&control prefix = 'Al' calculation = 'scf' outdir = './tmp/' pseudo_dir = './' / &system ibrav = 2 celldm(1) = 7.50 nat = 1 ntyp = 1 ecutwfc = 12.0 occupations = 'tetrahedra_opt' / &electrons / ATOMIC_SPECIES Al 26.98 Al.pz-vbc.UPF ATOMIC_POSITIONS crystal Al 0.0 0.0 0.0 K_POINTS automatic 6 6 6 1 1 1