  PAW_PBE Zn 06Sep2000                   
   12.0000000000000     
 parameters from PSCTR are:
   VRHFIN =Zn: d10 p2
   LEXCH  = PE
   EATOM  =  1748.8345 eV,  128.5357 Ry

   TITEL  = PAW_PBE Zn 06Sep2000
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =    2.000    partial core radius
   POMASS =   65.390; ZVAL   =   12.000    mass and valenz
   RCORE  =    2.300    outmost cutoff radius
   RWIGS  =    2.400; RWIGS  =    1.270    wigner-seitz radius (au A)
   ENMAX  =  276.723; ENMIN  =  207.542 eV
   RCLOC  =    1.828    cutoff for local pot
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  575.892
   DEXC   =    0.000
   RMAX   =    2.347    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    2.324    radius for radial grids
   RDEPT  =    1.788    core radius for aug-charge
 
   Atomic configuration
    9 entries
     n  l   j            E        occ.
     1  0  0.50     -9524.6913   2.0000
     2  0  0.50     -1158.1882   2.0000
     2  1  1.50     -1003.8506   6.0000
     3  0  0.50      -129.2194   2.0000
     3  1  1.50       -83.3890   6.0000
     3  2  2.50       -10.1410  10.0000
     4  0  0.50        -5.9785   2.0000
     4  1  0.50        -4.0817   0.0000
     4  3  2.50        -1.3606   0.0000
   Description
     l       E           TYP  RCUT    TYP  RCUT
     2    -10.1410010     23  2.300
     2    -11.5015836     23  2.300
     0     -5.9785163     23  2.300
     0      1.1858015     23  2.300
     1     -2.7211652     23  2.300
     1     13.2444212     23  2.300
   Error from kinetic energy argument (eV)
   NDATA  =      100
   STEP   =   20.000   1.050
  90.0      89.1      88.6      87.6      87.1      86.0      84.8      84.2
  82.9      81.5      80.7      79.2      77.6      75.9      74.1      72.2
  70.3      68.3      66.2      63.0      60.8      58.6      55.2      52.9
  50.6      47.2      43.8      41.5      38.2      35.0      31.9      28.9
  26.0      23.3      20.8      18.4      15.5      13.5      11.1      9.53
  7.67      6.08      4.75      3.65      2.75      2.03      1.47     0.950
 0.649     0.388     0.222     0.139     0.773E-01 0.466E-01 0.324E-01 0.295E-01
 0.292E-01 0.286E-01 0.262E-01 0.221E-01 0.172E-01 0.124E-01 0.847E-02 0.533E-02
 0.382E-02 0.308E-02 0.292E-02 0.289E-02 0.270E-02 0.234E-02 0.178E-02 0.125E-02
 0.859E-03 0.651E-03 0.576E-03 0.568E-03 0.542E-03 0.466E-03 0.348E-03 0.250E-03
 0.184E-03 0.162E-03 0.158E-03 0.147E-03 0.120E-03 0.880E-04 0.656E-04 0.568E-04
 0.552E-04 0.502E-04 0.390E-04 0.291E-04 0.237E-04 0.228E-04 0.208E-04 0.164E-04
 0.122E-04 0.108E-04 0.103E-04 0.870E-05
END of PSCTR-controll parameters
 local part
   81.2582175088937     

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 End of Dataset
