Atom = Fe  Z =   26
 Perdew-Wang correlation
Log grid -- n,r0,rmax =  2001  2.4422055E-04  8.0000000E+01
 Non-relativistic calculation
  all-electron results 
  core states (zcore) =   10.0000000000000
    1    1    0  2.0000000E+00 -5.0845118E+02
    2    2    0  2.0000000E+00 -5.9129606E+01
    5    2    1  6.0000000E+00 -5.1103440E+01
  valence states (zvale) =   16.0000000000000
    3    3    0  2.0000000E+00 -6.7209243E+00
    4    4    0  2.0000000E+00 -3.9602003E-01
    6    3    1  6.0000000E+00 -4.3747330E+00
    7    4    1  0.0000000E+00 -1.0716486E-01
    8    3    2  6.0000000E+00 -5.8983028E-01
 evale =  -322.561199070562
 selfenergy contribution =   14.0986134352439
  paw parameters: 
       lmax =   2
         rc =   2.10331746919945
        irc =   1428
 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     6
 No.   n    l      Energy         Cp coeff         Occ
    1    3    0 -6.7209243E+00  3.7359566E+00  2.0000000E+00
    2    4    0 -3.9602003E-01 -1.0601480E+01  2.0000000E+00
    3    3    1 -4.3747330E+00  5.1911402E+00  6.0000000E+00
    4    4    1 -1.0716486E-01 -5.2608377E+01  0.0000000E+00
    5    3    2 -5.8983028E-01  5.9044884E+00  6.0000000E+00
    6  999    2  2.0000000E+00 -7.6063346E+00  0.0000000E+00
evale from matrix elements -3.22561199266762200E+02