Atom = P Z = 15 Perdew - Burke - Ernzerhof GGA 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 -1.5271589E+02 valence states (zvale) = 13.0000000000000 2 2 0 2.0000000E+00 -1.2719752E+01 3 3 0 2.0000000E+00 -1.0212851E+00 4 2 1 6.0000000E+00 -9.1511441E+00 5 3 1 3.0000000E+00 -4.0553194E-01 evale = -268.781199392803 selfenergy contribution = 16.9307480091869 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 -1.2719752E+01 2.1030921E+00 2.0000000E+00 2 3 0 -1.0212851E+00 -2.5835456E+00 2.0000000E+00 3 2 1 -9.1511441E+00 4.1487338E+00 6.0000000E+00 4 3 1 -4.0553194E-01 -9.0949273E+00 3.0000000E+00 evale from matrix elements -2.68781199212220700E+02