&CONTROL calculation = "scf", pseudo_dir = "/home/giannozz/espresso/pseudo", outdir = "/home/giannozz/tmp", / &SYSTEM ibrav = 1, celldm(1) = 7.67000000D0, nat = 4, ntyp = 1, ecutwfc = 25.D0, occupations = "smearing", smearing = "m-v", degauss = 0.05D0, / &ELECTRONS conv_thr = 1.D-10, mixing_beta = 0.7D0, / ATOMIC_SPECIES Al 1.0 Al.pbe-rrkj.UPF ATOMIC_POSITIONS Al 0.0000000 0.0000000 0.000000 Al 0.5000000 0.5000000 0.000000 Al 0.0000000 0.5000000 0.500000 Al 0.5000000 0.0000000 0.500000 K_POINTS {automatic} 3 3 3 1 1 1