&control calculation='scf', prefix='Si' pseudo_dir = './pseudo/', outdir='./tmp/' / &system ibrav=2, celldm(1)=10.26, nat=2, ntyp=1, ecutwfc=18.0 / &electrons / ATOMIC_SPECIES Si 28.086 Si.pz-vbc.UPF ATOMIC_POSITIONS (alat) Si 0.00 0.00 0.00 Si 0.25 0.25 0.25 K_POINTS automatic 8 8 8 1 1 1