&control calculation='scf', / &system ibrav = 0 nat=2, ntyp=1, nbnd = 4, ecutwfc = 25.0 / &electrons conv_thr = 1.d-8 / 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 angstrom 5.291772 0.00000 0.00000 2.381297 7.572044 0.00000 2.116709 0.443784 10.360210 K_POINTS {gamma}