000000 10.384900000000  4.774900000000
  2.094900000000  0.844580000000
  0.071316111490  0.080479253580  0.143813608200  0.247416235800  0.400771984600  0.528890170100  0.638489946400  1.247875145000  1.162145165000  1.237102610000  2.306654611000
  1.109953134000  0.158425358500
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5603068400e2 96.056177320000 12.620716670000
   70959040.00000000
    7603324.00000000
    1319240.00000000
     302670.50000000
      83251.81000000
      25933.12000000
       8976.54700000
       3372.09600000
       1348.62000000
        567.55490000
        248.18870000
        111.67490000
         49.24165000
         23.27517000
         11.08148000
          4.89935200
          2.30082100
          1.02658200
          0.20922290
          0.07348584
  0.000013491979 -0.000004279738 -0.000001668483
  0.000131163478 -0.000043089192 -0.000017183156
  0.000530468662 -0.000171734207 -0.000067796317
 -0.000311934856  0.000104662349  0.000042486433
  0.001402142729 -0.000441492644 -0.000170382983
  0.003678574105 -0.001145100039 -0.000435802918
  0.013499433513 -0.004243442502 -0.001623641853
  0.040090961962 -0.012868260018 -0.004925827394
  0.106443013690 -0.035723316006 -0.013777649248
  0.232114720911 -0.086622994158 -0.033777600097
  0.364365063383 -0.169078069822 -0.068072051365
  0.307543488849 -0.210080431761 -0.089046237711
  0.080427749256  0.026394700250  0.011730794931
 -0.002091042169  0.532900916844  0.332547164039
  0.003317205649  0.503040845653  0.469115547073
 -0.001365316361  0.088564262111 -0.175629046206
  0.000408736376 -0.001374120521 -0.723825879407
 -0.000326919143  0.002389945847 -0.378196302925
  0.000090790509 -0.000357364038 -0.010607035070
  0.000007868709 -0.000084409094  0.007397200537
   15    2
 84.881333770000  8.840454544000
      49597.56000000
       8521.69500000
       2303.89900000
        783.03950000
        305.54940000
        131.16530000
         60.06042000
         28.47848000
         13.71275000
          6.35991600
          2.90384900
          1.27024500
          0.48107990
          0.15285910
          0.04856343
  0.000016436737 -0.000006206304
  0.000246404118 -0.000093688295
  0.001889032254 -0.000716227159
  0.009965044502 -0.003823598031
  0.039612654106 -0.015363157151
  0.119509336421 -0.048152835397
  0.263339292486 -0.110466175609
  0.386823778437 -0.174970357065
  0.293028755509 -0.095810235979
  0.071892440391  0.248280189456
  0.001973924750  0.516883054876
  0.001440114478  0.353114028831
 -0.000195243174  0.048518387354
  0.000067935846 -0.007635734441
 -0.000028725602  0.000421758023
    9    1
  2.264373222000
        457.91230000
        128.54330000
         48.13583000
         20.16190000
          9.03733800
          4.12206900
          1.83564500
          0.77932260
          0.29996760
 -0.000572730827
 -0.005771221084
 -0.029835429752
 -0.099686399110
 -0.223458168905
 -0.332682813623
 -0.346319356255
 -0.240183907131
 -0.056832415269
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Lu3Ga5O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Lu3Ga5O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021762363290 -0.031812791240 -0.065282995930 -0.121901956500 -0.218304034000 -0.384195865300 -0.509777742200 -0.459858908200 -0.756934901900 -1.303128409000 -1.059077120000
 -0.067962912210
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.322792000000  1.970580503000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006202003391  0.001317047811
  0.045638971412  0.009587059270
  0.200054782537  0.046707348476
  0.473798951933  0.114442480875
  0.380735339336  0.097920434372
  0.028990657889  0.069573318491
  0.024663311154 -0.461841746546
 -0.005638938379 -0.642417956738
    6    1
  0.511144663500
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013146643260
 -0.085350458599
 -0.248718247645
 -0.436635713902
 -0.511767642321
  0.094855873923
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.15. Mg3Al2Si3O12 (Pyrope)
********************************************************************************
*           E.8.15.a. Mg3Al2Si3O12
*             /Mg.EMB-AIMP.Seijo.0s.0s.ECP.Mg3Al2Si3O12-Mg.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Mg3Al2Si3O12-Al(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Mg3Al2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Mg3Al2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Mg3Al2Si3O12-O.
********************************************************************************
*   Structure:
*     J. Ganguly, W. Cheng, H.St.C. O'Neill. Am. Mineral. 78 (1993) 583-593.
*     (Ia-3d; a=11.4566 A, x=-0.0329, =0.0501, z=0.1528)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Mg.EMB-AIMP.Seijo.0s.0s.ECP.Mg3Al2Si3O12-Mg.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Mg(2+) in Pyrope
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.1232000000e5  6.8483000000e4  1.6627000000e4  4.6826000000e3  1.4983000000e3  5.2747000000e2  2.0146000000e2 81.740000000000 32.276000000000 12.383200000000  5.592200000000
  2.678500000000  1.292640000000
  0.028127078670  0.031914339030  0.057977394440  0.098932535960  0.163904112400  0.267686545000  0.402313173900  0.473807880300  0.442673690200  0.759479148400  1.189740136000
  0.884103887400  0.199340078800
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
 97.985889090000  7.273535108000
    1694068.00000000
     192336.90000000
      39966.58000000
      10658.15000000
       3203.17800000
       1064.46700000
        385.24090000
        149.66940000
         61.39625000
         26.30771000
         11.48114000
          4.16401400
          1.75389900
          0.71374240
          0.11313050
          0.04072101
 -0.000001411768 -0.000000606195
 -0.000186592765 -0.000047163906
 -0.000489946505 -0.000124309235
 -0.001669892010 -0.000424771293
 -0.005687148327 -0.001447727198
 -0.018912858843 -0.004876658649
 -0.056922082493 -0.014945232594
 -0.146417696366 -0.040842537704
 -0.294806938184 -0.092161640413
 -0.383378551759 -0.160947533125
 -0.223252043387 -0.132334582343
 -0.025285323306  0.220683379581
  0.002153181169  0.577103097573
 -0.001170813540  0.358194895651
  0.000228488274  0.001315738755
 -0.000088911526 -0.003420000738
   11    1
  4.293130115000
       1213.44400000
        274.66330000
         87.11188000
         32.75345000
         13.63020000
          6.03971800
          2.74552300
          1.23835000
          0.90131990
          0.58515990
          0.23001770
 -0.000248215232
 -0.002072510560
 -0.010895371946
 -0.041616847369
 -0.116805727042
 -0.240995252991
 -0.331835127759
 -0.399857462594
  0.129215145855
 -0.225500825567
  0.009313845506
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.0s.0s.ECP.Mg3Al2Si3O12-Al(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alo(3+) in Pyrope
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7297117000e5  5.7385375500e4  1.3169308000e4  3.6194375900e3  1.1480069300e3  3.9467781500e2  1.4950699700e2 60.264838300000 23.410663800000  9.773332000000  4.340800000000
  1.918320000000
  0.021963588450  0.026686473770  0.049212062910  0.083449245860  0.141701396200  0.235443380600  0.317305095500  0.307316996400  0.353410195600  0.754252366100  0.827279392600
  0.215313139300
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1670846420e2  9.459996266000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666351119  0.001487840622
  0.042199093179  0.011045751545
  0.190347944822  0.054825372879
  0.462101675941  0.145002592899
  0.382410062902  0.139959156514
  0.043232232444  0.072618630352
  0.051316847595 -0.609577397595
  0.066822230707 -0.574388995916
 -0.089537859331  0.062050368263
 -0.002730230891  0.001008559002
  0.001037001394  0.007581280990
    8    1
  6.111719382000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
  0.013946350431
  0.091702909795
  0.297644301119
  0.499781491632
  0.313437867231
  0.010447282420
 -0.011322498502
  0.002042158558
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.0s.0s.ECP.Mg3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Sit(4+) in Pyrope
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8793417000e5  6.1523175500e4  1.4482208000e4  4.0379075900e3  1.2872869300e3  4.5223881500e2  1.7212399700e2 67.243038300000 23.864563800000  9.879262000000  4.576520000000
  2.232440000000
  0.017565603620  0.020729405500  0.037882084470  0.064594893120  0.108508790400  0.176527709800  0.245196713400  0.246772205700  0.334963411400  0.635211768300  0.511704692000
  0.100342722200
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3805286180e2 12.551202370000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098668  0.000010897253
 -0.000053217888  0.000013908415
 -0.000449388973  0.000120139996
 -0.001979101361  0.000529573156
 -0.007581483142  0.002034988275
 -0.024909348996  0.006780174319
 -0.071381827131  0.019959237010
 -0.171135183129  0.051352385211
 -0.314706788747  0.108751109169
 -0.361814657915  0.172695855609
 -0.180652875285  0.112189096789
 -0.018742868955 -0.270841986679
  0.001462345620 -0.567467942001
 -0.001062727759 -0.325674796637
  0.000310288704  0.002244934787
  0.000006593829  0.010127278571
   11    1
  8.806286353000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231178526
 -0.002626187522
 -0.015854400689
 -0.064188654571
 -0.180393421414
 -0.333194200630
 -0.391466456353
 -0.214646028731
 -0.021773984267
  0.013763194864
 -0.001925670327
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Mg3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Sit(4+) in Pyrope with orthogonality orbitals
     4.0   1
* s-type functions
   16    1
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
  0.000010897253
  0.000013908415
  0.000120139996
  0.000529573156
  0.002034988275
  0.006780174319
  0.019959237010
  0.051352385211
  0.108751109169
  0.172695855609
  0.112189096789
 -0.270841986679
 -0.567467942001
 -0.325674796637
  0.002244934787
  0.010127278571
* p-type functions
   11    1
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231178526
 -0.002626187522
 -0.015854400689
 -0.064188654571
 -0.180393421414
 -0.333194200630
 -0.391466456353
 -0.214646028731
 -0.021773984267
  0.013763194864
 -0.001925670327
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8793417000e5  6.1523175500e4  1.4482208000e4  4.0379075900e3  1.2872869300e3  4.5223881500e2  1.7212399700e2 67.243038300000 23.864563800000  9.879262000000  4.576520000000
  2.232440000000
  0.017565603620  0.020729405500  0.037882084470  0.064594893120  0.108508790400  0.176527709800  0.245196713400  0.246772205700  0.334963411400  0.635211768300  0.511704692000
  0.100342722200
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3805286180e2 12.551202370000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098668  0.000010897253
 -0.000053217888  0.000013908415
 -0.000449388973  0.000120139996
 -0.001979101361  0.000529573156
 -0.007581483142  0.002034988275
 -0.024909348996  0.006780174319
 -0.071381827131  0.019959237010
 -0.171135183129  0.051352385211
 -0.314706788747  0.108751109169
 -0.361814657915  0.172695855609
 -0.180652875285  0.112189096789
 -0.018742868955 -0.270841986679
  0.001462345620 -0.567467942001
 -0.001062727759 -0.325674796637
  0.000310288704  0.002244934787
  0.000006593829  0.010127278571
   11    1
  8.806286353000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231178526
 -0.002626187522
 -0.015854400689
 -0.064188654571
 -0.180393421414
 -0.333194200630
 -0.391466456353
 -0.214646028731
 -0.021773984267
  0.013763194864
 -0.001925670327
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Mg3Al2Si3O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Pyrope
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021756759530 -0.031952644040 -0.065279502030 -0.122292659900 -0.218322035900 -0.385315165500 -0.509739977800 -0.463710220500 -0.753962722000 -1.332107201000 -1.036832089000
 -0.058729023030
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.596679840000  2.314636588000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201587984  0.001316099586
  0.045637093574  0.009611705763
  0.200035819389  0.046557685446
  0.473816287449  0.116095007871
  0.380938041203  0.103669196940
  0.028784661478  0.064178114085
  0.024669901545 -0.466388849840
 -0.005557759910 -0.639110736455
    6    1
  0.807520628700
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013122476452
 -0.086143017113
 -0.246341611215
 -0.452626749259
 -0.489399368815
  0.081662319567
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.16. Ca3Al2Si3O12 (Grossular)
********************************************************************************
*           E.8.16.a. Ca3Al2Si3O12
*             /Ca.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Al2Si3O12-Ca.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Al2Si3O12-Al(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Al2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Ca3Al2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Al2Si3O12-O.
