Atom = K Z = 19 Perdew-Wang correlation Log grid -- n,r0,rmax = 2001 3.2655142E-04 8.0000000E+01 Non-relativistic calculation all-electron results core states (zcore) = 10.0000000000000 1 1 0 2.0000000E+00 -2.5682974E+02 2 2 0 2.0000000E+00 -2.5677515E+01 5 2 1 6.0000000E+00 -2.0567228E+01 valence states (zvale) = 9.00000000000000 3 3 0 2.0000000E+00 -2.5633487E+00 4 4 0 1.0000000E+00 -1.7774038E-01 6 3 1 6.0000000E+00 -1.3871554E+00 7 4 1 0.0000000E+00 -6.2201431E-02 evale = -109.419636981564 selfenergy contribution = 5.38028062671920 paw parameters: lmax = 1 rc = 2.50879469345459 irc = 1443 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 3 0 -2.5633487E+00 2.7336945E+00 2.0000000E+00 2 4 0 -1.7774038E-01 7.3837485E+01 1.0000000E+00 3 3 1 -1.3871554E+00 1.9559003E+00 6.0000000E+00 4 4 1 -6.2201431E-02 1.2673204E+02 0.0000000E+00 evale from matrix elements -1.09419636960888212E+02