[General] BASENAME = test_base EFERMI = 0.1 DOSMESH = -8.0 4.0 101 [Group 1] SHELLS = 1 2 EWINDOW = -7.6 3.0 [Group 2] SHELLS = 3 EWINDOW = -1.6 2.0 [Shell 1] LSHELL = 2 IONS = 5..8 [Shell 2] LSHELL = 1 IONS = 1..4 TRANSFORM = 0.0 1.0 0.0 1.0 0.0 0.0 0.0 0.0 1.0 [Shell 3] LSHELL = 3 IONS = 1..4