Atom = Si Z = 14 Perdew - Burke - Ernzerhof GGA 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 -1.3091500E+02 valence states (zvale) = 12.0000000000000 2 2 0 2.0000000E+00 -1.0204810E+01 3 3 0 2.0000000E+00 -7.9146109E-01 4 2 1 6.0000000E+00 -7.0257978E+00 5 3 1 2.0000000E+00 -3.0063392E-01 evale = -220.597582528648 selfenergy contribution = 14.9375878550652 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 -1.0204810E+01 1.4493049E+00 2.0000000E+00 2 3 0 -7.9146109E-01 -3.9545556E+00 2.0000000E+00 3 2 1 -7.0257978E+00 3.4002596E+00 6.0000000E+00 4 3 1 -3.0063392E-01 -1.8652981E+01 2.0000000E+00 evale from matrix elements -2.20597582469729500E+02