&CONTROL pseudo_dir = '.' calculation = 'scf' prefix = 'CH4' outdir = './out' / &SYSTEM ibrav = 1 A = 15.0 nat = 5 ntyp = 2 ecutwfc = 40 / &ELECTRONS conv_thr = 1.0d-10 / ATOMIC_SPECIES C 12.011 C.pz-vbc.UPF H 1.008 H.pz-vbc.UPF ATOMIC_POSITIONS angstrom C 7.500000000 7.500000000 7.500000000 H 8.142814093 8.142814093 8.142814093 H 6.857185907 6.857185907 8.142814093 H 8.142814093 6.857185907 6.857185907 H 6.857185907 8.142814093 6.857185907 K_POINTS gamma