Atom = C Z = 6 Perdew - Burke - Ernzerhof GGA Linear grid -- n,rmax = 20001 5.0000000E+01 Non-relativistic calculation all-electron results core states (zcore) = 2.00000000000000 1 1 0 2.0000000E+00 -2.0084064E+01 valence states (zvale) = 4.00000000000000 2 2 0 2.0000000E+00 -1.0098008E+00 3 2 1 2.0000000E+00 -3.8870650E-01 evale = -17.7573511298974 selfenergy contribution = 2.19606700363857 paw parameters: lmax = 1 rc = 1.00000000000000 irc = 401 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 2 No. n l Energy Cp coeff Occ 1 2 0 -1.0098008E+00 1.4458212E+00 2.0000000E+00 2 2 1 -3.8870650E-01 -1.0652366E+01 2.0000000E+00 evale from matrix elements -1.77573510982752700E+01