&control prefix='mono graphene', calculation='bands', restart_mode='from_scratch', pseudo_dir = '/espresso-4.1.2/pseudo/', outdir='/tmp/results_MOUJAES/' / &system ibrav= 4, celldm(1) =4.608737, celldm(3)=2.7276, nat=2, ntyp= 1, ecutwfc = 60.D0, nosym=.true.,occupations='smearing', smearing='XYZ', degauss=0.001, nbnd=10 / &electrons conv_thr=1.D-8, mixing_beta=0.1D0, mixing_mode='local-TF' / ATOMIC_SPECIES C 12.00000 C.pz-rrkjus.UPF ATOMIC_POSITIONS crystal C 0.000000 0.000000 0.000000 1 1 1 C 0.333333 0.666666 0.000000 1 1 1 K_POINTS crystal_b 3 0.00000 0.00000 0.00000 140 0.33333 0.33333 0.00000 140 0.00000 0.50000 0.00000 140