Atom = Na Z = 11 Perdew - Burke - Ernzerhof GGA Log grid -- n,r0,rmax = 2001 5.4108909E-04 8.0000000E+01 Non-relativistic calculation all-electron results core states (zcore) = 2.00000000000000 1 1 0 2.0000000E+00 -7.5850751E+01 valence states (zvale) = 9.00000000000000 2 2 0 2.0000000E+00 -4.1569230E+00 3 3 0 1.0000000E+00 -2.0143904E-01 4 2 1 6.0000000E+00 -2.1093673E+00 evale = -109.040497139613 selfenergy contribution = 9.46471302943872 paw parameters: lmax = 1 rc = 1.80456999896897 irc = 1364 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 -4.1569230E+00 9.3213711E-01 2.0000000E+00 2 3 0 -2.0143904E-01 -7.2367381E+01 1.0000000E+00 3 2 1 -2.1093673E+00 4.7399905E+00 6.0000000E+00 4 999 1 2.0000000E+00 -6.7015973E+00 0.0000000E+00 evale from matrix elements -1.09040497216799800E+02