  PAW_PBE P 06Sep2000                    
   5.00000000000000     
 parameters from PSCTR are:
   VRHFIN =P : s2p3
   LEXCH  = PE
   EATOM  =   176.0430 eV,   12.9388 Ry

   TITEL  = PAW_PBE P 06Sep2000
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =    1.500    partial core radius
   POMASS =   30.974; ZVAL   =    5.000    mass and valenz
   RCORE  =    1.900    outmost cutoff radius
   RWIGS  =    2.330; RWIGS  =    1.233    wigner-seitz radius (au A)
   ENMAX  =  255.040; ENMIN  =  191.280 eV
   ICORE  =        2    local potential
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  342.924
   DEXC   =    0.000
   RMAX   =    1.935    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    1.931    radius for radial grids
   RDEPT  =    1.794    core radius for aug-charge
 
   Atomic configuration
    6 entries
     n  l   j            E        occ.
     1  0  0.50     -2084.0982   2.0000
     2  0  0.50      -173.9859   2.0000
     2  1  1.50      -124.4865   6.0000
     3  0  0.50       -13.9692   2.0000
     3  1  0.50        -5.5067   3.0000
     3  2  1.50        -5.4423   0.0000
   Description
     l       E           TYP  RCUT    TYP  RCUT
     0    -13.9691527     23  1.900
     0    -11.7794650     23  1.900
     1     -5.5066937     23  1.900
     1     -0.2556953     23  1.900
     2     -5.4423304     23  1.900
   Error from kinetic energy argument (eV)
   NDATA  =      100
   STEP   =   20.000   1.050
  32.8      30.5      29.4      27.3      26.3      24.3      22.4      21.5
  19.8      18.2      17.4      16.0      14.6      13.3      12.2      11.1
  10.1      9.17      8.33      7.19      6.52      5.90      5.08      4.59
  4.14      3.55      3.04      2.74      2.34      2.00      1.71      1.46
  1.24      1.06     0.898     0.763     0.614     0.522     0.419     0.356
 0.285     0.229     0.183     0.147     0.117     0.937E-01 0.745E-01 0.557E-01
 0.439E-01 0.324E-01 0.236E-01 0.182E-01 0.131E-01 0.934E-02 0.628E-02 0.462E-02
 0.356E-02 0.285E-02 0.252E-02 0.240E-02 0.235E-02 0.231E-02 0.221E-02 0.203E-02
 0.181E-02 0.153E-02 0.125E-02 0.100E-02 0.784E-03 0.658E-03 0.575E-03 0.534E-03
 0.511E-03 0.486E-03 0.444E-03 0.394E-03 0.331E-03 0.273E-03 0.224E-03 0.196E-03
 0.178E-03 0.168E-03 0.157E-03 0.139E-03 0.119E-03 0.993E-04 0.846E-04 0.751E-04
 0.696E-04 0.645E-04 0.570E-04 0.491E-04 0.411E-04 0.361E-04 0.331E-04 0.304E-04
 0.268E-04 0.231E-04 0.196E-04 0.177E-04
END of PSCTR-controll parameters

# ALL DATA WAS REMOVED BEYOND THIS POINT

End of Dataset
