Atom = H Z = 1 Perdew - Burke - Ernzerhof GGA Linear grid -- n,rmax = 20001 5.0000000E+01 Non-relativistic calculation all-electron results core states (zcore) = 0.000000000000000 valence states (zvale) = 1.00000000000000 1 1 0 1.0000000E+00 -4.7719976E-01 evale = -0.917857123188618 selfenergy contribution = 0.579623136757369 paw parameters: lmax = 0 rc = 0.900000000000000 irc = 361 Vloc: Norm-conserving Troullier-Martins form; l= 1;e= 0.0000E+00 Projector method: Vanderbilt (polynomial pseudization) Sinc^2 compensation charge shape zeroed at rc Number of basis functions 1 No. n l Energy Cp coeff Occ 1 1 0 -4.7719976E-01 -1.2618209E+01 1.0000000E+00 evale from matrix elements -9.17857123125274100E-01