&control prefix = 'GaAs', calculation = 'scf', pseudo_dir = './pseudo/', outdir = './tmp/', / &SYSTEM ibrav = 0 nat = 2 ntyp = 2 ecutwfc = 40.0 ecutrho = 240.0 / &electrons conv_thr = 1.0d-10 / CELL_PARAMETERS {angstrom} 2.8314 2.8314 0.0000 2.8314 0.0000 2.8314 0.0000 2.8314 2.8314 ATOMIC_SPECIES As 74.92100 As.pbesol-n-rrkjus_psl.1.0.0.UPF Ga 69.72300 Ga.pbesol-dnl-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS {crystal} As 0.2500000000 0.2500000000 0.2500000000 Ga 0.0000000000 0.0000000000 0.0000000000 K_POINTS automatic 8 8 8 1 1 1