  PAW_PBE V 08Apr2002                    
   5.00000000000000     
 parameters from PSCTR are:
   VRHFIN =V: p6 d4 s1
   LEXCH  = PE
   EATOM  =   170.8679 eV,   12.5584 Ry

   TITEL  = PAW_PBE V 08Apr2002
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =    2.000    partial core radius
   POMASS =   50.941; ZVAL   =    5.000    mass and valenz
   RCORE  =    2.700    outmost cutoff radius
   RWIGS  =    2.500; RWIGS  =    1.323    wigner-seitz radius (au A)
   ENMAX  =  192.543; ENMIN  =  144.408 eV
   RCLOC  =    1.779    cutoff for local pot
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  358.662
   DEXC   =    0.000
   RMAX   =    2.768    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    2.762    radius for radial grids
   RDEPT  =    2.240    core radius for aug-charge
 
   Atomic configuration
    9 entries
     n  l   j            E        occ.
     1  0  0.50     -5360.7193   2.0000
     2  0  0.50      -598.4546   2.0000
     2  1  1.50      -499.0155   6.0000
     3  0  0.50       -66.5711   2.0000
     3  1  1.50       -40.5282   6.0000
     3  2  2.50        -2.4291   4.0000
     4  0  0.50        -3.8743   1.0000
     4  1  0.50        -2.7212   0.0000
     4  3  2.50        -1.3606   0.0000
   Description
     l       E           TYP  RCUT    TYP  RCUT
     2     -2.4290901     23  2.700
     2     -3.7896727     23  2.700
     0     -3.8742752     23  2.700
     0     27.2116520     23  2.700
     1     -2.7211652     23  2.700
     1     27.2116520     23  2.700
   Error from kinetic energy argument (eV)
   NDATA  =      100
   STEP   =   20.000   1.050
  39.7      38.6      38.0      36.9      36.3      35.0      33.8      33.1
  31.8      30.5      29.9      28.5      27.2      25.8      24.5      23.2
  21.9      20.6      19.3      17.5      16.3      15.2      13.5      12.5
  11.5      10.1      8.78      7.98      6.85      5.84      4.93      4.13
  3.42      2.80      2.27      1.82      1.33      1.03     0.719     0.538
 0.355     0.226     0.138     0.817E-01 0.470E-01 0.274E-01 0.173E-01 0.124E-01
 0.114E-01 0.113E-01 0.110E-01 0.103E-01 0.883E-02 0.700E-02 0.483E-02 0.334E-02
 0.226E-02 0.150E-02 0.119E-02 0.112E-02 0.111E-02 0.106E-02 0.933E-03 0.723E-03
 0.537E-03 0.365E-03 0.265E-03 0.226E-03 0.219E-03 0.213E-03 0.188E-03 0.147E-03
 0.106E-03 0.771E-04 0.640E-04 0.619E-04 0.595E-04 0.514E-04 0.381E-04 0.282E-04
 0.230E-04 0.220E-04 0.209E-04 0.173E-04 0.127E-04 0.996E-05 0.924E-05 0.880E-05
 0.731E-05 0.550E-05 0.449E-05 0.431E-05 0.386E-05 0.301E-05 0.238E-05 0.223E-05
 0.202E-05 0.159E-05 0.129E-05 0.123E-05
END of PSCTR-controll parameters
 local part
   69.9198615774202     

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 End of Dataset
