1 &control 2 calculation='nscf' 3 / 4 &system 5 ibrav=2, celldm(1) =7.50, 6 nat=1, ntyp=1, 7 ecutwfc =15.0, 8 occupations='smearing', smearing='marzari-vanderbilt', degauss=0.05 9 nbnd=4 10 / 11 &electrons 12 / 13ATOMIC_SPECIES 14 Al 26.98 Al.pz-vbc.UPF 15ATOMIC_POSITIONS {alat} 16 Al 0.00 0.00 0.00 17K_POINTS {automatic} 18 6 6 6 1 1 1 19