********************************************************************************
*   Structure:
*     J. Ganguly, W. Cheng, H.St.C. O'Neill. Am. Mineral. 78 (1993) 583-593.
*     (Ia-3d; a=11.8515 A, x=-0.0376, =0.0454, z=0.1513)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Ca.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Al2Si3O12-Ca.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Ca(2+) in Grossular
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.8635000000e5  6.1202000000e4  1.4665000000e4  4.1567000000e3  1.3354000000e3  4.7443000000e2  1.7880000000e2 63.686000000000 25.985000000000 12.284300000000  3.308300000000
  1.667500000000  0.851380000000  0.443900000000
  0.060241666980  0.070858250780  0.127133801900  0.219690077900  0.367518105000  0.554068798100  0.635442982800  0.796719566800  1.546930236000  1.311199086000  0.678854727000
  1.696990876000  0.897843204800  0.036508620620
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  2.9948272330e2 33.182138470000  3.758210241000
   15429060.00000000
    1717766.00000000
     325290.80000000
      83104.29000000
      25219.11000000
       8662.80000000
       3220.96700000
       1283.73800000
        543.45920000
        240.83900000
        109.96770000
         51.34453000
         24.28419000
         10.50093000
          4.92292300
          2.34060700
          0.92145250
          0.38267100
          0.06533290
          0.02618455
 -0.000027810227 -0.000008190329 -0.000002790034
 -0.000115765886 -0.000033740843 -0.000011831932
 -0.000336266174 -0.000098686855 -0.000033823427
 -0.000900926606 -0.000264431137 -0.000091367894
 -0.002361578501 -0.000694273036 -0.000238810215
 -0.006274386683 -0.001856490870 -0.000642443621
 -0.017042366381 -0.005074910926 -0.001744749802
 -0.044365303899 -0.013531689549 -0.004708046190
 -0.105346251863 -0.033385852591 -0.011523904317
 -0.214806007949 -0.075063470827 -0.026584548823
 -0.335646271753 -0.140368055483 -0.049717807796
 -0.309851826257 -0.186539130949 -0.071181823688
 -0.112211350477 -0.043744452863 -0.014051993921
 -0.007663371968  0.400520974754  0.181639565196
 -0.000347887872  0.569368094600  0.442602395661
  0.000033763313  0.176334509111  0.097726586615
  0.000044459414  0.007776041520 -0.689503578638
  0.000013227902  0.000688272206 -0.547563692115
  0.000001063461 -0.000160980616  0.004415603180
 -0.000000680645  0.000070505702  0.002974576322
   15    2
 26.535627180000  1.920145691000
      51912.48000000
       8887.83300000
       2423.37000000
        833.83440000
        329.65730000
        142.47560000
         65.46554000
         31.43317000
         15.49410000
          7.76511500
          3.92498500
          1.92437000
          0.91383950
          0.42021050
          0.17575970
 -0.000014571396 -0.000004788871
 -0.000084901330 -0.000027631885
 -0.000435547247 -0.000144245552
 -0.001990461751 -0.000647598834
 -0.007867999457 -0.002626118692
 -0.026522272807 -0.008747840243
 -0.075265906065 -0.025894159515
 -0.171403215278 -0.059279267118
 -0.294463964204 -0.108860076708
 -0.349416179814 -0.131186208406
 -0.222266113329 -0.065017761423
 -0.049849789350  0.232970179611
 -0.001396364049  0.438505826524
 -0.000685292889  0.436522407537
 -0.000227932017  0.041386188361
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Al2Si3O12-Al(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alo(3+) in Grossular
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7297117000e5  5.7385375500e4  1.3169308000e4  3.6194375900e3  1.1480069300e3  3.9467781500e2  1.4950699700e2 60.264838300000 23.410663800000  9.773332000000  4.340800000000
  1.918320000000
  0.021984407960  0.026646015780  0.049179352490  0.083526429070  0.141424192300  0.235863923200  0.316307631200  0.308767293300  0.350500084100  0.758417187700  0.820041446200
  0.220675369900
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1695545800e2  9.706448037000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666372084  0.001486569470
  0.042199411132  0.011031005118
  0.190348441753  0.054796891503
  0.462111997565  0.144557080289
  0.382431590272  0.138688964462
  0.043212491459  0.073499678236
  0.051215513934 -0.603932017424
  0.066211333855 -0.529446132774
 -0.088906038732  0.019308297155
 -0.002572160460 -0.014638871064
  0.000988025335  0.011745282150
    8    1
  6.350654149000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013940003069
 -0.091714799472
 -0.297453278953
 -0.500130017892
 -0.311247955739
 -0.012512339493
  0.005356023242
  0.000558801163
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Si(4+) in Grossular
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8681417000e5  6.1239175500e4  1.4384208000e4  4.0042075900e3  1.2753869300e3  4.4782881500e2  1.7035399700e2 66.428038300000 23.525563800000  9.759862000000  4.512820000000
  2.160540000000
  0.017592208180  0.020799510200  0.038057285250  0.064929647350  0.109095335900  0.177467861300  0.245918498300  0.246877546000  0.339073414800  0.637669068300  0.508579828900
  0.093939795490
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3827751430e2 12.783462370000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098713  0.000010880601
 -0.000053217738  0.000013902576
 -0.000449393580  0.000119917275
 -0.001979089064  0.000529372168
 -0.007581598787  0.002030364867
 -0.024909065003  0.006780795041
 -0.071383472092  0.019902210848
 -0.171131797088  0.051396681027
 -0.314720041079  0.108300326250
 -0.361788857823  0.173273691620
 -0.180699613254  0.110407716511
 -0.018639087346 -0.266631575008
  0.001302734997 -0.574227214327
 -0.000901334318 -0.314657453194
  0.000152115913 -0.010894388451
  0.000035384051  0.011987032024
   11    1
  9.023092737000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
  0.000231228057
  0.002624762046
  0.015857912907
  0.064151715226
  0.180471081703
  0.332856158675
  0.391917608477
  0.213091611165
  0.022788663130
 -0.009416167594
  0.000317595102
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Ca3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Si(4+) in Grossular with orthogonality orbitals
     4.0   1
* s-type functions
   16    1
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
  0.000010880601
  0.000013902576
  0.000119917275
  0.000529372168
  0.002030364867
  0.006780795041
  0.019902210848
  0.051396681027
  0.108300326250
  0.173273691620
  0.110407716511
 -0.266631575008
 -0.574227214327
 -0.314657453194
 -0.010894388451
  0.011987032024
* p-type functions
   11    1
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
  0.000231228057
  0.002624762046
  0.015857912907
  0.064151715226
  0.180471081703
  0.332856158675
  0.391917608477
  0.213091611165
  0.022788663130
 -0.009416167594
  0.000317595102
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8681417000e5  6.1239175500e4  1.4384208000e4  4.0042075900e3  1.2753869300e3  4.4782881500e2  1.7035399700e2 66.428038300000 23.525563800000  9.759862000000  4.512820000000
  2.160540000000
  0.017592208180  0.020799510200  0.038057285250  0.064929647350  0.109095335900  0.177467861300  0.245918498300  0.246877546000  0.339073414800  0.637669068300  0.508579828900
  0.093939795490
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3827751430e2 12.783462370000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098713  0.000010880601
 -0.000053217738  0.000013902576
 -0.000449393580  0.000119917275
 -0.001979089064  0.000529372168
 -0.007581598787  0.002030364867
 -0.024909065003  0.006780795041
 -0.071383472092  0.019902210848
 -0.171131797088  0.051396681027
 -0.314720041079  0.108300326250
 -0.361788857823  0.173273691620
 -0.180699613254  0.110407716511
 -0.018639087346 -0.266631575008
  0.001302734997 -0.574227214327
 -0.000901334318 -0.314657453194
  0.000152115913 -0.010894388451
  0.000035384051  0.011987032024
   11    1
  9.023092737000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
  0.000231228057
  0.002624762046
  0.015857912907
  0.064151715226
  0.180471081703
  0.332856158675
  0.391917608477
  0.213091611165
  0.022788663130
 -0.009416167594
  0.000317595102
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Al2Si3O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-)  in Grossular
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021755366410 -0.031922525090 -0.065315267930 -0.122132395600 -0.218500042300 -0.384803743600 -0.510278470000 -0.461764922300 -0.756876527800 -1.323231308000 -1.040771438000
 -0.062647993730
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.308857620000  2.006756386000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201700660  0.001319399838
  0.045637367679  0.009637176604
  0.200041108381  0.046672234517
  0.473802052465  0.116477636974
  0.380854380583  0.104205633654
  0.028870617743  0.064161933651
  0.024696410600 -0.470587894677
 -0.005610097073 -0.635401086762
    6    1
  0.512899458800
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013127321176
 -0.085829784534
 -0.247123227011
 -0.448194117988
 -0.493161610211
  0.079450087883
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.17. Mn3Al2Si3O12 (Spessartine)
********************************************************************************
*           E.8.17.a. Mn3Al2Si3O12
*             /Mn.EMB-AIMP.Seijo.0s.0s.ECP.Mn3Al2Si3O12-Mn.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Mn3Al2Si3O12-Al(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Mn3Al2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Mn3Al2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Mn3Al2Si3O12-O.
