&control calculation = 'scf' restart_mode='from_scratch', prefix='di', pseudo_dir = '../../pseudo/', outdir='./' / &system ibrav= 2, celldm(1) =6.1, nat= 2, ntyp= 1, ecutwfc =40.0, / &electrons diagonalization='david' mixing_mode = 'plain' mixing_beta = 0.7 conv_thr = 1.0d-13 / ATOMIC_SPECIES C 12.0 C.pz-vbc.UPF ATOMIC_POSITIONS {crystal} C -0.125 -0.125 -0.125 C 0.125 0.125 0.125 K_POINTS {automatic} 12 12 12 0 0 0