Basis functions for H ===================== Basis functions for l=0, n=1 ---------------------------- Zeta 1: softly confined pseudo wave, fixed energy shift DE=0.301 eV :: rc=5.76 Bohr Zeta 2: split-valence wave, fixed tail norm Tail norm 0.172 :: rsplit=2.33 Bohr Polarization function: l=1, rc=5.76 ----------------------------------- Reference system : [H] H Cell = 12.00 x 12.00 x 12.00 :: gpts = [64 64 64] Quasi Gaussians: 19 Reference states: 2 Quality: 0.598 [0.000, 0.598, 0.000]