&CONTROL pseudo_dir = '.' / &SYSTEM ibrav = 1 A = 15.0 nat = 6 ntyp = 2 ecutwfc = 18.0 / &ELECTRONS / ATOMIC_SPECIES C 12.011 C.pz-vbc.UPF H 1.008 H.pz-vbc.UPF ATOMIC_POSITIONS bohr H 2.155944E+00 1.283130E-01 1.971720E+00 C 1.247208E+00 -8.385965E-03 1.214940E-01 H 2.492677E+00 -1.600122E-01 -1.519872E+00 C -1.247223E+00 8.561142E-03 -1.214377E-01 H -2.492840E+00 1.599331E-01 1.519839E+00 H -2.155766E+00 -1.283991E-01 -1.971753E+00 K_POINTS gamma