********************************************************************************
*   Structure:
*     C.A. Geiger, T. Armbruster. Am. Mineral. 82 (1997) 740-747. doi:10.2138/am-1997-7-811
*     (Ia-3d; a=11.6190 A, x=-0.03491, =0.04791, z=0.1525)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Mn.EMB-AIMP.Seijo.0s.0s.ECP.Mn3Al2Si3O12-Mn.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Mn(2+) in Mn3Al2Si3O12 (Spessartine)
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.1978000000e5  1.0359800000e5  2.9595000000e4  9.5050000000e3  3.3397000000e3  1.2642900000e3  5.0810000000e2  2.0567000000e2 79.138000000000 35.213000000000 16.803300000000
  4.748900000000  2.231380000000  0.888130000000  0.333800000000
  0.067478723210  0.064676051180  0.108807905000  0.179140081400  0.289365918500  0.448757948500  0.604916439400  0.662674365800  1.055736459000  1.821395721000  0.991173792200
  1.872102944000  2.346776084000  0.820852150500  0.166145416800
M2
  0
COREREP
 1.0
PROJOP
    2
   20    4    2    2    2    0
  4.8476217580e2 58.865783610000  7.419214715000 -0.999185920200
   16703496.00000000
    1869011.50000000
     339227.63000000
      81300.73600000
      23685.41900000
       7984.17590000
       3026.37260000
       1252.08320000
        547.09397000
        248.25246000
        116.46300000
         55.81182800
         25.81883000
         12.57469400
          6.16163070
          2.78226940
          1.31192020
          0.58899907
          0.10974191
        396.30428e-4
 -0.000033364706 -0.000010181060 -0.000003679539  0.000000810317
 -0.000214683893 -0.000065786891 -0.000024463194  0.000003354959
 -0.000614470367 -0.000188196141 -0.000069703325  0.000023855435
 -0.001747002312 -0.000536458090 -0.000198910850  0.000056863347
 -0.004640694949 -0.001430592398 -0.000530704925  0.000158604340
 -0.012141886671 -0.003772637851 -0.001400257309  0.000415752560
 -0.030650121014 -0.009669266636 -0.003597864939  0.001062948470
 -0.073490032319 -0.023937949499 -0.008931224062  0.002670277179
 -0.159725898747 -0.055573266916 -0.020928105773  0.006166454519
 -0.283039367164 -0.112960830605 -0.043172461598  0.013012958841
 -0.342564214685 -0.178177573918 -0.070686916575  0.020787377487
 -0.212092855160 -0.151563886160 -0.063066635518  0.019861782562
 -0.038396595995  0.143767109655  0.067423924931 -0.022601878282
  0.000733666715  0.554801639004  0.353221227180 -0.109051120721
 -0.000997473323  0.416223547951  0.404912951333 -0.144836068243
  0.000439968035  0.060717911287 -0.245188951918  0.115583449405
 -0.000140126125 -0.000670535675 -0.720074261246  0.310018580126
  0.000055472754  0.001359619053 -0.331410469046  0.369252092532
 -0.000008801029 -0.000172177251 -0.003343845843 -1.652602086827
  0.000003898284  0.000044967443  0.003833182727  0.552814783737
   15    2
 49.583075880000  4.629569926000
      48651.15400000
       8367.38130000
       2285.29100000
        786.35173000
        310.87259000
        134.69393000
         62.34761300
         30.31535300
         15.40031900
          8.22925470
          4.64583240
          2.59833470
          0.28611961
          0.66928457
          1.37047450
 -0.000038080893  0.000013827418
 -0.000222380389  0.000080673818
 -0.001135936514  0.000414100954
 -0.005106369652  0.001862199459
 -0.019402036695  0.007167747369
 -0.061016612009  0.022873519405
 -0.151921482261  0.059173453562
 -0.278019294960  0.112031348899
 -0.342647892177  0.148386342899
 -0.237107767114  0.080449111222
 -0.082738305273 -0.092291864268
 -0.015150973054 -0.320675115683
 -0.000014430320 -0.032691795392
 -0.000547170558 -0.287931140980
 -0.000741300001 -0.422414923717
    9    1    5
 -0.156888608000
        201.13773000
         59.69776700
         22.71220600
          9.55081160
          4.27919420
          1.94927700
          0.87236600
          0.37511423
          0.14742170
  0.000871753956
  0.007321482080
  0.032298371234
  0.099618580724
  0.208177321013
  0.309354047080
  0.315949581313
  0.284399845377
  0.116603209942
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.0s.0s.ECP.Mn3Al2Si3O12-Al(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Al(3+) in Mn3Al2Si3O12 (Spessartine)
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7297117000e5  5.7385375500e4  1.3169308000e4  3.6194375900e3  1.1480069300e3  3.9467781500e2  1.4950699700e2 60.264838300000 23.410663800000  9.773332000000  4.340800000000
  1.918320000000
  0.021984427780  0.026644561820  0.049181421050  0.083519374940  0.141434186800  0.235838867100  0.316345284100  0.308689244000  0.350601684300  0.758177233200  0.820256449600
  0.220660598700
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1691042820e2  9.661359676000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666375657  0.001486572950
  0.042199412384  0.011031604989
  0.190348652934  0.054795039553
  0.462111044802  0.144592083693
  0.382427336810  0.138811111069
  0.043216533624  0.073398647289
  0.051224619103 -0.604519292967
  0.066277641440 -0.534560114703
 -0.088974038626  0.024353498617
 -0.002584204913 -0.013719521411
  0.000988315398  0.011980878182
    8    1
  6.305856230000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
 -0.013939383263
 -0.091706537705
 -0.297445280101
 -0.500043166541
 -0.311354002106
 -0.012841076622
  0.006188589619
  0.000378730184
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.0s.0s.ECP.Mn3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Si(4+) in Mn3Al2Si3O12 (Spessartine)
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8612417000e5  6.1183175500e4  1.4380208000e4  4.0040075900e3  1.2750869300e3  4.4770881500e2  1.7031399700e2 66.395038300000 23.504563800000  9.751362000000  4.509020000000
  2.160340000000
  0.017605476780  0.020796365330  0.038049566830  0.064933547750  0.109124928200  0.177478478300  0.245946212800  0.246963063400  0.339369889400  0.637951138600  0.507987967400
  0.093793365090
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3824940990e2 12.754827680000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098713  0.000010881833
 -0.000053217804  0.000013901685
 -0.000449393560  0.000119926170
 -0.001979091391  0.000529354331
 -0.007581595959  0.002030571224
 -0.024909104179  0.006780341638
 -0.071383410523  0.019905064417
 -0.171132196928  0.051390430561
 -0.314719433001  0.108325814400
 -0.361791316307  0.173222121036
 -0.180695583291  0.110526167677
 -0.018645276746 -0.266925892530
  0.001313964399 -0.573631547218
 -0.000912972668 -0.315435878029
  0.000161043625 -0.010401022774
  0.000036486347  0.012268193006
   11    1
  8.995332738000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231212278
 -0.002624604645
 -0.015856818899
 -0.064147815801
 -0.180458028701
 -0.332834681156
 -0.391870879472
 -0.213131270422
 -0.023089817545
  0.009889181942
 -0.000395842510
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Mn3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Si(4+) in Mn3Al2Si3O12 (Spessartine) with orthogonality orbitals
     4.0   1
* s-type functions
   16    1
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
  0.000010881833
  0.000013901685
  0.000119926170
  0.000529354331
  0.002030571224
  0.006780341638
  0.019905064417
  0.051390430561
  0.108325814400
  0.173222121036
  0.110526167677
 -0.266925892530
 -0.573631547218
 -0.315435878029
 -0.010401022774
  0.012268193006
* p-type functions
   11    1
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231212278
 -0.002624604645
 -0.015856818899
 -0.064147815801
 -0.180458028701
 -0.332834681156
 -0.391870879472
 -0.213131270422
 -0.023089817545
  0.009889181942
 -0.000395842510
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8612417000e5  6.1183175500e4  1.4380208000e4  4.0040075900e3  1.2750869300e3  4.4770881500e2  1.7031399700e2 66.395038300000 23.504563800000  9.751362000000  4.509020000000
  2.160340000000
  0.017605476780  0.020796365330  0.038049566830  0.064933547750  0.109124928200  0.177478478300  0.245946212800  0.246963063400  0.339369889400  0.637951138600  0.507987967400
  0.093793365090
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3824940990e2 12.754827680000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098713  0.000010881833
 -0.000053217804  0.000013901685
 -0.000449393560  0.000119926170
 -0.001979091391  0.000529354331
 -0.007581595959  0.002030571224
 -0.024909104179  0.006780341638
 -0.071383410523  0.019905064417
 -0.171132196928  0.051390430561
 -0.314719433001  0.108325814400
 -0.361791316307  0.173222121036
 -0.180695583291  0.110526167677
 -0.018645276746 -0.266925892530
  0.001313964399 -0.573631547218
 -0.000912972668 -0.315435878029
  0.000161043625 -0.010401022774
  0.000036486347  0.012268193006
   11    1
  8.995332738000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231212278
 -0.002624604645
 -0.015856818899
 -0.064147815801
 -0.180458028701
 -0.332834681156
 -0.391870879472
 -0.213131270422
 -0.023089817545
  0.009889181942
 -0.000395842510
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Mn3Al2Si3O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-)  in Mn3Al2Si3O12 (Spessartine)
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021739459290 -0.031889839540 -0.065281066240 -0.121993844600 -0.218413161900 -0.384385239500 -0.510085088200 -0.460516180000 -0.755792879900 -1.315541769000 -1.049120896000
 -0.065240575320
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.326185180000  2.019529169000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201807698  0.001317810845
  0.045638251616  0.009618147817
  0.200045203506  0.046641991788
  0.473815740476  0.115918072621
  0.380851722674  0.102642725155
  0.028873047713  0.065337901235
  0.024627060238 -0.467213402588
 -0.005552026250 -0.638225878433
    6    1
  0.521571470000
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013093747312
 -0.085514365126
 -0.246775044285
 -0.445211051449
 -0.496879138406
  0.078844588982
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.18. Fe3Al2Si3O12 (Almandine)
********************************************************************************
*           E.8.18.a. Fe3Al2Si3O12
*             /Fe.EMB-AIMP.Seijo.0s.0s.ECP.Fe3Al2Si3O12-Fe.
*             /Al.EMB-AIMP.Seijo.0s.0s.ECP.Fe3Al2Si3O12-Al(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Fe3Al2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Fe3Al2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Fe3Al2Si3O12-O.
********************************************************************************
*   Structure:
*     T. Armbruster, C.A. Geiger, G.A. Lager. Am. Mineral. 77 (1992) 512-521.
