&control verbosity='high' calculation='scf' restart_mode='from_scratch' prefix='SI' pseudo_dir = './', outdir='./' wf_collect=.true. / &system ibrav=1 celldm(1)=10.26121694631474912930 nat=8, ntyp=1, ecutwfc = 30, occupations='smearing', degauss=0.001 / &electrons conv_thr = 1.0e-8 mixing_beta = 0.5 / &ions / ATOMIC_SPECIES Si 28.086 Si.pbe-mt_fhi.UPF ATOMIC_POSITIONS crystal Si 0.000000 0.000000 0.000000 Si 0.000000 0.500000 0.500000 Si 0.500000 0.000000 0.500000 Si 0.500000 0.500000 0.000000 Si 0.750000 0.250000 0.750000 Si 0.250000 0.250000 0.250000 Si 0.250000 0.750000 0.750000 Si 0.750000 0.750000 0.250000 K_POINTS automatic 8 8 8 1 1 1