Atom = P Z = 15 Perdew-Wang correlation Linear grid -- n,rmax = 20001 5.0000000E+01 Non-relativistic calculation all-electron results core states (zcore) = 2 1 1 0 2.0000000E+00 -1.5212366E+02 valence states (zvale) = 13 2 2 0 2.0000000E+00 -1.2658279E+01 3 3 0 2.0000000E+00 -1.0246283E+00 4 2 1 6.0000000E+00 -9.1528268E+00 5 3 1 3.0000000E+00 -4.1213322E-01 evale = -266.539240180269 selfenergy contribution = 16.8967631060628 paw parameters: lmax = 1 rc = 1.51000000000000 irc = 605 Vloc: Norm-conserving Troullier-Martins form; l= 2;e= 0.0000E+00 Projector method: Vanderbilt Sinc^2 compensation charge shape zeroed at rc Number of basis functions 4 No. n l Energy Cp coeff Occ 1 2 0 -1.2658279E+01 2.1520259E+00 2.0000000E+00 2 3 0 -1.0246283E+00 -2.7189198E+00 2.0000000E+00 3 2 1 -9.1528268E+00 4.2777274E+00 6.0000000E+00 4 3 1 -4.1213322E-01 -9.5507391E+00 3.0000000E+00 evale from matrix elements -2.66539263196700801E+02