Atom = C Z = 6 Perdew-Wang correlation Log grid -- n,r0,rmax = 2001 9.4548737E-04 8.0000000E+01 Non-relativistic calculation all-electron results core states (zcore) = 2.00000000000000 1 1 0 2.0000000E+00 -1.9895104E+01 valence states (zvale) = 4.00000000000000 2 2 0 2.0000000E+00 -1.0016119E+00 3 2 1 2.0000000E+00 -3.9828763E-01 evale = -17.0691384251957 selfenergy contribution = 2.19105335803677 paw parameters: lmax = 1 rc = 1.30052589333644 irc = 1275 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 -1.0016119E+00 9.3028375E-01 2.0000000E+00 2 2 1 -3.9828763E-01 -6.7236356E+00 2.0000000E+00 evale from matrix elements -1.70691384142726900E+01