&CONTROL pseudo_dir = '.' calculation = 'bands' / &SYSTEM ibrav = 2 A = 3.567 nat = 2 ntyp = 1 ecutwfc = 30.0 ! Add 4 conduction bands also nbnd = 8 / &ELECTRONS / ATOMIC_SPECIES C 12.011 C.pz-vbc.UPF ATOMIC_POSITIONS crystal C 0.00 0.00 0.00 C 0.25 0.25 0.25 # Path here goes: Γ X U|K Γ L W X K_POINTS crystal_b 8 0.000 0.000 0.000 30 !Γ 0.500 0.000 0.500 30 !X 0.625 0.250 0.625 00 !U 0.375 0.375 0.750 30 !K 0.000 0.000 0.000 30 !Γ 0.500 0.500 0.500 30 !L 0.250 0.500 0.750 30 !W 0.500 0.500 1.000 00 !X