&control calculation = 'scf' restart_mode='from_scratch' prefix='graphite', pseudo_dir='', outdir='' / &system ibrav=0, celldm(1)=1.0, nat=2, ntyp=1, ecutwfc=40.0, degauss=0.03, nbnd=8 / &electrons mixing_beta = 0.5 conv_thr = 1.0d-8 / ATOMIC_SPECIES C 12.0 C.pw91-van_ak.UPF CELL_PARAMETERS {hexagonal} 4.0279528 2.325539 0.0000 4.0279528 -2.325539 0.0000 0.0000000 0.000000 20.000 ATOMIC_POSITIONS {crystal} C 0.0000000 0.0000000 0.0000000 C 0.3333333 0.3333333 0.0000000 K_POINTS {automatic} 24 24 24 0 0 0