[General] DOSMESH = -1.5 2.5 3001 [Group 1] SHELLS = 1 NORMALIZE = True # fermi = 4.9951850 EWINDOW = -0.4 2.5 # band window 88 96 BANDS = 88 96 [Shell 1] LSHELL = 2 IONS = [5 8] [6 7] TRANSFILE = rotations.dat