&CONTROL pseudo_dir = '.' / &SYSTEM ibrav = 1 A = 10.0 nat = 5 ntyp = 2 ecutwfc = 25.0 ecutrho = 200.0 / &ELECTRONS / ATOMIC_SPECIES C 12.011 C.pz-vbc.UPF H 1.008 H.pz-vbc.UPF ATOMIC_POSITIONS angstrom C 0.0 0.0 0.0 H 0.634532333 0.634532333 0.634532333 H -0.634532333 -0.634532333 0.634532333 H 0.634532333 -0.634532333 -0.634532333 H -0.634532333 0.634532333 -0.634532333 K_POINTS automatic 1 1 1 0 0 0