&control title = 'Silicon 8 atoms', calculation = 'fpmd', restart_mode = 'from_scratch', ndr = 50, ndw = 50, dt = 10.0d0, nstep = 300, iprint = 10, isave = 100, tstress = .true., tprnfor = .true., prefix = 'si' pseudo_dir='/home/scandolo/Q-E/espresso-4.0.4/pseudo/', outdir='./', / &system ibrav = 14, celldm(1) = 10.20, celldm(2) = 1.0, celldm(3) = 1.0, celldm(4) = 0.0, celldm(5) = 0.0, celldm(6) = 0.0, nat = 8, ntyp = 1, nbnd = 16, nelec = 32, ecutwfc = 12.0, / &electrons electron_dynamics = 'sd', emass = 400.d0, emass_cutoff = 1.d0, / &ions ion_dynamics = 'none', / &cell cell_dynamics = 'none', press = 0.0d0, / ATOMIC_SPECIES Si 28.086d0 Si.vbc.UPF 1 ATOMIC_POSITIONS (crystal) Si 0.0000 0.0000 0.0000 1 1 1 Si 0.0000 0.5000 0.5000 1 1 1 Si 0.5000 0.5000 0.0000 1 1 1 Si 0.5000 0.0000 0.5000 1 1 1 Si 0.2500 0.2500 0.2500 1 1 1 Si 0.2500 0.7500 0.7500 1 1 1 Si 0.7500 0.7500 0.2500 1 1 1 Si 0.7500 0.2500 0.7500 1 1 1