&control calculation = 'scf' restart_mode = 'from_scratch' pseudo_dir = '../../pseudo/' outdir = './' prefix = 'sil' / &system ibrav = 1 celldm(1) = 12 nat = 5 ntyp = 2 ecutwfc = 40.0 / &electrons startingwfc = 'random' diagonalization = 'cg' conv_thr = 1.0e-10 mixing_beta = 0.2 / ATOMIC_SPECIES Si 55 Si.pz-vbc.UPF H 1 H.pz-vbc.UPF ATOMIC_POSITIONS angstrom Si 0.000000000 0.000000000 0.000000000 H 1.056551000 1.056551000 1.056551000 H 1.056551000 -1.056551000 -1.056551000 H -1.056551000 1.056551000 -1.056551000 H -1.056551000 -1.056551000 1.056551000 K_POINTS {gamma}