&control calculation='scf' restart_mode='from_scratch', prefix='al', pseudo_dir = '.', outdir='./work' disk_io='low' / &system ibrav= 2, celldm(1) = 7.6524, nat= 1, ntyp= 1, ecutwfc =30.0, ecutrho = 200, occupations='smearing', smearing='methfessel-paxton', degauss=0.01, / &electrons conv_thr = 1.0d-10 mixing_beta = 0.7 / ATOMIC_SPECIES Al 26.98 Al.pbe-n-van.UPF ATOMIC_POSITIONS Al 0.00 0.00 0.00 K_POINTS {automatic} 8 8 8 0 0 0