&CONTROL pseudo_dir = '.' / &SYSTEM ibrav = 1 A = 15.0 nat = 5 ntyp = 2 ecutwfc = 18.0 / &ELECTRONS / ATOMIC_SPECIES C 12.011 C.pz-vbc.UPF H 1.008 H.pz-vbc.UPF ATOMIC_POSITIONS angstrom C 7.2433205 7.5 7.137 H 7.2433205 7.5 8.225999999999999 H 8.2700395 7.5 6.773999999999999 H 6.729960500000001 6.610835 6.773999999999999 H 6.729960500000001 8.389165 6.773999999999999 K_POINTS gamma