&control calculation = 'scf' prefix = 'sic' restart_mode = 'from_scratch' wf_collect = .true. pseudo_dir = './' outdir = './' tprnfor = .true. tstress = .true. / &system ibrav = 2 celldm(1) = 8.237 nat = 2 ntyp = 2 ecutwfc = 60 occupations = 'smearing' smearing = 'mp' degauss = 0.02 nbnd = 4 / &electrons diagonalization = 'david' mixing_beta = 0.7 conv_thr = 1.0d-10 / ATOMIC_SPECIES Si 28.0855 Si.pz-vbc.UPF C 12.01078 C.UPF ATOMIC_POSITIONS alat Si 0.00 0.00 0.00 C 0.25 0.25 0.25 K_POINTS automatic 6 6 6 0 0 0