[Atom] P # chemical symbol (max. 2 characters) 6 # 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 0.00 -13.0 # reference configuration 400 0.00 - [Pseudo] 3 1.63 1.63 1.62 opt [XC] gga [Optinfo] 7.07 10 # rc[a.u.] Qc[sqrt(Ry)] Nb 7.07 10 # rc[a.u.] Qc[sqrt(Ry)] Nb 7.07 10 # rc[a.u.] Qc[sqrt(Ry)] Nb [Configs] 6 # number of valence configurations # 300 2.00 -1.4 # test configuration 310 0.00 -0.4 # test configuration 400 0.01 - # 300 2.00 -1.4 # test configuration 310 1.00 -0.4 # test configuration 400 0.01 - # 300 2.00 -1.4 # test configuration 310 2.00 -0.4 # test configuration 400 0.01 - # 300 2.00 -1.4 # test configuration 310 2.50 -0.4 # test configuration 400 0.01 - # 300 2.00 -1.4 # test configuration 310 2.80 -0.4 # test configuration 400 0.01 - # 300 2.00 -1.4 # test configuration 310 3.00 -0.4 # test configuration 400 0.01 - [KBdesign] 0 # local orbital [0..lmax] 0 # number of boxes au 0.1 1.25 5.79