&CONTROL calculation = "scf", pseudo_dir = "/home/giannozz/espresso/pseudo", outdir = "/home/giannozz/tmp", / &SYSTEM ibrav = 6, celldm(1) = 5.4235090117D0, celldm(3) = 6.3639610306789276D0, nat = 4, ntyp = 1, ecutwfc = 15.D0, occupations = "smearing", smearing = "m-v", degauss = 0.05D0, nr3 = 144, / &ELECTRONS conv_thr = 1.D-10, mixing_beta = 0.7D0, / ATOMIC_SPECIES Al 1.0 Al.pbe-rrkj.UPF ATOMIC_POSITIONS Al 0.00000000 0.00000000 4.2426406871192848 Al 0.50000000 0.50000000 3.5355339059327378 Al 0.00000000 0.00000000 2.8284271247461898 Al 0.50000000 0.50000000 2.1213203435596428 K_POINTS {automatic} 3 3 1 1 1 0