&CONTROL title = ' Silicon vbc', calculation = 'cp', restart_mode = 'restart', ndr = 50, ndw = 50, nstep = 50, iprint = 50, isave = 50, tstress = .TRUE., tprnfor = .TRUE., dt = 12.0d0, etot_conv_thr = 1.d-10, prefix = 'si' verbosity = 'medium' / &SYSTEM ibrav = 14, celldm(1) = 10.6, 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, ecutwfc = 16.0, ecfixed = 12.0, qcutz = 12.0, q2sigma = 4.0, nr1b= 12, nr2b = 12, nr3b = 12, / &ELECTRONS emass = 800.d0, emass_cutoff = 2.0d0, orthogonalization = 'ortho', electron_dynamics = 'damp', electron_damping = 0.1, electron_velocities = 'zero', / &IONS ion_dynamics = 'none', tranp(1) = .true. amprp(1) = 0.1 ion_radius(1) = 0.8d0, / ATOMIC_SPECIES Si 28.08 Si.pz-vbc.UPF ATOMIC_POSITIONS (crystal) Si 0.00000 0.00000 0.00000 Si 0.00000 0.50000 0.50000 Si 0.50000 0.00000 0.50000 Si 0.50000 0.50000 0.00000 Si 0.25000 0.25000 0.25000 Si 0.25000 0.75000 0.75000 Si 0.75000 0.25000 0.75000 Si 0.75000 0.75000 0.25000