*     (Ia-3d; a=11.5250 A, x=-0.03401, =0.04901, z=0.15278)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Fe.EMB-AIMP.Seijo.0s.0s.ECP.Fe3Al2Si3O12-Fe.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Fe(2+) in Fe3Al2Si3O12 (Almandine)
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.0840000000e5  9.9611000000e4  2.8065000000e4  8.9149000000e3  3.0977000000e3  1.1596400000e3  4.5922000000e2  1.7983000000e2 70.130000000000 32.117000000000 13.984600000000
  4.779600000000  2.266480000000  0.928050000000  0.368080000000
  0.072577149040  0.070727465410  0.119717706200  0.198553836000  0.323334482600  0.499592851100  0.650317611000  0.718674957400  1.294588375000  1.866624052000  0.739541057900
  2.229044616000  2.272060677000  0.810936760200  0.133708402700
M2
  0
COREREP
 1.0
PROJOP
    2
   20    4    2    2    2    0
  5.2712140650e2 64.649167420000  8.141730508000 -0.981994924200
   67207850.00000000
    7313546.00000000
    1289856.00000000
     297297.80000000
      82030.03000000
      25799.18000000
       8956.74800000
       3359.59600000
       1341.95000000
        564.58810000
        248.37920000
        113.50840000
         53.09401000
         22.31520000
         10.71686000
          5.19571800
          1.93017700
          0.77996100
          0.11510950
          0.04166107
  0.000006720927 -0.000002062439 -0.000000952100 -0.000000180229
 -0.000090923095  0.000027970363  0.000011203633 -0.000000455501
 -0.000247517423  0.000076352168  0.000026001820 -0.000006985219
 -0.000681293501  0.000210199324  0.000080609283 -0.000024890005
 -0.001769250945  0.000546861464  0.000202122975 -0.000057827601
 -0.004542444921  0.001411418066  0.000528751283 -0.000155792446
 -0.011836409407  0.003697995753  0.001375555525 -0.000398700619
 -0.031020428261  0.009871703948  0.003709972796 -0.001093595509
 -0.078162096045  0.025607520458  0.009561639891 -0.002766474826
 -0.174345871341  0.061690375703  0.023544926771 -0.006979500641
 -0.307258557901  0.125535485129  0.047961621391 -0.013834990126
 -0.348227079369  0.193965251084  0.079163795177 -0.023965449064
 -0.181297832087  0.119336257939  0.047943570135 -0.012961049041
 -0.021610523282 -0.303293697921 -0.147353934694  0.041570739003
  0.001902246651 -0.596555228620 -0.471057564863  0.159772571324
 -0.000840463266 -0.261365012074 -0.179301083173  0.045081903036
  0.000308110243 -0.017038720444  0.727599718587 -0.282421685885
 -0.000074019203  0.000512044263  0.534233703730 -0.443931733534
  0.000018532283 -0.000229673164  0.011925773251  1.612667785127
 -0.000007978732  0.000130656649 -0.006908621057 -0.546714434132
   15    2
 54.791645810000  5.156826586000
      48583.31000000
       8366.09400000
       2284.63500000
        785.75470000
        310.94600000
        134.69170000
         62.34485000
         30.29293000
         15.39223000
          8.22827600
          4.65259900
          2.57949200
          1.36368900
          0.67283420
          0.28677540
  0.000044546068 -0.000016312008
  0.000259159773 -0.000094862730
  0.001323079269 -0.000486430728
  0.005909322813 -0.002176073521
  0.022266848974 -0.008307034344
  0.069231738625 -0.026284120559
  0.168301563732 -0.066456066364
  0.297086664533 -0.121895351978
  0.342713840851 -0.150423459313
  0.212110783946 -0.056975767986
  0.064497325781  0.132761779177
  0.010474010583  0.352521657714
  0.000518451928  0.401540279486
  0.000510189161  0.247296743259
  0.000019354662  0.021021306282
    9    1    6
  0.076578099860
        273.06550000
         80.26400000
         30.24102000
         12.61650000
          5.60439500
          2.52570400
          1.10501300
          0.45984990
          0.17386000
  0.000600836938
  0.005340147746
  0.025876511836
  0.085181265734
  0.194670903787
  0.310450448850
  0.339073711479
  0.296421789239
  0.107628823567
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.EMB-AIMP.Seijo.0s.0s.ECP.Fe3Al2Si3O12-Al(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Alo(3+) in Fe3Al2Si3O12 (Almandine)
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7297117000e5  5.7385375500e4  1.3169308000e4  3.6194375900e3  1.1480069300e3  3.9467781500e2  1.4950699700e2 60.264838300000 23.410663800000  9.773332000000  4.340800000000
  1.918320000000
  0.021986249360  0.026642016950  0.049191972170  0.083503226700  0.141476918300  0.235775127700  0.316490847000  0.308474440800  0.351025138300  0.757559401300  0.821290850300
  0.219917144500
M2
  0
COREREP
 1.0
PROJOP
    1
   11    2
  1.1675854580e2  9.509670569000
       5908.58000000
        885.12100000
        200.72800000
         56.13320000
         17.16260000
         29.59110000
          2.99732000
          1.06954000
          1.30726000
          0.16518600
          0.06055000
  0.005666373088  0.001486737547
  0.042199367525  0.011033656652
  0.190348608496  0.054798229775
  0.462109470288  0.144658319687
  0.382423781209  0.139005812354
  0.043219797746  0.073259324545
  0.051239821675 -0.605387787772
  0.066370357372 -0.541535217174
 -0.089069964177  0.031039411798
 -0.002606657596 -0.011478999466
  0.000994820206  0.011440361701
    8    1
  6.155070284000
        122.44200000
         28.65160000
          8.85525000
          2.98041000
          1.00154000
          0.31050500
          0.11242400
          0.04102600
  0.013940140244
  0.091704837062
  0.297468066292
  0.499998835609
  0.311625832988
  0.012692620991
 -0.007220420385
  0.000038516303
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.0s.0s.ECP.Fe3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Sit(4+) in Fe3Al2Si3O12 (Almandine)
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8659417000e5  6.1287175500e4  1.4417208000e4  4.0125075900e3  1.2769869300e3  4.4853881500e2  1.7070399700e2 66.556038300000 23.558563800000  9.772362000000  4.520320000000
  2.171040000000
  0.017594572710  0.020767113190  0.037992048290  0.064913840460  0.109048787700  0.177210636600  0.245766718200  0.247078781600  0.338738710700  0.637256976200  0.508816041900
  0.094815772490
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3808829030e2 12.592674330000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098706  0.000010884238
 -0.000053217827  0.000013902431
 -0.000449392929  0.000119957301
 -0.001979093135  0.000529381810
 -0.007581580057  0.002031217391
 -0.024909144062  0.006780245442
 -0.071383183733  0.019913040797
 -0.171132670203  0.051384144624
 -0.314717606949  0.108388922641
 -0.361794913407  0.173140794341
 -0.180689070267  0.110775834594
 -0.018659620764 -0.267516604581
  0.001336119822 -0.572679002180
 -0.000935444768 -0.316976089752
  0.000182625721 -0.008614759210
  0.000033045254  0.012073337802
   11    1
  8.835298025000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231207371
 -0.002624765542
 -0.015856461856
 -0.064151923719
 -0.180449673639
 -0.332871750163
 -0.391827111108
 -0.213307754245
 -0.023031703933
  0.010571337545
 -0.000623914827
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Fe3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Sit(4+) in Fe3Al2Si3O12 (Almandine) with orthogonality orbitals
     4.0   1
* s-type functions
   16    1
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
  0.000010884238
  0.000013902431
  0.000119957301
  0.000529381810
  0.002031217391
  0.006780245442
  0.019913040797
  0.051384144624
  0.108388922641
  0.173140794341
  0.110775834594
 -0.267516604581
 -0.572679002180
 -0.316976089752
 -0.008614759210
  0.012073337802
* p-type functions
   11    1
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231207371
 -0.002624765542
 -0.015856461856
 -0.064151923719
 -0.180449673639
 -0.332871750163
 -0.391827111108
 -0.213307754245
 -0.023031703933
  0.010571337545
 -0.000623914827
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8659417000e5  6.1287175500e4  1.4417208000e4  4.0125075900e3  1.2769869300e3  4.4853881500e2  1.7070399700e2 66.556038300000 23.558563800000  9.772362000000  4.520320000000
  2.171040000000
  0.017594572710  0.020767113190  0.037992048290  0.064913840460  0.109048787700  0.177210636600  0.245766718200  0.247078781600  0.338738710700  0.637256976200  0.508816041900
  0.094815772490
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3808829030e2 12.592674330000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098706  0.000010884238
 -0.000053217827  0.000013902431
 -0.000449392929  0.000119957301
 -0.001979093135  0.000529381810
 -0.007581580057  0.002031217391
 -0.024909144062  0.006780245442
 -0.071383183733  0.019913040797
 -0.171132670203  0.051384144624
 -0.314717606949  0.108388922641
 -0.361794913407  0.173140794341
 -0.180689070267  0.110775834594
 -0.018659620764 -0.267516604581
  0.001336119822 -0.572679002180
 -0.000935444768 -0.316976089752
  0.000182625721 -0.008614759210
  0.000033045254  0.012073337802
   11    1
  8.835298025000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231207371
 -0.002624765542
 -0.015856461856
 -0.064151923719
 -0.180449673639
 -0.332871750163
 -0.391827111108
 -0.213307754245
 -0.023031703933
  0.010571337545
 -0.000623914827
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Fe3Al2Si3O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-) in Fe3Al2Si3O12 (Almandine)
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021747105340 -0.031917005570 -0.065281228860 -0.122122778400 -0.218377387800 -0.384787284900 -0.509942246100 -0.461851955600 -0.754960065100 -1.322927927000 -1.043741059000
 -0.062343956380
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.355824400000  2.059658794000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201713181  0.001317510623
  0.045637641048  0.009620251561
  0.200041477492  0.046615398601
  0.473810528443  0.116128180048
  0.380873959979  0.103432459977
  0.028849856621  0.064583087476
  0.024661783472 -0.467693946610
 -0.005567967968 -0.637901974894
    6    1
  0.558700684400
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013102405211
 -0.085768590988
 -0.246499570353
 -0.448329425497
 -0.494148825682
  0.080801987835
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.19. Ca3Fe2Si3O12 (Andradite)
********************************************************************************
*           E.8.19.a. Ca3Fe2Si3O12
*             /Ca.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Fe2Si3O12-Ca.
*             /Fe.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Fe2Si3O12-Fe(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Fe2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Ca3Fe2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Fe2Si3O12-O.
