Atom = Ca  Z =   20
 Perdew-Wang correlation
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 -2.8787030E+02
    2    2    0  2.0000000E+00 -3.0093329E+01
    5    2    1  6.0000000E+00 -2.4570287E+01
  valence states (zvale) =   10.0000000000000
    3    3    0  2.0000000E+00 -3.4121993E+00
    4    4    0  2.0000000E+00 -2.8293486E-01
    6    3    1  6.0000000E+00 -2.0607191E+00
    7    3    2  0.0000000E+00 -1.6596763E-01
 evale =  -129.553192549281
 selfenergy contribution =   6.26058556844826
  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 -3.4121993E+00  9.1269691E+00  2.0000000E+00
    2    4    0 -2.8293486E-01  9.7456845E+01  2.0000000E+00
    3    3    1 -2.0607191E+00  7.0139588E-01  6.0000000E+00
    4  999    1  2.0000000E+00  7.3562790E-01  0.0000000E+00
    5    3    2 -1.6596763E-01 -4.1537279E+00  0.0000000E+00
evale from matrix elements -1.29553221744290000E+02