Silicon &control calculation = 'scf' restart_mode = 'from_scratch' prefix = 'si' tprnfor = .true. pseudo_dir = '../../pseudo/' outdir = './' iprint = 2 / &system ibrav = 2 celldm(1) = 10.2 nat = 2 ntyp = 1 ecutwfc = 25.0 / &electrons conv_thr = 1.0d-12 diagonalization = 'cg' / ATOMIC_SPECIES Si 28 Si.pbe-n-van.UPF ATOMIC_POSITIONS {crystal} Si -0.25 0.75 -0.25 Si 0.00 0.00 0.00 K_POINTS {automatic} 10 10 10 0 0 0