Atom = Ca  Z =   20
 Perdew - Burke - Ernzerhof GGA
Linear grid --  n,rmax = 20001  5.0000000E+01
 Non-relativistic calculation
  all-electron results 
  core states (zcore) =   10.0000000000000
    1    1    0  2.0000000E+00 -2.8869812E+02
    2    2    0  2.0000000E+00 -3.0183457E+01
    5    2    1  6.0000000E+00 -2.4582077E+01
  valence states (zvale) =   10.0000000000000
    3    3    0  2.0000000E+00 -3.4313702E+00
    4    4    0  2.0000000E+00 -2.7586348E-01
    6    3    1  6.0000000E+00 -2.0623057E+00
    7    3    2  0.0000000E+00 -1.5205636E-01
 evale =  -132.864435064464
 selfenergy contribution =   6.26668419848827
  paw parameters: 
       lmax =   2
         rc =   1.90000000000000
        irc =   761
 Vloc: Norm-conserving Troullier-Martins form; l= 3;e=   0.0000E+00
 Projector method: Vanderbilt (polynomial pseudization)
 Sinc^2 compensation charge shape zeroed at rc

Number of basis functions     5
 No.   n    l      Energy         Cp coeff         Occ
    1    3    0 -3.4313702E+00  8.7116684E+00  2.0000000E+00
    2    4    0 -2.7586348E-01  1.0038037E+02  2.0000000E+00
    3    3    1 -2.0623057E+00  7.6107857E-01  6.0000000E+00
    4  999    1  2.0000000E+00  8.1354959E-01  0.0000000E+00
    5    3    2 -1.5205636E-01 -4.2732581E+00  0.0000000E+00
evale from matrix elements -1.32864464511628300E+02