********************************************************************************
*   Structure:
*     S. Quartieri, R. Oberti, M. Boiocchi, M.C. Dalconi, F. Boscherini, O. Safonova, A.B. Woodland. Am. Mineral. 91 (2006) 1240-1248. doi:10.2138/am.2006.2038
*     (Ia-3d; a=11.5250 A, x=-0.03401, =0.04901, z=0.15278)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Ca.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Fe2Si3O12-Ca.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Ca(2+) in Ca3Fe2Si3O12 (Andradite)
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.8658000000e5  6.1108000000e4  1.4610000000e4  4.1410000000e3  1.3297000000e3  4.7198000000e2  1.7769000000e2 63.146000000000 25.761000000000 12.181200000000  3.223500000000
  1.637300000000  0.839240000000  0.429890000000
  0.060242003150  0.071061900610  0.127462676400  0.220144401500  0.368697382800  0.555618274000  0.636322987700  0.803276209000  1.557158276000  1.295905160000  0.719410397900
  1.688440269000  0.871273809200  0.024986253200
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  2.9959152460e2 33.292808510000  3.872679242000
   15429060.00000000
    1717766.00000000
     325290.80000000
      83104.29000000
      25219.11000000
       8662.80000000
       3220.96700000
       1283.73800000
        543.45920000
        240.83900000
        109.96770000
         51.34453000
         24.28419000
         10.50093000
          4.92292300
          2.34060700
          0.92145250
          0.38267100
          0.06533290
          0.02618455
 -0.000027810218 -0.000008190289 -0.000002790595
 -0.000115765866 -0.000033740812 -0.000011834972
 -0.000336265849 -0.000098684641 -0.000033829110
 -0.000900925946 -0.000264426910 -0.000091383649
 -0.002361576635 -0.000694260719 -0.000238861519
 -0.006274381700 -0.001856458726 -0.000642529100
 -0.017042352968 -0.005074822128 -0.001745192410
 -0.044365266724 -0.013531450306 -0.004708483755
 -0.105346161364 -0.033385253530 -0.011527337550
 -0.214805781448 -0.075062051945 -0.026585500109
 -0.335645757727 -0.140365185857 -0.049736647420
 -0.309851396584 -0.186534538804 -0.071169470669
 -0.112212596451 -0.043747168999 -0.014106759818
 -0.007663911033  0.400502949293  0.181778654191
 -0.000347967066  0.569358711259  0.442386305976
  0.000034042931  0.176344025243  0.098223413246
  0.000044369559  0.007810888710 -0.689719708553
  0.000013467113  0.000672745202 -0.548615011256
  0.000000769627 -0.000157520365  0.007449153998
 -0.000000503776  0.000068292432  0.001081296301
   15    2
 26.646157440000  2.033294909000
      51912.48000000
       8887.83300000
       2423.37000000
        833.83440000
        329.65730000
        142.47560000
         65.46554000
         31.43317000
         15.49410000
          7.76511500
          3.92498500
          1.92437000
          0.91383950
          0.42021050
          0.17575970
 -0.000014571043 -0.000004794009
 -0.000084899423 -0.000027639940
 -0.000435536187 -0.000144468417
 -0.001990417760 -0.000647618890
 -0.007867795333 -0.002630410928
 -0.026521662521 -0.008747736483
 -0.075263759179 -0.025938168297
 -0.171398466101 -0.059265976693
 -0.294455492868 -0.109103361244
 -0.349415516818 -0.130951129320
 -0.222264936828 -0.065767408440
 -0.049873600831  0.234410917187
 -0.001391677186  0.436434538350
 -0.000696646391  0.441959805173
 -0.000244102582  0.035299838684
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Fe.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Fe2Si3O12-Fe(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Fe(3+) in Ca3Fe2Si3O12 (Andradite)
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.0988000000e5  1.0015200000e5  2.8310000000e4  9.0113000000e3  3.1316000000e3  1.1727200000e3  4.6579000000e2  1.8382000000e2 71.588000000000 32.876000000000 15.010800000000
  4.932600000000  2.427780000000  1.063400000000  0.434050000000
  0.047008340990  0.045661052430  0.077056114660  0.128041029800  0.209511808000  0.326845749400  0.430130586400  0.469074021400  0.825868818700  1.235351984000  0.490445623000
  1.368094168000  1.472293732000  0.478899354100  0.062384283040
M2
  0
COREREP
 1.0
PROJOP
    2
   20    4    2    2    2    0
  5.2296136400e2 64.600900390000  8.851620451000 -0.804258397400
   67207850.00000000
    7313546.00000000
    1289856.00000000
     297297.80000000
      82030.03000000
      25799.18000000
       8956.74800000
       3359.59600000
       1341.95000000
        564.58810000
        248.37920000
        113.50840000
         53.09401000
         22.31520000
         10.71686000
          5.19571800
          1.93017700
          0.77996100
          0.11510950
          0.04166107
  0.000006281920 -0.000001961011 -0.000000929832 -0.000000172798
 -0.000083093863  0.000026007766  0.000010700689 -0.000000215097
 -0.000328871201  0.000103501261  0.000037142732 -0.000008789521
  0.000186702559 -0.000060633123 -0.000021222402  0.000002762363
 -0.000902169920  0.000276864022  0.000102911867 -0.000029726643
 -0.002369849226  0.000720865085  0.000273010484 -0.000085887499
 -0.008772120914  0.002684320638  0.001006784617 -0.000321273073
 -0.026461716724  0.008227430188  0.003117909934 -0.000954730939
 -0.072748983838  0.023294886772  0.008776137994 -0.002840286643
 -0.169411055503  0.058587229708  0.022525524095 -0.006821908573
 -0.306846814162  0.123128347170  0.047526681869 -0.015753447593
 -0.354149751190  0.195000805783  0.080077357322 -0.023445376556
 -0.186888517303  0.130558227988  0.054101084222 -0.021673336755
 -0.022650877005 -0.288565337035 -0.140817844284  0.057645807959
  0.001698465937 -0.602286996375 -0.473138458871  0.139148938977
 -0.001007327307 -0.272499632092 -0.205161036355  0.115101563159
  0.000418598972 -0.018613111815  0.741889384643 -0.426178002208
 -0.000005848277  0.000331661647  0.537950296079 -0.341143095926
  0.000010281605 -0.000013002913 -0.001145700454  1.734041899850
 -0.000025957049  0.000171452149 -0.004327842515 -0.761734955899
   15    2
 55.609646810000  5.972769007000
      48583.31000000
       8366.09400000
       2284.63500000
        785.75470000
        310.94600000
        134.69170000
         62.34485000
         30.29293000
         15.39223000
          8.22827600
          4.65259900
          2.57949200
          1.36368900
          0.67283420
          0.28677540
  0.000008829622 -0.000003283331
  0.000130810816 -0.000048319313
  0.000990179042 -0.000368754648
  0.005183773512 -0.001927217987
  0.020899384134 -0.007895003784
  0.067091478571 -0.025728302798
  0.166047894667 -0.066513486979
  0.296262985942 -0.122912643978
  0.344375675031 -0.154708299582
  0.214537240174 -0.058017762865
  0.065256945548  0.128969226627
  0.010656322127  0.367301578294
  0.000287815571  0.403569183859
  0.000599097007  0.243821189809
 -0.000123825028  0.003422662688
    9    1    5
  0.759829819600
        273.06550000
         80.26400000
         30.24102000
         12.61650000
          5.60439500
          2.52570400
          1.10501300
          0.45984990
          0.17386000
  0.000595706831
  0.005546992771
  0.027275675722
  0.090281641695
  0.206481327701
  0.328407860099
  0.351790286636
  0.267544954829
  0.066177385558
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Fe2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Si(4+) in Ca3Fe2Si3O12 (Andradite)
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8661417000e5  6.1223175500e4  1.4382208000e4  4.0048075900e3  1.2754869300e3  4.4774881500e2  1.7033399700e2 66.434038300000 23.545563800000  9.776962000000  4.528020000000
  2.181440000000
  0.017597166350  0.020801593230  0.038056926520  0.064918064790  0.109129734300  0.177513339600  0.245905297100  0.246809224200  0.338485087100  0.636519783000  0.508555962900
  0.095707820830
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3809116740e2 12.594989720000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098699  0.000010885496
 -0.000053217779  0.000013904210
 -0.000449392323  0.000119980012
 -0.001979092387  0.000529433246
 -0.007581567294  0.002031660614
 -0.024909141854  0.006780697889
 -0.071383023855  0.019918136821
 -0.171132711906  0.051385041621
 -0.314716442466  0.108425699165
 -0.361795877528  0.173116504878
 -0.180686890845  0.110899597334
 -0.018667345497 -0.267794366364
  0.001346179966 -0.572371734568
 -0.000945282556 -0.317698144639
  0.000194393052 -0.007358451549
  0.000029421566  0.011664390509
   11    1
  8.838986321000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231213862
 -0.002625134508
 -0.015856903931
 -0.064161349055
 -0.180449391094
 -0.332945090874
 -0.391796893408
 -0.213511294919
 -0.022560862652
  0.010681620743
 -0.000748063751
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Ca3Fe2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Si(4+) in Ca3Fe2Si3O12 (Andradite) with orthogonality orbitals
     4.0   1
* s-type functions
   16    1
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
  0.000010885496
  0.000013904210
  0.000119980012
  0.000529433246
  0.002031660614
  0.006780697889
  0.019918136821
  0.051385041621
  0.108425699165
  0.173116504878
  0.110899597334
 -0.267794366364
 -0.572371734568
 -0.317698144639
 -0.007358451549
  0.011664390509
* p-type functions
   11    1
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231213862
 -0.002625134508
 -0.015856903931
 -0.064161349055
 -0.180449391094
 -0.332945090874
 -0.391796893408
 -0.213511294919
 -0.022560862652
  0.010681620743
 -0.000748063751
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8661417000e5  6.1223175500e4  1.4382208000e4  4.0048075900e3  1.2754869300e3  4.4774881500e2  1.7033399700e2 66.434038300000 23.545563800000  9.776962000000  4.528020000000
  2.181440000000
  0.017597166350  0.020801593230  0.038056926520  0.064918064790  0.109129734300  0.177513339600  0.245905297100  0.246809224200  0.338485087100  0.636519783000  0.508555962900
  0.095707820830
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3809116740e2 12.594989720000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098699  0.000010885496
 -0.000053217779  0.000013904210
 -0.000449392323  0.000119980012
 -0.001979092387  0.000529433246
 -0.007581567294  0.002031660614
 -0.024909141854  0.006780697889
 -0.071383023855  0.019918136821
 -0.171132711906  0.051385041621
 -0.314716442466  0.108425699165
 -0.361795877528  0.173116504878
 -0.180686890845  0.110899597334
 -0.018667345497 -0.267794366364
  0.001346179966 -0.572371734568
 -0.000945282556 -0.317698144639
  0.000194393052 -0.007358451549
  0.000029421566  0.011664390509
   11    1
  8.838986321000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231213862
 -0.002625134508
 -0.015856903931
 -0.064161349055
 -0.180449391094
 -0.332945090874
 -0.391796893408
 -0.213511294919
 -0.022560862652
  0.010681620743
 -0.000748063751
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Fe2Si3O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-)  in Ca3Fe2Si3O12 (Andradite)
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021758033550 -0.031938738710 -0.065305750250 -0.122214046100 -0.218441885800 -0.385062720700 -0.510086496200 -0.462680351500 -0.755680337500 -1.328268550000 -1.037824257000
 -0.060738832070
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.387975900000  2.093985487000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201647880  0.001318665781
  0.045637060950  0.009633496529
  0.200039023473  0.046639526181
  0.473800392964  0.116502148366
  0.380870052176  0.104453872170
  0.028853989424  0.063830476455
  0.024709779743 -0.470023640632
 -0.005609144907 -0.635943859292
    6    1
  0.596210287600
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
 -0.013122094029
 -0.085996703634
 -0.246636545751
 -0.450696220803
 -0.490687329138
  0.079720904568
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.20. Ca3Sc2Si3O12
********************************************************************************
*           E.8.20.a. Ca3Sc2Si3O12
*             /Ca.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Sc2Si3O12-Ca.
