&control calculation='scf', / &system ibrav = 0 nat=2, ntyp=1, ecutwfc = 25.0 / &electrons / ATOMIC_SPECIES H 1.0008 H.pz-vbc.UPF ATOMIC_POSITIONS {angstrom} H 0.00 0.00 -0.35 H 0.00 0.00 0.35 CELL_PARAMETERS bohr 10.00000 0.00000 0.00000 4.50000 14.30909 0.00000 4.00000 0.83863 19.57796 K_POINTS {gamma}