&CONTROL calculation = 'scf' prefix = 'diamond' pseudo_dir = '../pseudos' outdir = './' / &SYSTEM ibrav = 0 ecutwfc = 60.0 nat = 2 ntyp = 1 / &ELECTRONS conv_thr = 1.0d-10 / CELL_PARAMETERS angstrom 0.0000 1.7835 1.7835 1.7835 0.0000 1.7835 1.7835 1.7835 0.0000 ATOMIC_SPECIES C 12.011 C.upf ATOMIC_POSITIONS crystal C 0.000000000000 0.000000000000 0.000000000000 C 0.250000000000 0.250000000000 0.250000000000 K_POINTS automatic 6 6 6 0 0 0