&CONTROL pseudo_dir = '.' disk_io = 'none' / &SYSTEM ibrav = 2 A = 5.431 nat = 2 ntyp = 1 ecutwfc = 20.0 / &ELECTRONS conv_thr = 1.0E-6 / ATOMIC_SPECIES Si 28.085 Si.pz-vbc.UPF ATOMIC_POSITIONS crystal Si 0.00 0.00 0.00 Si 0.25 0.25 0.25 K_POINTS automatic 4 4 4 1 1 1