*             /Sc.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Sc2Si3O12-Sc(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Sc2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Ca3Sc2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Sc2Si3O12-O.
********************************************************************************
*   Structure:
*     S. Quartieri, R. Oberti, M. Boiocchi, M.C. Dalconi, F. Boscherini, O. Safonova, A.B. Woodland. Am. Mineral. 91 (2006) 1240-1248. doi:10.2138/am.2006.2038
*     (Ia-3d; a=12.2500 A, x=-0.04004, =0.0501, z=0.15887)
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Ca.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Sc2Si3O12-Ca.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Ca(2+) in Ca3Sc2Si3O12
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.8429000000e5  6.0558000000e4  1.4466000000e4  4.0918000000e3  1.3120000000e3  4.6556000000e2  1.7499000000e2 62.018000000000 25.373000000000 12.016600000000  3.100400000000
  1.583000000000  0.814620000000  0.383870000000
  0.060481983580  0.071447296380  0.128238935900  0.221976505300  0.371545877600  0.558711464200  0.637620382400  0.814144125100  1.570390533000  1.269706349000  0.789916398300
  1.680802694000  0.811756152800  0.013261302870
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  2.9967204290e2 33.374064700000  3.955324151000
   15429060.00000000
    1717766.00000000
     325290.80000000
      83104.29000000
      25219.11000000
       8662.80000000
       3220.96700000
       1283.73800000
        543.45920000
        240.83900000
        109.96770000
         51.34453000
         24.28419000
         10.50093000
          4.92292300
          2.34060700
          0.92145250
          0.38267100
          0.06533290
          0.02618455
 -0.000027810214 -0.000008190272 -0.000002790579
 -0.000115765858 -0.000033740810 -0.000011834281
 -0.000336265723 -0.000098683721 -0.000033833746
 -0.000900925681 -0.000264425409 -0.000091386745
 -0.002361575945 -0.000694254926 -0.000238896606
 -0.006274379599 -0.001856449495 -0.000642515949
 -0.017042348318 -0.005074773357 -0.001745569203
 -0.044365250241 -0.013531400288 -0.004708041388
 -0.105346132133 -0.033384872778 -0.011530808418
 -0.214805676074 -0.075061888660 -0.026580250690
 -0.335645600153 -0.140363000615 -0.049759720518
 -0.309851138445 -0.186535157252 -0.071128583449
 -0.112213242104 -0.043743314546 -0.014204751100
 -0.007663826584  0.400485246802  0.182014066011
 -0.000348479740  0.569375654102  0.441913417430
  0.000034731021  0.176318246142  0.099061373997
  0.000043711524  0.007861225767 -0.690854609146
  0.000014073820  0.000632950597 -0.547848103150
  0.000000088502 -0.000118347687  0.007553254884
 -0.000000083504  0.000046039016  0.000616846938
   15    2
 26.727341580000  2.115263137000
      51912.48000000
       8887.83300000
       2423.37000000
        833.83440000
        329.65730000
        142.47560000
         65.46554000
         31.43317000
         15.49410000
          7.76511500
          3.92498500
          1.92437000
          0.91383950
          0.42021050
          0.17575970
 -0.000014570931  0.000004794546
 -0.000084898643  0.000027643673
 -0.000435533202  0.000144482749
 -0.001990398387  0.000647710907
 -0.007867741527  0.002630665475
 -0.026521392467  0.008748982975
 -0.075263183920  0.025940606306
 -0.171396314591  0.059274556466
 -0.294453681971  0.109112248195
 -0.349413156590  0.130976902259
 -0.222269200506  0.065766318424
 -0.049875294001 -0.234415474233
 -0.001400791336 -0.436430539327
 -0.000688777991 -0.442818283921
 -0.000242691025 -0.034045467007
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Sc.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Sc2Si3O12-Sc(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Sc(3+) in Ca3Sc2Si3O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  5.0675000000e5  9.8854000000e4  2.7649000000e4  8.7787000000e3  3.0511000000e3  1.1430000000e3  4.5718000000e2  1.8930000000e2 74.187000000000 31.902000000000 15.558700000000
  6.238800000000  2.538980000000  1.438810000000  0.922080000000
  0.035001292110  0.034285702750  0.058030419300  0.095384499380  0.155282974300  0.246319577400  0.350388771500  0.390943939400  0.475074442400  0.927762231100  0.965676188200
  0.201291672600  1.018065730000  0.731927289800  0.314565269800
M2
  0
COREREP
 1.0
PROJOP
    2
   20    4    2    2    2    0
  3.3162524320e2 38.158007850000  5.010956865000 -1.118095402000
   12809350.00000000
    1543198.00000000
     309741.60000000
      82804.01000000
      25477.23000000
       8662.39700000
       3209.42400000
       1277.85400000
        544.18700000
        241.56850000
        110.06900000
         51.22249000
         23.85044000
         10.65195000
          4.95127700
          2.20128400
          0.99520890
          0.42603180
          0.07634914
          0.02966669
 -0.000018683137  0.000005536485  0.000001849640  0.000000376637
 -0.000184019551  0.000055378462  0.000020417058  0.000004248229
  0.000080771076 -0.000025083966 -0.000009506384 -0.000002413198
 -0.000507659429  0.000149979383  0.000054195996  0.000009545861
 -0.001458055261  0.000427148396  0.000152821262  0.000025230756
 -0.005439336357  0.001605507823  0.000577177612  0.000094973172
 -0.016824938369  0.004998092972  0.001792615984  0.000301731272
 -0.046711502910  0.014229069161  0.005134355756  0.000837653246
 -0.112445409611  0.035802001802  0.012929198313  0.002196327655
 -0.230533778466  0.081648709549  0.029979343472  0.004855010797
 -0.348554603568  0.151513984343  0.056620840219  0.009816958502
 -0.295962533248  0.189178041806  0.074851330759  0.011725862416
 -0.088521929406  0.009329349207  0.002985674482  0.002478380525
 -0.003145339039 -0.461178579916 -0.235976300680 -0.046235620503
 -0.001290037403 -0.556228915258 -0.475748230628 -0.078765600273
  0.000482579089 -0.122782506609 -0.005207882604 -0.025598397504
 -0.000120310079  0.001304522278  0.750804138245  0.262238357793
  0.000094032165 -0.002661072267  0.478654472719  0.099515511636
 -0.000011498372  0.001139235224 -0.035650433931 -0.082549891145
 -0.000002954613 -0.000405552321  0.007935510607 -0.971658553309
   15    2
 31.343810710000  2.998266045000
      52100.92000000
       8878.35600000
       2420.28300000
        833.95720000
        329.71210000
        142.48480000
         65.47393000
         31.44028000
         15.48991000
          7.76982200
          3.92629200
          1.90393800
          0.90668620
          0.42230460
          0.17530430
  0.000003470960 -0.000001217905
  0.000052355354 -0.000017964504
  0.000397373968 -0.000139264820
  0.002115427521 -0.000729229679
  0.008877341304 -0.003132373553
  0.030517207727 -0.010698614706
  0.086381354854 -0.031557687736
  0.191927820409 -0.071005453883
  0.316308621531 -0.125269740356
  0.343976701220 -0.139090592918
  0.185023053212 -0.023511631602
  0.031602894498  0.322791805270
  0.000136962392  0.471512046242
  0.000676230631  0.349489750234
 -0.000391938255 -0.026901269170
    9    1    0
 -0.643664980400
        125.98350000
         36.09441000
         13.19322000
          5.29089600
          2.27671900
          0.99784630
          0.43224480
          0.18104010
          0.07055681
 -0.000730420798
 -0.006791247606
 -0.029791069457
 -0.096632436774
 -0.201795435760
 -0.338812249158
 -0.309125270217
 -0.450118589732
  0.248212931686
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Sc2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Si(4+) in Ca3Sc2Si3O12
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8682417000e5  6.1256175500e4  1.4385208000e4  4.0073075900e3  1.2765869300e3  4.4808881500e2  1.7044399700e2 66.488038300000 23.578563800000  9.795362000000  4.540920000000
  2.195340000000
  0.017591702700  0.020803200800  0.038051939360  0.064874598190  0.109081595900  0.177479615100  0.245886003000  0.246760506700  0.337859049200  0.635553329800  0.508999074400
  0.097059384870
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3807148020e2 12.574018430000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098692  0.000010888313
 -0.000053217803  0.000013905227
 -0.000449391553  0.000120017696
 -0.001979094403  0.000529468248
 -0.007581547988  0.002032441857
 -0.024909188660  0.006780609627
 -0.071382749494  0.019927760807
 -0.171133270605  0.051377724317
 -0.314714236524  0.108501661710
 -0.361800153980  0.173019895059
 -0.180679140213  0.111199010071
 -0.018684607041 -0.268501703672
  0.001372663362 -0.571240409084
 -0.000972008072 -0.319547049630
  0.000220587864 -0.005150100431
  0.000024766391  0.011353576766
   11    1
  8.820634101000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231205757
 -0.002625375658
 -0.015856328170
 -0.064167590388
 -0.180436509470
 -0.333001977395
 -0.391722270050
 -0.213771895643
 -0.022394547593
  0.011439819061
 -0.001061373698
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Ca3Sc2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Si(4+) in Ca3Sc2Si3O12 with orthogonality orbitals
     4.0   1
* s-type functions
   16    1
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
  0.000010888313
  0.000013905227
  0.000120017696
  0.000529468248
  0.002032441857
  0.006780609627
  0.019927760807
  0.051377724317
  0.108501661710
  0.173019895059
  0.111199010071
 -0.268501703672
 -0.571240409084
 -0.319547049630
 -0.005150100431
  0.011353576766
* p-type functions
   11    1
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231205757
 -0.002625375658
 -0.015856328170
 -0.064167590388
 -0.180436509470
 -0.333001977395
 -0.391722270050
 -0.213771895643
 -0.022394547593
  0.011439819061
 -0.001061373698
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8682417000e5  6.1256175500e4  1.4385208000e4  4.0073075900e3  1.2765869300e3  4.4808881500e2  1.7044399700e2 66.488038300000 23.578563800000  9.795362000000  4.540920000000
  2.195340000000
  0.017591702700  0.020803200800  0.038051939360  0.064874598190  0.109081595900  0.177479615100  0.245886003000  0.246760506700  0.337859049200  0.635553329800  0.508999074400
  0.097059384870
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3807148020e2 12.574018430000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098692  0.000010888313
 -0.000053217803  0.000013905227
 -0.000449391553  0.000120017696
 -0.001979094403  0.000529468248
 -0.007581547988  0.002032441857
 -0.024909188660  0.006780609627
 -0.071382749494  0.019927760807
 -0.171133270605  0.051377724317
 -0.314714236524  0.108501661710
 -0.361800153980  0.173019895059
 -0.180679140213  0.111199010071
 -0.018684607041 -0.268501703672
  0.001372663362 -0.571240409084
 -0.000972008072 -0.319547049630
  0.000220587864 -0.005150100431
  0.000024766391  0.011353576766
   11    1
  8.820634101000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231205757
 -0.002625375658
 -0.015856328170
 -0.064167590388
 -0.180436509470
 -0.333001977395
 -0.391722270050
 -0.213771895643
 -0.022394547593
  0.011439819061
 -0.001061373698
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Ca3Sc2Si3O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-)  in Ca3Sc2Si3O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021760681390 -0.031935915860 -0.065323176360 -0.122192074200 -0.218512029500 -0.384985616600 -0.510296717200 -0.462351145500 -0.756874964800 -1.326993189000 -1.037404143000
 -0.061370346670
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.440148780000  2.148124911000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201616900  0.001319459497
  0.045636993870  0.009641222820
  0.200037124528  0.046660763823
  0.473806483924  0.116681627741
  0.380895276394  0.104901217687
  0.028828534381  0.063537785967
  0.024697185479 -0.471254278768
 -0.005594087132 -0.634895384001
    6    1
  0.646756511200
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
  0.013135630071
  0.085928653969
  0.247148699374
  0.449813599164
  0.491199775355
 -0.079484485613
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.21. Lu2CaMg2Si3O12
********************************************************************************
*           E.8.21.a. Lu2CaMg2Si3O12
*             /Lu.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-Lu.
