Atom = P Z = 15 Perdew-Wang correlation Log grid -- n,r0,rmax = 2001 4.0634468E-04 8.0000000E+01 Non-relativistic calculation all-electron results core states (zcore) = 2.00000000000000 1 1 0 2.0000000E+00 -1.5212363E+02 valence states (zvale) = 13.0000000000000 2 2 0 2.0000000E+00 -1.2658276E+01 3 3 0 2.0000000E+00 -1.0246273E+00 4 2 1 6.0000000E+00 -9.1528230E+00 5 3 1 3.0000000E+00 -4.1213236E-01 evale = -266.539192852021 selfenergy contribution = 16.8967610484957 paw parameters: lmax = 1 rc = 1.51256558455617 irc = 1350 Vloc: Norm-conserving Troullier-Martins form; l= 2;e= 0.0000E+00 Projector method: Vanderbilt (polynomial pseudization) Sinc^2 compensation charge shape zeroed at rc Number of basis functions 4 No. n l Energy Cp coeff Occ 1 2 0 -1.2658276E+01 2.2043404E+00 2.0000000E+00 2 3 0 -1.0246273E+00 -2.5919248E+00 2.0000000E+00 3 2 1 -9.1528230E+00 4.3727206E+00 6.0000000E+00 4 3 1 -4.1213236E-01 -9.2539074E+00 3.0000000E+00 evale from matrix elements -2.66539192679278300E+02