&CONTROL calculation = "scf", pseudo_dir = "/home/Izaak/QE/espresso-4.1.3/pseudo", outdir = "./tmp", / &SYSTEM ibrav = 6, celldm(1) = 4.91436426882776673343, celldm(3) = 6.3639610306789276D0, nat = 4, ntyp = 1, ecutwfc = 30.D0, ecutrho = 240.0, occupations = "smearing", smearing = "m-v", degauss = 0.05D0, nr3 = 144, / &ELECTRONS conv_thr = 1.D-10, mixing_beta = 0.7D0, / ATOMIC_SPECIES Cu 63.55 Cu.pbe-d-rrkjus.UPF ATOMIC_POSITIONS Cu 0.00000000 0.00000000 4.2426406871192848 Cu 0.50000000 0.50000000 3.5355339059327378 Cu 0.00000000 0.00000000 2.8284271247461898 Cu 0.50000000 0.50000000 2.1213203435596428 K_POINTS {automatic} 3 3 1 1 1 0