Atom = Co Z = 27 Perdew-Wang correlation Log grid -- n,r0,rmax = 2001 2.3582329E-04 8.0000000E+01 Non-relativistic calculation all-electron results core states (zcore) = 10.0000000000000 1 1 0 2.0000000E+00 -5.5123345E+02 2 2 0 2.0000000E+00 -6.4759405E+01 5 2 1 6.0000000E+00 -5.6304102E+01 valence states (zvale) = 17.0000000000000 3 3 0 2.0000000E+00 -7.3032968E+00 4 4 0 2.0000000E+00 -4.0904629E-01 6 3 1 6.0000000E+00 -4.7762467E+00 7 4 1 0.0000000E+00 -1.0418504E-01 8 3 2 7.0000000E+00 -6.4445271E-01 evale = -369.605616608029 selfenergy contribution = 15.7523369198105 paw parameters: lmax = 2 rc = 2.00428323970962 irc = 1422 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 -7.3032968E+00 3.3877743E+00 2.0000000E+00 2 4 0 -4.0904629E-01 -1.0388012E+01 2.0000000E+00 3 3 1 -4.7762467E+00 4.7669934E+00 6.0000000E+00 4 4 1 -1.0418504E-01 -5.3270504E+01 0.0000000E+00 5 3 2 -6.4445271E-01 5.2394567E+00 7.0000000E+00 6 999 2 2.0000000E+00 -7.9920086E+00 0.0000000E+00 evale from matrix elements -3.69605616871690400E+02