[Atom] La 13 100 2.00 -643.0 # nlm occ eigen(- means auto-generate) 200 2.00 -77.4 210 6.00 -68.4 300 2.00 -10.0 310 6.00 -6.0 320 10.0 -6.4 400 2.00 -6.4 410 6.00 -6.0 420 10.0 -6.0 500 2.00 -2.4 510 6.00 -2.0 520 0.00 -1.0 600 0.00 -1.0 [Pseudo] 4 1.87 1.87 1.88 1.87 opt [Optinfo] 7.47 10 7.07 10 7.07 10 7.47 10 [Relativity] srl # nrl / srl / frl [Configs] 3 # number of valence configurations # 500 2.00 -2.4 # nlm occ eigen(- means auto-generate) 510 6.00 -2.0 520 0.00 -1.0 600 0.00 -1.0 # 500 2.00 -2.4 # nlm occ eigen(- means auto-generate) 510 6.00 -2.0 520 0.50 -1.0 600 1.00 -1.0 # 500 2.00 -2.4 # nlm occ eigen(- means auto-generate) 510 6.00 -2.0 520 1.00 -1.0 600 2.00 -1.0 [KBdesign] 0 # local orbital 1 # number of aug. operators au 0.01 1.585 1.87 # unit(gp or au) left right height(Ry)