&CONTROL pseudo_dir = '.' disk_io = 'none' tprnfor = .true. tstress = .true. / &SYSTEM ibrav = 0 nat = 20 ntyp = 2 ecutwfc = 35.0 / &ELECTRONS / ATOMIC_SPECIES C 12.011 C.pz-vbc.UPF H 1.008 H.pz-vbc.UPF CELL_PARAMETERS bohr 25.000000 0.000000 0.000000 0.000000 25.000000 0.000000 0.000000 0.000000 16.140768 ATOMIC_POSITIONS bohr C 6.14077040 6.14076840 1.38084150 C 6.14077040 3.88960540 2.73442350 C 6.14077040 8.39193540 2.73442350 C 6.14077040 3.88960540 5.33596050 C 6.14077040 8.39193540 5.33596050 C 6.14077040 6.14076840 6.68954250 H 6.14077040 2.09017740 1.72242550 H 6.14077040 10.19135940 1.72242550 H 6.14077040 2.09017740 6.34795950 H 6.14077040 10.19135940 6.34795950 C 6.14076840 6.14076840 9.45122550 C 7.26634990 4.19120405 10.80480750 C 5.01518490 8.09033621 10.80480750 C 7.26634990 4.19120405 13.40634450 C 5.01518490 8.09033621 13.40634450 C 6.14076840 6.14076840 14.75992650 H 8.16606390 2.63285369 9.79280950 H 4.11547290 9.64868311 9.79280950 H 8.16606390 2.63285369 14.41834350 H 4.11547290 9.64868311 14.41834350 K_POINTS automatic 1 1 3 1 1 1