1 &control 2 calculation='nscf' 3 pseudo_dir = '/home/giannozz/New-sesame/pseudo/', 4 outdir='/home/giannozz/tmp/', 5 prefix='cu' 6 / 7 &system 8 ibrav = 2, celldm(1) =6.73, nat= 1, ntyp= 1, 9 ecutwfc = 25.0, ecutrho = 300.0, nbnd = 8 10 / 11 &electrons 12 / 13ATOMIC_SPECIES 14 Cu 63.55 CuUS.RRKJ3.UPF 15ATOMIC_POSITIONS 16 Cu 0.0 0.0 0.0 17K_POINTS 18 28 19 0.0 0.0 0.0 1.0 20 0.0 0.0 0.1 1.0 21 0.0 0.0 0.2 1.0 22 0.0 0.0 0.3 1.0 23 0.0 0.0 0.4 1.0 24 0.0 0.0 0.5 1.0 25 0.0 0.0 0.6 1.0 26 0.0 0.0 0.7 1.0 27 0.0 0.0 0.8 1.0 28 0.0 0.0 0.9 1.0 29 0.0 0.0 1.0 1.0 30 0.0 0.0 0.0 1.0 31 0.0 0.1 0.1 1.0 32 0.0 0.2 0.2 1.0 33 0.0 0.3 0.3 1.0 34 0.0 0.4 0.4 1.0 35 0.0 0.5 0.5 1.0 36 0.0 0.6 0.6 1.0 37 0.0 0.7 0.7 1.0 38 0.0 0.8 0.8 1.0 39 0.0 0.9 0.9 1.0 40 0.0 1.0 1.0 1.0 41 0.0 0.0 0.0 1.0 42 0.1 0.1 0.1 1.0 43 0.2 0.2 0.2 1.0 44 0.3 0.3 0.3 1.0 45 0.4 0.4 0.4 1.0 46 0.5 0.5 0.5 1.0 47