&control calculation='scf', restart_mode='from_scratch', prefix='SiC', verbosity='high', pseudo_dir = '../../../../pp/', outdir='./', tprnfor = .true., tstress = .true., / &system ibrav = 2, celldm(1) = 8.2 nat= 2, ntyp = 2, nelec = 7.96 ecutwfc = 30.0 occupations = 'smearing' degauss = 0.03 / &electrons mixing_beta = 0.7 conv_thr = 1.0d-9 / ATOMIC_SPECIES Si 28.0855 Si.pz-vbc.UPF C 1.0d12 C.UPF ATOMIC_POSITIONS alat Si 0.000000000 0.000000000 0.000000000 C 0.250000000 0.250000000 0.250000000 K_POINTS AUTOMATIC 6 6 6 1 1 1