&control
calculation='scf',
restart_mode='from_scratch',
pseudo_dir='./',
outdir='./OUT',
tprnfor = .TRUE.,
tstress = .TRUE.,
disk_io = 'none',
/
&system
ibrav= 0,
nat  = 176,
ntyp = 3,
vdw_corr = 'TS',
ecutwfc = 110.000000,
ts_vdw_econv_thr=1.000000e-08,
nosym = .TRUE.,
/
&electrons
conv_thr = 1.000000e-08,
/

ATOMIC_SPECIES
C 16 C_HSCV_PBE-1.0.UPF
H 2 H_HSCV_PBE-1.0.UPF
N 14 N_HSCV_PBE-1.0.UPF

CELL_PARAMETERS { angstrom }
11.077589 0.000000 0.000000 
0.220323 14.433046 0.000000 
-0.040946 0.106698 11.148299 

ATOMIC_POSITIONS { angstrom }
C 0.010108 0.391819 10.663674
C 10.935557 8.002186 10.537974
C 11.045458 1.367436 9.696624
C 11.030058 9.031566 9.638434
C 1.080837 13.897696 3.633694
C 0.741904 6.770336 3.535054
C 1.052318 1.538636 8.824314
C 1.048707 9.064916 8.751864
C 1.346537 13.958396 10.743074
C 0.822097 6.943496 10.533274
C 10.415957 2.954646 2.019554
C 10.401957 10.499476 2.258974
C 11.212857 11.119296 5.965764
C 0.142950 3.719546 5.806604
C 11.218658 12.303996 6.749164
C 0.308258 4.769526 6.730904
C 1.869128 0.653112 5.363644
C 1.956868 7.806816 5.219714
C 2.239577 13.108095 3.425774
C 1.682767 5.738856 3.412824
C 2.117027 0.683101 8.966614
C 1.930558 7.979506 8.782214
C 2.682307 2.475416 1.124844
C 2.763477 9.308836 1.253484
C 2.712577 3.661476 0.418201
C 2.782767 10.525166 0.421585
C 3.254697 14.353596 5.270894
C 3.031487 6.839665 5.154124
C 3.358527 13.408396 4.261854
C 2.863097 5.821036 4.203774
C 3.616637 11.483795 7.862744
C 3.506057 4.341816 7.653754
C 3.717777 2.238746 2.059004
C 3.834797 9.170595 2.186254
C 3.799908 11.458196 0.633803
C 3.769017 4.504996 0.666051
C 4.591497 3.162836 6.038224
C 4.422108 10.548096 5.954824
C 4.795558 12.290496 7.991214
C 4.632458 5.171845 7.843404
C 4.729108 3.168876 2.254944
C 4.853268 10.118206 2.239074
C 5.316318 1.296636 10.033674
C 5.732158 8.695785 9.515534
C 5.465248 0.110940 10.764874
C 5.490158 7.780906 10.562674
C 5.656918 11.258896 6.051844
C 5.728198 3.949416 6.114214
C 5.808658 12.213296 7.058754
C 5.713108 4.989286 7.018854
C 6.386428 13.979896 3.423354
C 6.466478 6.753716 3.394854
C 6.266878 1.661296 9.089144
C 6.917687 8.589266 8.790654
C 6.796798 13.803796 10.617974
C 6.404158 6.758456 10.778374
C 7.202378 0.588490 5.201924
C 7.595278 7.694325 5.132504
C 7.418658 13.029396 3.292184
C 7.363068 5.682266 3.363614
C 7.339498 0.762006 8.951094
C 7.760618 7.439136 9.116004
C 8.373168 2.113796 1.058574
C 8.367738 9.584255 1.441824
C 8.279708 3.344386 0.393877
C 8.451878 10.517555 0.398631
C 8.456328 14.059496 5.210784
C 8.635037 6.800526 5.077404
C 8.435867 13.004895 4.290294
C 8.566698 5.737816 4.128624
C 9.169078 11.395896 7.751474
C 9.293888 3.971726 7.800024
C 9.487058 1.926816 1.915914
C 9.436438 9.488405 2.351564
C 9.433138 11.512695 0.413993
C 9.362978 4.294446 0.538763
C 10.117858 2.861656 5.886014
C 10.156958 10.224585 5.968254
C 10.198957 12.439796 7.680234
