&control calculation = 'scf' restart_mode='from_scratch', prefix='diamond', tstress = .true. tprnfor = .true. pseudo_dir = './', outdir='./work/' / &system ibrav= 2, celldm(1) = 6.6559, nat= 2, ntyp= 1, ecutwfc = 30.0, ecutrho = 150.0, / &electrons mixing_mode = 'plain' mixing_beta = 0.7 conv_thr = 1.0d-8 / ATOMIC_SPECIES C 12.0107 C.pz-van_ak.UPF ATOMIC_POSITIONS C 0.00 0.00 0.00 C 0.25 0.25 0.25 K_POINTS {automatic} 8 8 8 1 1 1