&control calculation='scf' restart_mode='from_scratch', pseudo_dir = '/pseudo/', outdir='/tmp/' prefix='lead' / &system ibrav = 6, celldm(1) =12.0, celldm(3) =0.375, nat= 1, ntyp= 1, nspin = 1, 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 ATOMIC_POSITIONS Al 0.0 0.0 0.000 K_POINTS (automatic) 2 2 24 1 1 1