[Atom] Ga # chemical symbol (max. 2 characters) 8 # norb: number of orbitals 100 2.00 -13.0 # reference configuration 200 2.00 -1.4 # reference configuration 210 6.00 -0.4 # reference configuration 300 2.00 -0.1 # reference configuration 310 6.00 -13.0 # reference configuration 400 2.00 -0.4 # reference configuration 410 0.00 -0.1 # reference configuration 320 10.00 -1.4 # reference configuration [Pseudo] 3 1.87 2.04 2.03 opt [Optinfo] 7.07 10 # rc[a.u.] Qc[sqrt(Ry)] Nb 7.07 10 # rc[a.u.] Qc[sqrt(Ry)] Nb 7.47 10 # rc[a.u.] Qc[sqrt(Ry)] Nb [Configs] 2 # number of valence configurations # 400 2.00 -1.4 # test configuration 410 0.00 -0.4 # test configuration 320 10.00 -0.4 # test configuration # 400 2.00 -1.4 # test configuration 410 1.00 -0.4 # test configuration 320 10.00 -0.4 # test configuration [KBdesign] 0 # local orbital [0..lmax] 1 # number of boxes au 0.1 1.6 0.79