&control calculation = 'scf', prefix = 'Si' pseudo_dir = './pseudo', outdir = './tmp/' / &system ibrav = 2, celldm(1) = 10.2656, nat = 2, ntyp = 1, ecutwfc = 50.0 / &electrons conv_thr = 1.0d-12 / ATOMIC_SPECIES Si 28.0855 Si.pbesol-n-kjpaw_psl.1.0.0.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