&CONTROL pseudo_dir = '.' calculation = 'relax' disk_io = 'none' etot_conv_thr = 1.0d-5 forc_conv_thr = 1.0d-4 / &SYSTEM ibrav = 1 A = 15.0 nat = 5 ntyp = 2 ecutwfc = 40.0 / &ELECTRONS conv_thr = 1.0E-9 / &IONS / 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 0 0 0 H 0.0 0.0 1.089 0 0 1 H 1.026719 0.000000 -0.363000 1 0 1 H -0.513360 -0.889165 -0.363000 H -0.513360 0.889165 -0.363000 K_POINTS gamma