&CONTROL pseudo_dir = '../../pseudo' / &SYSTEM ibrav = 1 A = 10.0 nat = 3 ntyp = 2 ecutwfc = 18.0 / &ELECTRONS / ATOMIC_SPECIES C 12.011 C.pz-vbc.UPF O 15.9999 O.pz-rrkjus.UPF ATOMIC_POSITIONS angstrom C 0.0000 0.0000 0.0000 O 0.0000 0.0000 1.1615 O 0.0000 0.0000 -1.1615 K_POINTS gamma