&control calculation='scf', pseudo_dir = '/Users/calandra/Pw/SVN_9_7_2015/espresso/XSpectra/examples/pseudo/', outdir='/Users/calandra/Pw/SVN_9_7_2015/espresso/XSpectra/examples/results/tmp/', prefix='diamond', / &system ibrav = 1, celldm(1) = 6.740256, nat=8, ntyp=2, nbnd=16, ecutwfc=40.0, / &electrons mixing_beta = 0.3, / ATOMIC_SPECIES C_h 12.0 C_PBE_TM_2pj.UPF C 12.0 C_PBE_TM_2pj.UPF ATOMIC_POSITIONS crystal C_h 0.0 0.0 0.0 C 0.0 0.5 0.5 C 0.5 0.0 0.5 C 0.5 0.5 0.0 C 0.75 0.75 0.25 C 0.75 0.25 0.75 C 0.25 0.75 0.75 C 0.25 0.25 0.25 K_POINTS automatic 4 4 4 0 0 0