Atom = F Z = 9 Perdew - Burke - Ernzerhof GGA Log grid -- n,r0,rmax = 2001 6.5105301E-04 8.0000000E+01 Non-relativistic calculation all-electron results core states (zcore) = 2.00000000000000 1 1 0 2.0000000E+00 -4.8703367E+01 valence states (zvale) = 7.00000000000000 2 2 0 2.0000000E+00 -2.1917082E+00 3 2 1 5.0000000E+00 -8.1740828E-01 evale = -59.0305835655848 selfenergy contribution = 6.07202622371210 paw parameters: lmax = 1 rc = 1.51397526974299 irc = 1324 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 -2.1917082E+00 9.8949643E+00 2.0000000E+00 2 999 0 2.0000000E+00 5.9329530E+00 0.0000000E+00 3 2 1 -8.1740828E-01 -8.7976142E+00 5.0000000E+00 4 999 1 2.0000000E+00 -4.0631521E+00 0.0000000E+00 evale from matrix elements -5.90305836288599295E+01