Atom = Ne Z = 10 Perdew-Wang correlation Integration params -- n,rmax = 20000 5.0000000E+01 all-electron results core states (zcore) = 2 1 1 0 2.0000000E+00 -6.0611541E+01 valence states (zvale) = 8 2 2 0 2.0000000E+00 -2.6452024E+00 3 2 1 6.0000000E+00 -9.9569417E-01 evale = -80.6426115248842 paw parameters: lmax = 1 rc = 2.71000000000000 irc = 1084 Vloc form: Norm-conserving Troullier-Martins function; l = 2; e = 0.0000000E Number of basis functions 2 No. n l Energy Cp coeff Occ 1 2 0 -2.6452024E+00 3.6845220E+00 2.0000000E+00 2 2 1 -9.9569417E-01 5.1600122E+00 6.0000000E+00 evale from matrix elements -8.06426136564401500E+01 PAW results for new configuration 1 2 0 2.0000000E+00 -2.6452024E+00 2 2 1 6.0000000E+00 -9.9569408E-01 evale from matrix elements -8.06426136564542500E+01