  PAW_PBE Ca_sv 06Sep2000                
   10.0000000000000     
 parameters from PSCTR are:
   VRHFIN =Ca: 3s3p4s
   LEXCH  = PE
   EATOM  =  1006.0909 eV,   73.9456 Ry

   TITEL  = PAW_PBE Ca_sv 06Sep2000
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =    2.000    partial core radius
   POMASS =   40.078; ZVAL   =   10.000    mass and valenz
   RCORE  =    2.300    outmost cutoff radius
   RWIGS  =    2.500; RWIGS  =    1.323    wigner-seitz radius (au A)
   ENMAX  =  266.622; ENMIN  =  199.967 eV
   RCLOC  =    1.808    cutoff for local pot
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  420.852
   RMAX   =    2.359    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    2.392    radius for radial grids
   RDEPT  =    1.987    core radius for aug-charge
 
   Atomic configuration
    7 entries
     n  l   j            E        occ.
     1  0  0.50     -3949.1705   2.0000
     2  0  0.50      -414.3434   2.0000
     2  1  1.50      -334.7047   6.0000
     3  0  0.50       -47.0896   2.0000
     4  0  0.50        -3.7663   2.0000
     3  1  1.50       -28.0061   6.0000
     3  2  1.50        -4.0817   0.0000
   Description
     l       E           TYP  RCUT    TYP  RCUT
     0    -47.0896403     23  2.300
     0     -3.7663320     23  2.300
     1    -28.0060855     23  2.300
     1      6.8029130     23  2.300
     2     -4.0817478     23  2.300
     2      0.4464412     23  2.300
   Error from kinetic energy argument (eV)
   NDATA  =      100
   STEP   =   20.000   1.050
  175.      171.      169.      164.      162.      157.      152.      149.
  144.      138.      136.      130.      124.      119.      113.      107.
  102.      96.2      90.7      82.8      77.6      72.6      65.5      60.9
  56.5      50.2      44.4      40.8      35.8      31.2      27.0      23.2
  19.9      16.9      14.2      11.9      9.34      7.71      5.89      4.78
  3.57      2.62      1.90      1.36     0.958     0.666     0.458     0.286
 0.196     0.126     0.850E-01 0.651E-01 0.497E-01 0.401E-01 0.322E-01 0.269E-01
 0.224E-01 0.175E-01 0.135E-01 0.103E-01 0.799E-02 0.633E-02 0.518E-02 0.426E-02
 0.367E-02 0.310E-02 0.258E-02 0.212E-02 0.167E-02 0.136E-02 0.110E-02 0.916E-03
 0.786E-03 0.680E-03 0.572E-03 0.483E-03 0.395E-03 0.325E-03 0.268E-03 0.232E-03
 0.201E-03 0.172E-03 0.145E-03 0.118E-03 0.981E-04 0.839E-04 0.732E-04 0.625E-04
 0.522E-04 0.433E-04 0.362E-04 0.316E-04 0.271E-04 0.229E-04 0.189E-04 0.160E-04
 0.139E-04 0.120E-04 0.990E-05 0.835E-05
END of PSCTR-controll parameters
 
# ALL DATA WAS REMOVED BEYOND THIS POINT
 
 End of Dataset
