PAW_PBE Na 08Apr2002
 1.00000000000000000
 parameters from PSCTR are:
   VRHFIN =Na: s1p0
   LEXCH  = PE
   EATOM  =     5.1581 eV,     .3791 Ry

   TITEL  = PAW_PBE Na 08Apr2002
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =    1.800    partial core radius
   POMASS =   22.990; ZVAL   =    1.000    mass and valenz
   RCORE  =    2.200    outmost cutoff radius
   RWIGS  =    3.320; RWIGS  =    1.757    wigner-seitz radius (au A)
   ENMAX  =  101.968; ENMIN  =   76.476 eV
   ICORE  =        2    local potential
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  250.695
   DEXC   =    -.224
   RMAX   =    4.566    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    2.259    radius for radial grids
   QCUT   =   -2.738; QGAM   =    5.475    optimization parameters

   Description
     l     E      TYP  RCUT    TYP  RCUT
     0   .000     23  2.200
     0  2.000     23  2.200
     1   .000     23  2.200
     2   .000     23  2.200
   Error from kinetic energy argument (eV)
   NDATA  =      100
   STEP   =   20.000   1.050
  .348      .334      .326      .310      .302      .284      .267      .258
  .240      .222      .214      .197      .181      .166      .151      .137
  .124      .112      .101      .853E-01  .760E-01  .674E-01  .559E-01  .490E-01
  .428E-01  .347E-01  .277E-01  .237E-01  .186E-01  .143E-01  .109E-01  .814E-02
  .600E-02  .437E-02  .315E-02  .227E-02  .150E-02  .115E-02  .878E-03  .781E-03
  .729E-03  .720E-03  .719E-03  .706E-03  .674E-03  .622E-03  .554E-03  .458E-03
  .380E-03  .292E-03  .221E-03  .179E-03  .144E-03  .125E-03  .118E-03  .117E-03
  .116E-03  .112E-03  .102E-03  .878E-04  .713E-04  .558E-04  .437E-04  .350E-04
  .317E-04  .309E-04  .307E-04  .295E-04  .259E-04  .215E-04  .163E-04  .124E-04
  .103E-04  .973E-05  .968E-05  .927E-05  .801E-05  .626E-05  .453E-05  .365E-05
  .338E-05  .335E-05  .313E-05  .253E-05  .185E-05  .142E-05  .129E-05  .127E-05
  .116E-05  .917E-06  .668E-06  .563E-06  .549E-06  .520E-06  .423E-06  .321E-06
  .275E-06  .272E-06  .250E-06  .201E-06
END of PSCTR-controll parameters
 local part
 85.0376694860515556
End of Dataset
  PAW_PBE Pd 04Jan2005
   10.0000000000000
 parameters from PSCTR are:
   SHA256 =  dd6f6f02930356371984e2b707ff5e456046761dc76b07c1eba30abd15eb3c39 Pd/POTCAR
   COPYR  = (c) Copyright 04Jan2005 Georg Kresse
   COPYR  = This file is part of the software VASP. Any use, copying, and all other rights are regulated by the VASP license agreement.
   COPYR  = If you do not have a valid VASP license, you may not use, copy or distribute this file.
   VRHFIN =Pd : s1 d9
   LEXCH  = PE
   EATOM  =   809.7530 eV,   59.5152 Ry

   TITEL  = PAW_PBE Pd 04Jan2005
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =    2.000    partial core radius
   POMASS =  106.420; ZVAL   =   10.000    mass and valenz
   RCORE  =    2.600    outmost cutoff radius
   RWIGS  =    2.710; RWIGS  =    1.434    wigner-seitz radius (au A)
   ENMAX  =  250.925; ENMIN  =  188.194 eV
   ICORE  =        3    local potential
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  416.230
   DEXC   =    0.000
   RMAX   =    2.653    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    2.734    radius for radial grids
   RDEPT  =    2.103    core radius for aug-charge

   Atomic configuration
   12 entries
     n  l   j            E        occ.
     1  0  0.50    -24164.6631   2.0000
     2  0  0.50     -3530.9218   2.0000
     2  1  1.50     -3165.6822   6.0000
     3  0  0.50      -639.4577   2.0000
     3  1  1.50      -519.4532   6.0000
     3  2  2.50      -328.9757  10.0000
     4  0  0.50       -88.7014   2.0000
     4  1  1.50       -54.4540   6.0000
     4  2  2.50        -6.6878   9.0000
     5  0  0.50        -4.3543   1.0000
     5  1  0.50        -1.3606   0.0000
     4  3  2.50        -1.3606   0.0000
   Description
     l       E           TYP  RCUT    TYP  RCUT
     2     -6.6878251     23  2.400
     2     -8.0484077     23  2.400
     0     -4.3542939     23  2.400
     0      4.3406793     23  2.400
     1     -4.0817478     23  2.600
     1     15.8380318     23  2.600
     3     -4.0817478     23  2.400
   Error from kinetic energy argument (eV)
   NDATA  =      100
   STEP   =   20.000   1.050
  187.      185.      183.      180.      179.      176.      172.      170.
  167.      163.      161.      157.      152.      148.      143.      138.
  133.      128.      123.      116.      111.      106.      97.9      92.9
  87.9      80.6      73.5      69.0      62.3      56.0      50.0      44.4
  39.2      34.4      30.0      25.9      21.1      17.9      14.3      11.9
  9.19      6.98      5.20      3.80      2.71      1.88      1.27     0.748
 0.473     0.257     0.140     0.903E-01 0.621E-01 0.533E-01 0.520E-01 0.514E-01
 0.485E-01 0.418E-01 0.330E-01 0.239E-01 0.163E-01 0.107E-01 0.732E-02 0.553E-02
 0.511E-02 0.506E-02 0.489E-02 0.437E-02 0.343E-02 0.254E-02 0.171E-02 0.121E-02
 0.102E-02 0.985E-03 0.964E-03 0.875E-03 0.698E-03 0.505E-03 0.351E-03 0.290E-03
 0.277E-03 0.269E-03 0.237E-03 0.179E-03 0.127E-03 0.103E-03 0.979E-04 0.940E-04
 0.788E-04 0.584E-04 0.442E-04 0.409E-04 0.395E-04 0.334E-04 0.247E-04 0.199E-04
 0.190E-04 0.176E-04 0.134E-04 0.105E-04
END of PSCTR-controll parameters
 local part
   71.8095875659991
End of Dataset
