&control calculation = 'bands', restart_mode = 'from_scratch', prefix = 'silicon', outdir = './tmp/' pseudo_dir = '/opt/qe-7.3.1/pseudo' verbosity = 'high' / &system ibrav = 2, celldm(1) = 10.2076, nat = 2, ntyp = 1, ecutwfc = 50, ecutrho = 400, nbnd = 8 / &electrons conv_thr = 1e-8, mixing_beta = 0.6 / 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 {crystal_b} 5 0.0000 0.5000 0.0000 20 !L 0.0000 0.0000 0.0000 30 !G -0.500 0.0000 -0.500 10 !X -0.375 0.2500 -0.375 30 !U 0.0000 0.0000 0.0000 20 !G