[Atom] Cr 7 # norb: number of orbitals 100 2.00 - # nlm occ eigen(- means auto-generate) 200 2.00 - 210 6.00 - 300 2.00 - 310 6.00 - 320 3.00 - 400 0.00 - [Pseudo] 4 1.73 1.78 1.95 1.88 opt [Optinfo] 7.07 10 7.07 10 7.07 10 7.07 10 [Configs] 4 # 300 2.00 - 310 6.00 - 320 3.00 - 400 0.00 - # 300 2.00 - 310 6.00 - 320 3.05 - 400 1.00 - # 300 2.00 - 310 6.00 - 320 3.95 - 400 1.50 - # 300 2.00 - 310 6.00 - 320 4.00 - 400 2.00 - [XC] gga # lda[PZ] or gga[PBE] [KBdesign] 0 # local orb 1 # number of aug. operators au 0.1 1.38 2.85 # unit(gp or au) left right height(Ry)