&control calculation = 'scf' prefix='graphene', tstress = .true. tprnfor = .true. pseudo_dir = './', outdir='./work/' disk_io='low' wf_collect=.true. tefield =.TRUE. dipfield =.TRUE. / &system ibrav = 4, celldm(1) = 4.602, celldm(3) = 8, nat = 4, ntyp = 1, ecutwfc = 25.0, ecutrho = 150.0, occupations = 'smearing' smearing = 'm-p' degauss = 0.01 edir =3, emaxpos =0.45, eopreg =0.10, eamp = 0.009723452336177272 / &electrons mixing_beta = 0.7 conv_thr = 1.0d-8 / ATOMIC_SPECIES C 12.0107 C.pz-van_ak.UPF ATOMIC_POSITIONS {alat} C 0.00 0.00 0.68781 C 0.00 0.57735026918962576451 0.68781 C 0.00 0.00 -0.68781 C 0.00 -0.57735026918962576451 -0.68781 K_POINTS {automatic} 12 12 1 0 0 0