Atom = Zn Z = 30 Perdew - Burke - Ernzerhof GGA Log grid -- n,r0,rmax = 2001 2.1386956E-04 8.0000000E+01 Non-relativistic calculation all-electron results core states (zcore) = 10.0000000000000 1 1 0 2.0000000E+00 -6.9126557E+02 2 2 0 2.0000000E+00 -8.3212952E+01 5 2 1 6.0000000E+00 -7.3339458E+01 valence states (zvale) = 20.0000000000000 3 3 0 2.0000000E+00 -9.1892766E+00 4 4 0 2.0000000E+00 -4.2816505E-01 6 3 1 6.0000000E+00 -6.0541930E+00 7 4 1 0.0000000E+00 -8.5216867E-02 8 3 2 1.0000000E+01 -7.7663072E-01 evale = -547.015320883382 selfenergy contribution = 21.2918637668170 paw parameters: lmax = 2 rc = 1.91124508048284 irc = 1419 Vloc: Norm-conserving Troullier-Martins form; l= 3;e= 0.0000E+00 Projector method: Vanderbilt (polynomial pseudization) Sinc^2 compensation charge shape zeroed at rc Number of basis functions 6 No. n l Energy Cp coeff Occ 1 3 0 -9.1892766E+00 5.9728989E+00 2.0000000E+00 2 4 0 -4.2816505E-01 -1.3529193E+01 2.0000000E+00 3 3 1 -6.0541930E+00 6.5327834E+00 6.0000000E+00 4 4 1 -8.5216867E-02 -6.0306025E+01 0.0000000E+00 5 3 2 -7.7663072E-01 6.3634815E+00 1.0000000E+01 6 999 2 2.0000000E+00 -1.0066066E+01 0.0000000E+00 evale from matrix elements -5.47015321283292700E+02