1 &control 2 calculation='scf', 3 restart_mode='from_scratch', 4 prefix='carbon', 5 pseudo_dir = '../../pseudo/', 6 / 7 &system 8 ibrav = 2, celldm(1) =6.74, nat= 2, ntyp= 1, 9 nr1=32, 10 nr2=32, 11 nr3=32, 12 ecutwfc = 27.0 13 ecutrho = 300.0 14 / 15 &electrons 16 mixing_beta = 0.7 17 conv_thr = 1.0d-9 18 / 19ATOMIC_SPECIES 20 C 12.0107 C.pz-rrkjus.UPF 21ATOMIC_POSITIONS (alat) 22 C 0.00 0.00 0.00 23 C 0.25 0.25 0.25 24K_POINTS AUTOMATIC 254 4 4 1 1 1 26