*             /Ca.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-Ca.
*             /Mg.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-Mg(oct).
*             /Si.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-Si(tet).
*             /Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Lu2CaMg2Si3O12-Si(tet).
*             /O.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-O.
********************************************************************************
*   Structure:
*     A.A. Setlur, W.J. Heward, Y. Gao, A.M. Srivastava, R.G. Chandran, M.V. Shankar. Chem. Mater. 18 (2006) 3314-3322. doi:10.1021/cm060898c
*     (Ia-3d; a=11.9750 A, x=-0.0351, =0.0538, z=0.1578
*   Embedding potentials:
*     L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
*     Out of SCEI DKH-HF calculations
********************************************************************************

/Lu.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-Lu.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Lu(3+) in Lu2CaMg2Si3O12
     3.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.4113000000e5  7.8986000000e4  2.1089000000e4  6.5103000000e3  2.1448000000e3  7.2729000000e2  3.0545000000e2 95.422000000000 51.838000000000 11.056200000000  5.304800000000
  1.810700000000  0.823690000000
  0.240603743000  0.255794643900  0.433283588800  0.652033081400  0.850681984800  1.482588859000  1.855862759000  2.131588641000  3.592069712000  4.950094205000  2.980578045000
  2.338464283000  0.903023120900
M2
  0
COREREP
 1.0
PROJOP
    3
   27    5
  4.6692146820e3  8.0483023210e2  1.8635695000e2 38.924846560000  4.977518612000
67013119000.00000000
 7216717800.00000000
 1171529200.00000000
  235233120.00000000
   55877724.00000000
   14949778.00000000
    4363017.00000000
    1375340.50000000
     456540.52000000
     160435.37000000
      59637.10400000
      23233.14400000
       9474.04090000
       4032.73130000
       1779.75390000
        807.87768000
        374.92607000
        172.16227000
         81.75905400
         34.04620200
         17.67359800
          7.08409260
          3.47950730
          0.99316525
          0.44583214
        772.13035e-4
        305.33522e-4
 -0.000000244159 -0.000000081509 -0.000000051623  0.000000015328 -0.000000006643
  0.000001120858  0.000000374559  0.000000236647 -0.000000070584  0.000000030560
 -0.000004011432 -0.000001348944 -0.000000839505  0.000000257494 -0.000000110723
  0.000016057859  0.000005559798  0.000003220044 -0.000001123084  0.000000468574
 -0.000595541280 -0.000221485214 -0.000106087664  0.000050450057 -0.000019778835
 -0.000742824110 -0.000280859363 -0.000128808244  0.000065474618 -0.000025371335
 -0.001956849062 -0.000727632361 -0.000351835787  0.000165074089 -0.000064910893
 -0.003949491924 -0.001497905730 -0.000690998523  0.000348563302 -0.000135141193
 -0.008181500879 -0.003073807874 -0.001481830004  0.000700439749 -0.000275554579
 -0.016327091800 -0.006257096969 -0.002933280116  0.001449215584 -0.000561566019
 -0.032284660281 -0.012495628141 -0.005959476475  0.002885521601 -0.001126712883
 -0.063239750961 -0.025221363519 -0.011988781226  0.005864796872 -0.002284886283
 -0.120490529981 -0.050090621132 -0.024128863772  0.011760088953 -0.004583812827
 -0.213403003960 -0.096618158967 -0.046861710506  0.023033796455 -0.008993411799
 -0.315171280866 -0.163496009471 -0.082167505776  0.040358992985 -0.015750391321
 -0.302931793739 -0.195815529020 -0.100636943132  0.050566208411 -0.019844589335
 -0.121186106741  0.010629782631  0.012944295598 -0.008839851112  0.003690999938
 -0.007602093799  0.503632354711  0.431203291161 -0.238273417580  0.095474972840
 -0.000655846211  0.534061668783  0.582641881182 -0.363866720764  0.150260178278
  0.000523977180  0.095857165585 -0.464940694017  0.457441114708 -0.208804227445
 -0.000298542739 -0.014771628432 -0.818860425649  0.986636858797 -0.475234024098
  0.000144190179  0.005047931946 -0.115530875697 -0.614307825665  0.432037865745
 -0.000076425681 -0.002356372609  0.014455582308 -0.857244718214  0.774863926642
  0.000025280027  0.000735595602 -0.003857486733 -0.057488789346 -0.702138912326
 -0.000011435565 -0.000345101359  0.001798137927  0.013030635544 -0.654737938184
  0.000002918352  0.000086932238 -0.000425524830 -0.002446781531 -0.001677716010
 -0.000001437668 -0.000040155604  0.000195421661  0.001137642814  0.006221461124
   23    4
  7.1022645830e2  1.5724203490e2 29.141607190000  2.438251283000
   55602773.00000000
    7765745.90000000
    1589584.30000000
     401810.95000000
     118603.34000000
      39300.00000000
      14430.35400000
       5793.12460000
       2497.82150000
       1143.71730000
        551.39771000
        277.75014000
        145.03033000
         77.44745600
         41.75015500
         23.22694800
         12.93638700
          7.02606490
          3.74450470
          1.89919080
          0.91463474
          0.42267369
          0.17333636
 -0.000001787486 -0.000000941646  0.000000369672 -0.000000210150
 -0.000029778280 -0.000014803249  0.000007475619 -0.000002208202
 -0.000077473699 -0.000039657036  0.000017830828 -0.000007396355
 -0.000219006617 -0.000109128715  0.000055186460 -0.000016207648
 -0.000590314267 -0.000299796764  0.000141846518 -0.000052241141
 -0.001617918222 -0.000820946851  0.000396168005 -0.000137351228
 -0.004448877155 -0.002272304678  0.001092131489 -0.000385269720
 -0.012330231737 -0.006350263769  0.003064248923 -0.001074529197
 -0.033632795525 -0.017577836747  0.008499387264 -0.002995034682
 -0.085361657886 -0.045767211583  0.022289930714 -0.007832556343
 -0.184634876507 -0.103020111933  0.050574435822 -0.017889581126
 -0.306178391533 -0.179922340179  0.089736864417 -0.031622486183
 -0.333940588211 -0.192210170144  0.094507563214 -0.033672054157
 -0.191850066297  0.015580229083 -0.030487879070  0.013330212072
 -0.041369772500  0.389529614604 -0.292135859397  0.110413710785
 -0.001846259048  0.478691783456 -0.385623015456  0.153259488489
 -0.000145658887  0.202678825262  0.045198479659 -0.048910827343
  0.000133670639  0.026107516819  0.546128108166 -0.272994397581
  0.000015743341  0.001459784377  0.482015652466 -0.306023579442
  0.000006046762  0.000165320500  0.118269776408  0.132485407728
 -0.000001385223 -0.000003884438  0.003808978862  0.520819599460
  0.000000056778  0.000004542709  0.001381982045  0.515003612411
  0.000000067483 -0.000004598591 -0.000441904127  0.024900635706
   15    2
  1.2106335890e2 15.905130110000
      16241.49300000
       4278.98820000
       1524.59710000
        640.85771000
        295.56552000
        143.52658000
         71.89617500
         36.65707500
         18.88423700
          9.51045680
          4.62082260
          2.11200860
          0.75168436
          0.25140270
        754.71915e-4
  0.000085227909  0.000041409851
  0.000604051322  0.000295456839
  0.003323691269  0.001623951094
  0.014681190082  0.007257030921
  0.052573806428  0.026160221344
  0.148496094682  0.075637977863
  0.301129884361  0.152370923991
  0.388472781929  0.180766956063
  0.249911825017 -0.020930154044
  0.059008204721 -0.385959251374
  0.003152945015 -0.487169720921
  0.000572999879 -0.223602676495
 -0.000003429486 -0.021284940573
  0.000021597308  0.001549969992
 -0.000006333266 -0.000322920186
   10    1
  1.247433889000
       1573.11130000
        295.92915000
        108.34588000
         47.08844000
         21.82595400
         10.48002400
          4.98865320
          2.30476150
          0.99952257
          0.38102157
 -0.000091148588
 -0.002175038166
 -0.015333911670
 -0.061822277883
 -0.166136937609
 -0.288169400187
 -0.342977516076
 -0.296630046907
 -0.187499722509
 -0.063146590208
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ca.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-Ca.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Ca(2+) in Lu2CaMg2Si3O12
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.8536000000e5  6.0875000000e4  1.4577000000e4  4.1262000000e3  1.3237000000e3  4.6993000000e2  1.7681000000e2 62.805000000000 25.665000000000 12.144300000000  3.192200000000
  1.623200000000  0.831060000000  0.415590000000
  0.060366144020  0.071118255120  0.127588563900  0.220889181200  0.369565656600  0.556514956100  0.636728445100  0.805606176200  1.558980577000  1.289929220000  0.737092822900
  1.684558975000  0.857297235800  0.023763790940
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  2.9939319960e2 33.092302160000  3.668938502000
   15429060.00000000
    1717766.00000000
     325290.80000000
      83104.29000000
      25219.11000000
       8662.80000000
       3220.96700000
       1283.73800000
        543.45920000
        240.83900000
        109.96770000
         51.34453000
         24.28419000
         10.50093000
          4.92292300
          2.34060700
          0.92145250
          0.38267100
          0.06533290
          0.02618455
 -0.000027810228 -0.000008190314 -0.000002790681
 -0.000115765890 -0.000033740721 -0.000011837539
 -0.000336266225 -0.000098687196 -0.000033811108
 -0.000900926729 -0.000264431028 -0.000091367457
 -0.002361578750 -0.000694275812 -0.000238737155
 -0.006274387766 -0.001856486135 -0.000642510173
 -0.017042367689 -0.005074944729 -0.001743937242
