1 &control 2 calculation='nscf' 3 pseudo_dir = '/home/giannozz/New-sesame/pseudo/', 4 outdir='/home/giannozz/tmp/' 5 prefix='ni' 6 / 7 &system 8 ibrav=2, celldm(1) =6.48, nat=1, ntyp=1, 9 nspin = 2, starting_magnetization(1)=0.7, 10 ecutwfc = 24.0, ecutrho = 288.0, nbnd = 8 11 / 12 &electrons 13 / 14ATOMIC_SPECIES 15 Ni 58.69 NiUS.RRKJ3.UPF 16ATOMIC_POSITIONS 17 Ni 0.0 0.0 0.0 18K_POINTS 19 28 20 0.0 0.0 0.0 1.0 21 0.0 0.0 0.1 1.0 22 0.0 0.0 0.2 1.0 23 0.0 0.0 0.3 1.0 24 0.0 0.0 0.4 1.0 25 0.0 0.0 0.5 1.0 26 0.0 0.0 0.6 1.0 27 0.0 0.0 0.7 1.0 28 0.0 0.0 0.8 1.0 29 0.0 0.0 0.9 1.0 30 0.0 0.0 1.0 1.0 31 0.0 0.0 0.0 1.0 32 0.0 0.1 0.1 1.0 33 0.0 0.2 0.2 1.0 34 0.0 0.3 0.3 1.0 35 0.0 0.4 0.4 1.0 36 0.0 0.5 0.5 1.0 37 0.0 0.6 0.6 1.0 38 0.0 0.7 0.7 1.0 39 0.0 0.8 0.8 1.0 40 0.0 0.9 0.9 1.0 41 0.0 1.0 1.0 1.0 42 0.0 0.0 0.0 1.0 43 0.1 0.1 0.1 1.0 44 0.2 0.2 0.2 1.0 45 0.3 0.3 0.3 1.0 46 0.4 0.4 0.4 1.0 47 0.5 0.5 0.5 1.0 48