&control calculation = 'scf' prefix='diamond', tstress = .true. tprnfor = .true. pseudo_dir = './', outdir='./work/' disk_io='low' wf_collect=.true. / &system ibrav = 2, celldm(1) = 6.66, nat = 2, ntyp = 1, ecutwfc = 30.0, ecutrho = 150.0, occupations = 'smearing' smearing = 'm-p' degauss = 0.01 / &electrons mixing_beta = 0.7 conv_thr = 1.0d-8 / ATOMIC_SPECIES C 12.0107 C.pz-van_ak.UPF ATOMIC_POSITIONS {crystal} C 0.00 0.00 0.00 C 0.25 0.25 0.25 K_POINTS {automatic} 8 8 8 0 0 0