&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 }
11.179929 0.000000 0.000000 
0.015048 14.253815 0.000000 
-0.060161 -0.071077 11.149875 

ATOMIC_POSITIONS { angstrom }
C 11.044027 0.057749 10.880261
C 10.967127 7.383219 10.555562
C 11.014027 1.238394 10.003161
C 10.923427 8.395539 9.521842
C 1.011857 13.894980 3.312982
C 0.941747 6.517719 3.192912
C 0.893213 1.367077 9.086262
C 0.809596 8.422239 8.665731
C 0.952597 13.342380 10.765562
C 0.834575 6.561159 10.588162
C 10.457527 2.853500 2.197882
C 10.422827 10.348590 2.235422
C 11.043227 10.998080 5.955472
C 0.104868 3.573360 6.270832
C 0.039009 12.023480 6.915372
C 0.070519 4.732539 7.011912
C 1.918867 0.697358 5.112592
C 1.911187 7.816539 4.825162
C 2.101717 13.085480 3.154582
C 1.970807 5.547599 3.289532
C 1.820917 0.324055 9.040031
C 1.791077 7.445600 8.733622
C 2.719747 2.308549 1.216022
C 2.843587 9.108399 1.482672
C 2.746357 3.400440 0.344658
C 2.701817 10.010380 0.390685
C 3.134167 14.218580 4.977342
C 2.921227 6.841869 5.042672
C 3.195357 13.168180 4.024832
C 2.916257 5.691499 4.305172
C 3.347627 10.843380 7.698542
C 3.666967 4.107009 7.780382
C 3.746127 2.137599 2.128822
C 3.971447 9.189590 2.355852
C 3.645707 11.000780 0.297309
C 3.831157 4.308410 0.476282
C 4.571767 2.951150 5.997442
C 4.802687 10.254050 6.067232
C 4.063477 12.014979 7.939742
C 4.791957 4.943140 7.948492
C 4.768397 3.111130 2.172592
C 4.813377 10.301210 2.237562
C 5.446027 1.420017 9.885772
C 5.441187 8.497439 9.753491
C 5.421957 0.415061 10.841362
C 5.413347 7.521929 10.709561
C 5.602707 11.423780 6.292692
C 5.710107 3.741910 6.064892
C 5.239047 12.299780 7.241332
C 5.840437 4.696189 7.081502
C 6.401377 13.810780 3.210032
C 6.310607 6.322579 3.508292
C 6.508647 1.405747 8.938762
C 6.551357 8.417390 8.918061
C 6.376097 13.652080 10.737761
C 6.359307 6.527760 10.839762
C 7.356417 0.628978 4.982062
C 7.428277 7.582299 5.108842
C 7.373987 12.853479 3.259472
C 7.453207 5.432279 3.431922
C 7.400357 0.334913 8.883021
C 7.502027 7.408439 9.069161
C 8.337617 2.134229 1.249952
C 8.472637 9.322130 1.357452
C 8.379637 3.252220 0.432130
C 8.331767 10.375990 0.421311
C 8.464077 14.045680 5.076162
C 8.481327 6.675599 5.247672
C 8.465617 12.918280 4.191022
C 8.420787 5.547760 4.402352
C 9.016437 11.462180 7.655642
C 9.216647 3.991400 7.997452
C 9.351707 1.973150 2.214442
C 9.460897 9.329050 2.307402
C 9.331827 11.329480 0.434396
C 9.429587 4.137630 0.502372
C 10.256127 2.638270 6.393671
C 9.902827 10.187310 5.896772
C 10.155027 12.271980 7.724452
C 10.231827 4.970860 7.907772
H 0.125295 13.838380 2.643062
H 0.143125 6.402730 2.499932
H 10.362027 -0.111812 0.489530
H 10.146527 7.394899 0.043800
H 10.194527 1.931799 10.028361
