&CONTROL title = 'si-110' , calculation = 'scf' , outdir = '$TMP_DIR/' , pseudo_dir = '$PSEUDO_DIR/' , prefix = 'si-110' , disk_io = 'high' , verbosity = 'high' , / &SYSTEM ibrav = 0, nat = 4, ntyp = 1, ecutwfc = 25 , ecutrho = 225 , nosym = .true. , nbnd = 20, occupations = 'smearing' , degauss = 0.01 , smearing = 'gaussian' , / &ELECTRONS conv_thr = 1.D-18 , / CELL_PARAMETERS bohr 7.343274350 0.000000000 0.000000000 0.000000000 7.343274346 0.000000000 0.000000000 -0.000000000 10.240261020 ATOMIC_SPECIES Si 28.08600 Si.pw91-n-van.UPF ATOMIC_POSITIONS crystal Si -0.000000015 -0.000000015 -0.000000026 Si 0.499999985 0.499999985 0.499999974 Si -0.000000015 0.499999985 0.749999974 Si 0.499999985 -0.000000015 0.249999973 K_POINTS automatic 4 4 4 0 0 0