&control calculation='scf', restart_mode='from_scratch', pseudo_dir = '/pseudo/', outdir='/tmp/', prefix='scat' / &system ibrav = 6, celldm(1) =12.0, celldm(3) =1.875, nat= 6, ntyp= 2, ecutwfc = 25.0, ecutrho = 150.0 occupations='smearing', smearing='methfessel-paxton', degauss=0.01 / &electrons conv_thr = 1.0e-8 mixing_beta = 0.7 / ATOMIC_SPECIES Al 26.98 Al.vbc.UPF H 1.0 H.vbc.UPF ATOMIC_POSITIONS Al 0.00000000 0.00000000 0.0000 Al 0.00000000 0.00000000 0.375 Al 0.00 0.00000000 .750 H 0.19269012 0.00000000 .9375 Al 0.00 0.00000000 1.125 Al 0.00000000 0.00000000 1.5 K_POINTS (automatic) 2 2 2 1 1 1