&CONTROL calculation = 'scf' prefix = 'diamond' pseudo_dir = '../../../../pseudos' outdir = './' / &SYSTEM ibrav = 0 A = 2.522249888492415 ecutwfc = 60.0 nat = 16 ntyp = 1 / &ELECTRONS conv_thr = 1e-10 / CELL_PARAMETERS alat 0.00000000 1.41421356 1.41421356 1.41421356 0.00000000 1.41421356 1.41421356 1.41421356 0.00000000 ATOMIC_SPECIES C 12.011 C.upf ATOMIC_POSITIONS crystal C 0.003712998065 -0.002060170734 0.007465744829 C 0.127697131050 0.134414872445 0.121548153271 C 1.010248842659 0.989413411751 0.504897838862 C 0.128691454414 0.115580609022 0.622385958664 C -0.008155807239 0.504403213184 0.002666959642 C 0.120850946531 0.608763188653 0.125344963316 C 0.013162815973 0.493446100416 0.493232597452 C 0.118943881156 0.630654845874 0.622923434713 C 0.501466089788 0.011178134785 -0.011208433684 C 0.620494362383 0.129731759056 0.127647234137 C 0.489498338693 0.008422793498 0.493329795299 C 0.622473776052 0.125162049912 0.619102170038 C 0.492733294132 0.502462845567 0.012656469209 C 0.632365039269 0.625411526609 0.129404140181 C 0.499964912389 0.505907445169 0.494594071819 C 0.629780822693 0.625561244605 0.627748136265 K_POINTS automatic 2 2 2 0 0 0