H 10.079127 9.050750 9.403212
H 1.076897 2.111170 8.357172
H 0.852068 9.163150 7.878452
H 0.949997 12.491080 0.166859
H 0.891927 5.838120 0.170166
H 0.128425 2.697280 2.863162
H 0.153305 10.417829 2.864312
H 0.531562 11.003280 5.050342
H 0.959547 3.389229 5.567182
H 0.960157 12.694280 6.969352
H 0.802104 5.488720 6.688522
H 1.784527 1.385009 5.967302
H 1.975507 8.743780 5.395722
H 2.025447 12.294280 2.380862
H 1.860047 4.667199 2.659032
H 1.854027 1.595269 1.181262
H 2.091297 8.334780 1.597722
H 1.949417 3.482180 10.748362
H 1.775677 9.958620 10.931962
H 2.711807 0.565073 8.465002
H 2.410477 7.416729 7.852352
H 2.412107 10.681780 8.313182
H 2.815027 4.282889 8.462942
H 4.002147 0.233668 5.556202
H 3.692887 7.084059 5.820012
H 4.104727 12.577880 3.922352
H 3.583667 4.857959 4.533932
H 3.705747 1.314361 2.838832
H 4.227747 8.497380 3.204002
H 3.567937 11.782080 10.659162
H 3.805477 5.191969 11.061062
H 4.433307 2.235060 5.188462
H 5.081547 9.491570 5.305531
H 3.641057 12.674379 8.737202
H 4.828717 5.754839 8.684902
H 4.809137 2.303040 9.911161
H 4.718917 9.287590 9.665552
H 4.721647 0.443347 0.473043
H 4.566127 7.598280 0.208392
H 5.580667 2.938090 2.860832
H 5.570707 10.495080 3.007232
H 5.576327 13.837880 2.481732
H 5.436297 6.159649 2.821562
H 6.458777 11.585880 5.694402
H 6.515587 3.592290 5.300952
H 5.743367 13.232280 7.423521
H 6.761587 5.357810 7.142952
H 6.567827 2.197050 8.177762
H 6.639037 9.145269 8.062332
H 6.362767 13.015580 0.379754
H 6.266547 5.787979 0.458686
H 7.185027 1.438484 5.682212
H 7.390667 8.451240 5.796482
H 7.296127 11.966180 2.600812
H 7.414037 4.719909 2.624872
H 7.514767 1.414394 1.168552
H 7.694237 8.567190 1.390572
H 7.454277 3.474240 10.958662
H 7.437197 10.286630 10.879762
H 8.255878 0.314885 8.224872
H 8.277827 7.458189 8.309241
H 8.178437 11.600980 8.388912
H 8.417027 4.134900 8.768652
H 9.333737 14.241780 5.783362
H 9.347367 6.797819 5.867332
H 9.194217 12.094480 4.238432
H 9.216167 4.817209 4.356002
H 9.425517 1.108674 2.852372
H 9.573507 8.531660 3.026942
H 9.092357 12.106979 10.876661
H 9.373167 4.953339 11.069562
H 10.361027 1.626189 5.886702
H 9.751277 9.326489 5.179972
H 10.277127 13.014080 8.517312
H 10.199328 5.803360 8.564132
N 0.904836 0.573951 4.251312
N 0.901271 7.613649 3.962402
N 10.363627 11.330080 1.305642
N 10.495827 3.966720 1.347512
N 1.854637 13.464380 9.816691
N 1.874717 6.468380 9.663261
N 3.531817 3.161119 6.851692
N 3.699077 9.975200 6.759702
N 4.659857 11.216579 1.239742
N 4.849477 4.100209 1.314732
N 6.346677 0.547246 4.107521
N 6.328777 7.431979 4.301472
N 7.335007 13.595280 9.816522
N 7.376007 6.421499 9.951662
N 9.231817 2.874250 7.241902
N 8.906377 10.436640 6.756812

K_POINTS { automatic }
1 1 1 0 0 0 

