&control calculation='scf', / &system ibrav = 1, celldm(1) =10.0, nat=2, ntyp=1, ecutwfc = 25.0 / &electrons / ATOMIC_SPECIES H 1.0008 H.vbc.UPF ATOMIC_POSITIONS {angstrom} H 0.00 0.00 -0.35 H 0.00 0.00 0.35 K_POINTS {automatic} 2 2 2 1 1 1