  PAW_PBE C 08Apr2002                    
   4.00000000000000     
 parameters from PSCTR are:
   VRHFIN =C: s2p2
   LEXCH  = PE
   EATOM  =   147.1560 eV,   10.8157 Ry

   TITEL  = PAW_PBE C 08Apr2002
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =    1.200    partial core radius
   POMASS =   12.011; ZVAL   =    4.000    mass and valenz
   RCORE  =    1.500    outmost cutoff radius
   RWIGS  =    1.630; RWIGS  =    0.863    wigner-seitz radius (au A)
   ENMAX  =  400.000; ENMIN  =  300.000 eV
   ICORE  =        2    local potential
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  644.873
   DEXC   =    0.000
   RMAX   =    1.529    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    1.501    radius for radial grids
   RDEPT  =    1.300    core radius for aug-charge
 
   Atomic configuration
    4 entries
     n  l   j            E        occ.
     1  0  0.50      -273.3789   2.0000
     2  0  0.50       -13.7508   2.0000
     2  1  0.50        -5.2854   2.0000
     3  2  1.50        -5.4423   0.0000
   Description
     l       E           TYP  RCUT    TYP  RCUT
     0    -13.7508458     23  1.200
     0     -8.2022199     23  1.200
     1     -5.2854383     23  1.500
     1     34.0145650     23  1.500
     2     -5.4423304      7  1.500
   Error from kinetic energy argument (eV)
   NDATA  =      100
   STEP   =   20.000   1.050
  51.3      49.5      48.6      46.8      45.9      44.1      42.4      41.6
  39.9      38.2      37.4      35.8      34.3      32.8      31.4      30.0
  28.6      27.3      26.1      24.3      23.2      22.1      20.5      19.6
  18.6      17.3      16.0      15.2      14.1      13.1      12.1      11.1
  10.3      9.47      8.72      8.02      7.15      6.55      5.82      5.31
  4.69      4.13      3.63      3.17      2.76      2.40      2.07      1.72
  1.47      1.20     0.971     0.815     0.650     0.512     0.380     0.292
 0.222     0.158     0.110     0.748E-01 0.504E-01 0.337E-01 0.227E-01 0.149E-01
 0.111E-01 0.869E-02 0.756E-02 0.700E-02 0.657E-02 0.614E-02 0.551E-02 0.474E-02
 0.392E-02 0.314E-02 0.237E-02 0.184E-02 0.143E-02 0.118E-02 0.104E-02 0.993E-03
 0.959E-03 0.910E-03 0.829E-03 0.707E-03 0.570E-03 0.442E-03 0.343E-03 0.275E-03
 0.245E-03 0.238E-03 0.236E-03 0.227E-03 0.202E-03 0.169E-03 0.131E-03 0.102E-03
 0.851E-04 0.796E-04 0.787E-04 0.761E-04
END of PSCTR-controll parameters
 local part
   124.721915246209     

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 End of Dataset
