Atom = Si Z = 14 Perdew-Wang correlation Log grid -- n,r0,rmax = 2001 4.3309254E-04 8.0000000E+01 Non-relativistic calculation all-electron results core states (zcore) = 2.00000000000000 1 1 0 2.0000000E+00 -1.3036860E+02 valence states (zvale) = 12.0000000000000 2 2 0 2.0000000E+00 -1.0149628E+01 3 3 0 2.0000000E+00 -7.9623458E-01 4 2 1 6.0000000E+00 -7.0293986E+00 5 3 1 2.0000000E+00 -3.0661972E-01 evale = -218.547937634399 selfenergy contribution = 14.9078767541398 paw parameters: lmax = 1 rc = 1.50724900617874 irc = 1346 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 -1.0149628E+01 1.4937606E+00 2.0000000E+00 2 3 0 -7.9623458E-01 -4.2749710E+00 2.0000000E+00 3 2 1 -7.0293986E+00 3.5525768E+00 6.0000000E+00 4 3 1 -3.0661972E-01 -1.9120504E+01 2.0000000E+00 evale from matrix elements -2.18547937572798600E+02