&control verbosity='high' calculation='scf' restart_mode='from_scratch' prefix='SI' pseudo_dir = './', outdir='./' wf_collect=.true. / &system ibrav=2 celldm(1)=28.34590316661532908648 nat=2, 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 0.00 0.00 0.00 Si 0.25 0.25 0.25 K_POINTS automatic 8 8 8 1 1 1