C 10.414158 4.851086 7.765564
H 11.258858 13.762396 3.007224
H 10.951757 6.760466 2.920784
H 10.299257 0.138759 0.185107
H 10.164158 7.794906 0.061024
H 10.211258 2.082686 9.707504
H 10.296958 9.839786 9.678544
H 1.152327 2.256226 8.009154
H 1.190978 9.771646 7.996574
H 1.343208 13.086996 0.362837
H 0.752023 6.084816 0.111836
H 0.157320 2.872896 2.712264
H 11.309157 10.591596 2.838724
H 0.963008 10.876596 5.253534
H 0.820130 3.644166 4.994024
H 0.950138 13.015096 6.644524
H 1.146178 5.446326 6.566624
H 1.916917 1.563526 6.021744
H 1.911258 8.565506 6.046834
H 2.210717 12.314996 2.706494
H 1.577077 4.940795 2.668704
H 1.868168 1.760296 1.154604
H 1.998168 8.619176 1.046504
H 1.935478 4.039066 10.799374
H 1.953838 10.817996 10.876374
H 2.905547 0.756715 8.168424
H 2.744477 8.036576 8.036354
H 2.711117 11.507896 8.532744
H 2.611837 4.554476 8.267604
H 3.811678 0.015217 5.984854
H 3.951157 6.841496 5.760344
H 4.226528 12.697295 4.241104
H 3.725767 5.187216 4.110994
H 3.722348 1.420147 2.771094
H 3.867127 8.275636 2.811674
H 3.723337 12.365696 0.080440
H 3.745777 5.473636 0.054845
H 4.599628 2.353146 5.331364
H 4.187158 9.837656 5.206904
H 4.861458 12.964096 8.815904
H 4.574987 6.077406 8.430814
H 4.362597 1.808806 10.134174
H 4.934388 9.460766 9.228154
H 5.010488 14.085496 0.328638
H 4.678748 7.756386 0.085947
H 5.520268 3.039736 3.000784
H 5.635228 9.881186 2.976334
H 5.600838 14.041896 2.694724
H 5.642998 6.749435 2.633234
H 6.364408 11.042795 5.255174
H 6.605398 3.867666 5.494174
H 6.720328 12.771095 7.082304
H 6.582288 5.717226 7.083064
H 6.224108 2.471646 8.379714
H 7.150868 9.290906 8.033554
H 6.925668 12.818795 0.082327
H 6.288278 5.907756 0.396981
H 7.305998 1.342551 6.000544
H 7.729338 8.477976 5.901974
H 7.292208 12.301295 2.504664
H 7.223537 4.863376 2.664344
H 7.617708 1.374316 0.948894
H 7.540528 8.877545 1.432244
H 7.354648 3.707486 11.022474
H 7.623087 10.708496 10.818674
H 8.114008 0.919103 8.102564
H 8.749147 7.352616 8.609714
H 8.431217 11.516895 8.596524
H 8.547558 4.068826 8.590844
H 9.265697 14.212696 5.931124
H 9.471078 6.925166 5.758724
H 9.212968 12.284495 4.363684
H 9.363698 4.944826 4.076854
H 9.507168 0.986135 2.396764
H 9.483148 8.761685 3.147964
H 9.380298 12.500095 10.904074
H 9.251978 5.266896 11.023874
H 10.169958 1.909116 5.278624
H 10.194358 9.286876 5.354944
H 10.031757 13.366695 8.266334
H 10.660558 5.463176 8.643184
N 0.772719 0.446965 4.546984
N 0.894568 7.764486 4.422234
N 10.451558 11.488195 1.295874
N 10.295958 4.164326 1.427154
N 2.401067 14.121996 9.878854
N 1.874427 6.975716 9.687374
N 3.547237 3.293156 6.856244
N 3.426318 10.565596 6.880244
N 4.875948 11.234196 1.516384
N 4.824098 4.262466 1.531244
N 6.122528 0.524544 4.388374
N 6.582408 7.737636 4.291384
N 7.717628 14.050996 9.687604
N 7.577278 6.594516 10.103274
N 9.134638 2.995026 6.839224
N 9.083708 10.288655 6.945174

K_POINTS { automatic }
1 1 1 0 0 0 