 -0.044365313550 -0.013531617354 -0.004709350855
 -0.105346257694 -0.033386185773 -0.011516178822
 -0.214806076244 -0.075062782228 -0.026598418082
 -0.335646271003 -0.140370392096 -0.049664803560
 -0.309852061335 -0.186534663713 -0.071282253651
 -0.112210857533 -0.043753765309 -0.013819298224
 -0.007663824043  0.400543929055  0.181072652916
 -0.000346987856  0.569326524216  0.443717187365
  0.000032639831  0.176392801694  0.095748652780
  0.000045648249  0.007695973236 -0.686179145098
  0.000012224377  0.000762034802 -0.550886722816
  0.000001748983 -0.000213099335  0.006561117515
 -0.000000926338  0.000086381428  0.002984246748
   15    2
 26.445817760000  1.830795467000
      51912.48000000
       8887.83300000
       2423.37000000
        833.83440000
        329.65730000
        142.47560000
         65.46554000
         31.43317000
         15.49410000
          7.76511500
          3.92498500
          1.92437000
          0.91383950
          0.42021050
          0.17575970
 -0.000014571818 -0.000004790484
 -0.000084904236 -0.000027608855
 -0.000435558464 -0.000144395864
 -0.001990533270 -0.000646807856
 -0.007868198750 -0.002629207087
 -0.026523237850 -0.008736623481
 -0.075267809791 -0.025927244090
 -0.171409807217 -0.059185353936
 -0.294470145975 -0.109085419006
 -0.349431701704 -0.130668170764
 -0.222260850784 -0.066022912301
 -0.049866477396  0.234791861824
 -0.001369657431  0.435360136832
 -0.000717074007  0.440399185713
  0.000247618835  0.038902349857
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mg.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-Mg(oct).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Mg(2+) in Lu2CaMg2Si3O12
     2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.1803000000e5  7.0189000000e4  1.7181000000e4  4.8644000000e3  1.5617000000e3  5.5138000000e2  2.1099000000e2 85.739000000000 34.077000000000 12.899200000000  5.719000000000
  2.683900000000  1.266210000000
  0.027711062310  0.031157554200  0.056409049350  0.096165217950  0.158993629700  0.259589601600  0.393521547200  0.473585630700  0.441555049600  0.739920004600  1.211510227000
  0.913827372000  0.196054053500
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
 97.715081490000  7.143391380000
    1694068.00000000
     192336.90000000
      39966.58000000
      10658.15000000
       3203.17800000
       1064.46700000
        385.24090000
        149.66940000
         61.39625000
         26.30771000
         11.48114000
          4.16401400
          1.75389900
          0.71374240
          0.11313050
          0.04072101
 -0.000005879461 -0.000001747277
 -0.000046872770 -0.000011680216
 -0.000268489338 -0.000067861006
 -0.001242164673 -0.000314472796
 -0.005072282441 -0.001284676918
 -0.018035643854 -0.004624003562
 -0.055781685919 -0.014573596633
 -0.145276773091 -0.040297768737
 -0.294450977924 -0.091703375411
 -0.384516105786 -0.160703713241
 -0.224543842828 -0.134155170202
 -0.025483236550  0.218817357140
  0.002195369406  0.575779906994
 -0.001198797603  0.361172833505
  0.000227156144  0.004283952580
 -0.000072725257 -0.006607571528
   11    1
  4.189936084000
       1213.44400000
        274.66330000
         87.11188000
         32.75345000
         13.63020000
          6.03971800
          2.74552300
          1.23835000
          0.90131990
          0.58515990
          0.23001770
 -0.000211716443
 -0.001987694805
 -0.010715240761
 -0.041289246334
 -0.116436366863
 -0.240433052459
 -0.332181228940
 -0.395143622690
  0.121423900524
 -0.220536508204
  0.004566724348
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Si(4+) in Lu2CaMg2Si3O12
     4.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.9056417000e5  6.2340175500e4  1.4730208000e4  4.1188075900e3  1.3152869300e3  4.6207881500e2  1.7572399700e2 68.675038300000 24.319563800000 10.005462000000  4.599620000000
  2.187540000000
  0.017474065070  0.020520373880  0.037461746850  0.063777086550  0.107125972000  0.174625527900  0.244089749500  0.247551184500  0.331158484900  0.634074746800  0.522639183600
  0.099501878380
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3819698340e2 12.703699630000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098715  0.000010879078
 -0.000053217668  0.000013903151
 -0.000449393693  0.000119903947
 -0.001979086438  0.000529379988
 -0.007581604036  0.002030072363
 -0.024909019219  0.006781159844
 -0.071383568660  0.019898366296
 -0.171131320259  0.051402744713
 -0.314720929460  0.108267659072
 -0.361785820139  0.173329820568
 -0.180704688567  0.110265205168
 -0.018630630067 -0.266278957451
  0.001287801612 -0.574895392537
 -0.000885725275 -0.313725866730
  0.000139102655 -0.011616674539
  0.000035568535  0.011747699925
   11    1
  8.942122035000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231242356
 -0.002624934243
 -0.015858912475
 -0.064156064679
 -0.180482618624
 -0.332882044826
 -0.391949095738
 -0.213074738142
 -0.022464399700
  0.008911538263
 -0.000203472514
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.EMB-AIMP.Seijo.16s11p.1s1p.ECP.Lu2CaMg2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of Si(4+) in Lu2CaMg2Si3O12 with orthogonality orbitals
     4.0   1
* s-type functions
   16    1
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
  0.000010879078
  0.000013903151
  0.000119903947
  0.000529379988
  0.002030072363
  0.006781159844
  0.019898366296
  0.051402744713
  0.108267659072
  0.173329820568
  0.110265205168
 -0.266278957451
 -0.574895392537
 -0.313725866730
 -0.011616674539
  0.011747699925
* p-type functions
   11    1
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231242356
 -0.002624934243
 -0.015858912475
 -0.064156064679
 -0.180482618624
 -0.332882044826
 -0.391949095738
 -0.213074738142
 -0.022464399700
  0.008911538263
 -0.000203472514
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.9056417000e5  6.2340175500e4  1.4730208000e4  4.1188075900e3  1.3152869300e3  4.6207881500e2  1.7572399700e2 68.675038300000 24.319563800000 10.005462000000  4.599620000000
  2.187540000000
  0.017474065070  0.020520373880  0.037461746850  0.063777086550  0.107125972000  0.174625527900  0.244089749500  0.247551184500  0.331158484900  0.634074746800  0.522639183600
  0.099501878380
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3819698340e2 12.703699630000
    1453205.00000000
     183024.60000000
      37505.20000000
       9899.25100000
       3067.37900000
       1068.80400000
        406.15850000
        164.87680000
         70.46529000
         31.35984000
         14.24023000
          5.51683100
          2.45715100
          1.09992100
          0.25729500
          0.09153216
 -0.000039098715  0.000010879078
 -0.000053217668  0.000013903151
 -0.000449393693  0.000119903947
 -0.001979086438  0.000529379988
 -0.007581604036  0.002030072363
 -0.024909019219  0.006781159844
 -0.071383568660  0.019898366296
 -0.171131320259  0.051402744713
 -0.314720929460  0.108267659072
 -0.361785820139  0.173329820568
 -0.180704688567  0.110265205168
 -0.018630630067 -0.266278957451
  0.001287801612 -0.574895392537
 -0.000885725275 -0.313725866730
  0.000139102655 -0.011616674539
  0.000035568535  0.011747699925
   11    1
  8.942122035000
       1761.45000000
        352.27440000
        103.83810000
         36.92634000
         14.69441000
          6.22933500
          2.70582200
          1.17691200
          0.41866660
          0.16047890
          0.05929782
 -0.000231242356
 -0.002624934243
 -0.015858912475
 -0.064156064679
 -0.180482618624
 -0.332882044826
 -0.391949095738
 -0.213074738142
 -0.022464399700
  0.008911538263
 -0.000203472514
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.EMB-AIMP.Seijo.0s.0s.ECP.Lu2CaMg2Si3O12-O.
L. Seijo, Z. Barandiaran. Phys. Chem. Chem. Phys. 15 (2013) 19221-19231. doi:10.1039/c3cp53465k
Embedding AIMP of O(2-)  in Lu2CaMg2Si3O12
    -2.0   0
* s-type functions
    0    0
********************************************************************************
* External AIMP:
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  2.8288583000e5  3.4740012000e4  6.5025730000e3  1.4864260000e3  4.0682733000e2  1.2483700000e2 41.984619000000 13.816330000000  4.272136000000  1.610321600000  0.607890000000
  0.264472000000
 -0.021742301240 -0.031887611670 -0.065298575440 -0.121974231700 -0.218481138300 -0.384308831400 -0.510314198400 -0.460376761600 -0.757881007900 -1.311165150000 -1.050535288000
 -0.066034905170
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
 40.307380600000  2.011436063000
       2048.05000000
        309.09900000
         70.41410000
         19.70120000
          6.03145000
         10.22970000
          0.93409000
          0.28625000
  0.006201811976  0.001316692821
  0.045637958342  0.009609917403
  0.200045758796  0.046601297026
  0.473802571640  0.115809102354
  0.380812473230  0.102541784341
  0.028913728696  0.065279029306
  0.024673642722 -0.465893791739
 -0.005608681773 -0.639400936339
    6    1
  0.498132958300
         34.97120000
          7.84509000
          2.30332000
          0.72198000
          0.21553000
          0.05900000
  0.013152275326
  0.085614659783
  0.248343136667
  0.442040589255
  0.500944742537
 -0.083250416464
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator
