Atom = N Z = 7 Perdew - Burke - Ernzerhof GGA Log grid -- n,r0,rmax = 2001 8.2054163E-04 8.0000000E+01 Non-relativistic calculation all-electron results core states (zcore) = 2.00000000000000 1 1 0 2.0000000E+00 -2.8258497E+01 valence states (zvale) = 5.00000000000000 2 2 0 2.0000000E+00 -1.3639635E+00 3 2 1 3.0000000E+00 -5.2145008E-01 evale = -27.5918975362887 selfenergy contribution = 3.27324824026474 paw parameters: lmax = 1 rc = 1.30096713552798 irc = 1284 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 -1.3639635E+00 6.0557336E-01 2.0000000E+00 2 2 1 -5.2145008E-01 -3.5092722E+00 3.0000000E+00 evale from matrix elements -2.75918976145128900E+01