Atom = V Z = 23 Perdew-Wang correlation Log grid -- n,r0,rmax = 2001 2.7360551E-04 8.0000000E+01 Non-relativistic calculation all-electron results core states (zcore) = 10.0000000000000 1 1 0 2.0000000E+00 -3.9044814E+02 2 2 0 2.0000000E+00 -4.3630522E+01 5 2 1 6.0000000E+00 -3.6870227E+01 valence states (zvale) = 13.0000000000000 3 3 0 2.0000000E+00 -5.0535029E+00 4 4 0 2.0000000E+00 -3.5203919E-01 6 3 1 6.0000000E+00 -3.2207372E+00 7 4 1 0.0000000E+00 -1.1342272E-01 8 3 2 3.0000000E+00 -4.0905455E-01 evale = -208.586797895125 selfenergy contribution = 9.71681267232615 paw parameters: lmax = 2 rc = 2.10557484600039 irc = 1423 Vloc: Norm-conserving Troullier-Martins form; l= 3;e= 0.0000E+00 Projector method: Vanderbilt (polynomial pseudization) Sinc^2 compensation charge shape zeroed at rc Number of basis functions 6 No. n l Energy Cp coeff Occ 1 3 0 -5.0535029E+00 1.1507900E+00 2.0000000E+00 2 4 0 -3.5203919E-01 4.0640495E-01 2.0000000E+00 3 3 1 -3.2207372E+00 1.6469823E+00 6.0000000E+00 4 4 1 -1.1342272E-01 -5.6147574E+01 0.0000000E+00 5 3 2 -4.0905455E-01 2.2831973E+00 3.0000000E+00 6 999 2 2.0000000E+00 -5.3320488E+00 0.0000000E+00 evale from matrix elements -2.08586798085149100E+02