&CONTROL
  calculation  = "relax",
  prefix       = BN,
  pseudo_dir   = ".",
  outdir       = ".",
  verbosity = 'high'
/
&SYSTEM
  ibrav     = 0,
  celldm(1) = 4.74
  nat       = 139
  ntyp      = 6
  ecutwfc   = 70,
  nosym     = .TRUE.,
  occupations= 'smearing',
  smearing  = 'gaussian',
  degauss   = 0.001,
  nspin     = 2,
  starting_magnetization(3)= -0.3956,
  starting_magnetization(4)=  0.3066,
  starting_magnetization(5)= 0.097,
  tot_charge = -1
/
&ELECTRONS
  conv_thr    = 1.D-9,
  mixing_beta = 0.7D0,
/
&IONS
 ion_dynamics='bfgs',
/
&CELL
 cell_dynamics='bfgs'
 press=0.0,
/
CELL_PARAMETERS {alat}
10.000000000  0.0000000        0.0
0.0000       23.33 0.0
0.0000  0.0000000  10.0

ATOMIC_SPECIES
B  10.811   B.pbe-nc.UPF
N  14.0067  N.pbe-nc.UPF
N1  14.0067  N.pbe-nc.UPF
N2  14.0067  N.pbe-nc.UPF
N3  14.0067  N.pbe-nc.UPF
H  1.00  H.pbe-mt_fhi.UPF

ATOMIC_POSITIONS (angstrom)
H        1.241337923   2.620429423  -0.000000056
N        1.242511320   3.627447200   0.000000450
B       -0.004369940   4.325519466   0.000000695
B        1.250866192   6.498011945   0.000000253
N       -0.008255141   5.776374643   0.000001077
N        1.242412154   7.948352313   0.000000520
B       -0.002442031   8.674875137   0.000000565
B        1.257658958  10.848372182  -0.000000214
N       -0.003837217  10.127280733   0.000000474
N        1.253028376  12.304012147  -0.000000528
B        0.005122052  13.024570072  -0.000000235
B        1.261441339  15.201241316  -0.000000041
N        0.001352264  14.484883415  -0.000000140
H        1.257087702  16.396972975   0.000000366
H        3.747842804   2.610046570  -0.000001929
N        3.750752516   3.617422020  -0.000003290
B        2.503010651   4.318471649  -0.000001363
B        3.759007018   6.494368823  -0.000001967
N        2.496304724   5.768749790  -0.000001309
N        3.738646434   7.943205779  -0.000001648
B        2.502708987   8.672980271  -0.000000663
B        3.769828323  10.846441062  -0.000001607
N        2.501292987  10.126296628  -0.000000797
N        3.761088836  12.305087635  -0.000001487
B        2.515726021  13.021883445  -0.000000849
B        3.770229650  15.199563976  -0.000000084
N        2.509659483  14.483895225  -0.000000385
H        3.764066136  16.395651064   0.000000168
H        6.272437782   2.610359825  -0.000002176
N        6.268069263   3.617489494  -0.000002527
B        5.012743523   4.310845456  -0.000003091
B        6.279056434   6.489224898  -0.000000314
N        5.000653654   5.755871207  -0.000002628
N1       6.150608345   7.885097699   0.000005507
B        5.010153333   8.687415851   0.000000089
B        6.301988565  10.816200420  -0.000001886
N        5.005645688  10.133042823  -0.000001895
N        6.272703634  12.304747879  -0.000000747
B        5.027701834  13.016787498  -0.000000766
B        6.274741785  15.202908072   0.000000401
N        5.018972670  14.484187105  -0.000000043
H        6.269779789  16.399821772   0.000000327
H        8.788045667   2.616565263  -0.000000167
N        8.784016661   3.623574785  -0.000000817
B        7.526196008   4.320822548  -0.000001963
B        8.768090676   6.519617780  -0.000000993
N        7.525435363   5.760219078  -0.000002024
N2       8.860034741   7.918511851  -0.000001073
B        8.759810106  10.821969076  -0.000000326
N3       7.532306848  10.154532648  -0.000002780
N        8.783287588  12.309687542   0.000000958
B        7.527525914  13.017951963   0.000000400
B        8.777813172  15.205075616   0.000000917
N        7.526297670  14.488751581   0.000000823
H        8.779696659  16.402089134   0.000000502
H       11.295250322   2.622767391  -0.000000601
N       11.295745040   3.630029280   0.000000407
B       10.035080873   4.327455924  -0.000000045
B       11.286417847   6.503912367   0.000001097
N       10.042361518   5.771180509   0.000000104
N       11.306131912   7.950129809   0.000001283
B       10.025131140   8.684682702   0.000000318
B       11.283300878  10.849133790   0.000001503
N       10.049584803  10.137114792   0.000000719
N       11.293471785  12.309526047   0.000001776
B       10.028403919  13.021884600   0.000001480
B       11.284445828  15.204401186   0.000000853
N       10.035170851  14.489482783   0.000001304
H       11.290347624  16.400883667   0.000000370
H       13.802293890   2.624675828   0.000000038
N       13.803725548   3.631834111   0.000000747
B       12.544318150   4.326721156   0.000001033
B       13.796459444   6.501033589   0.000001497
N       12.550473987   5.775509199   0.000001759
N       13.805301274   7.950688886   0.000001644
B       12.542985134   8.675354355   0.000001627
B       13.793373430  10.849019255   0.000001059
N       12.550992300  10.128910941   0.000001684
N       13.799351361  12.304976682   0.000000867
B       12.538118558  13.024734947   0.000001232
B       13.792684624  15.202820655   0.000000215
N       12.544069758  14.487216243   0.000000837
H       13.798380238  16.398548893  -0.000000158
H       16.307969518   2.627600715  -0.000000126
N       16.309892132   3.634563787  -0.000000165
B       15.052320474   4.326871369   0.000000469
B       16.305124741   6.502755050   0.000000428
N       15.056499167   5.777926238   0.000000849
N       16.309453179   7.953046328   0.000000284
B       15.050451207   8.675252718   0.000000804
B       16.302737650  10.849745053   0.000000077
N       15.054600581  10.127514077   0.000000527
N       16.306254309  12.303815987  -0.000000087
B       15.047145670  13.023839879   0.000000233
B       16.301377841  15.201485705  -0.000000093
N       15.051316575  14.484254916   0.000000037
H       16.305382307  16.396971050  -0.000000099
H       18.813438047   2.629724059   0.000000016
N       18.814004537   3.636543327   0.000000204
B       17.559398725   4.329212459   0.000000089
B       18.812483985   6.504664148   0.000000240
N       17.562121466   5.780807445   0.000000221
N       18.814669000   7.954531011   0.000000364
B       17.559014703   8.676928700   0.000000200
B       18.812121661  10.851635159  -0.000000025
N       17.560927005  10.128606284  -0.000000003
N       18.813486152  12.305070688  -0.000000037
B       17.556770203  13.024844008  -0.000000097
B       18.811215418  15.202330893  -0.000000045
N       17.559195703  14.484181154  -0.000000101
H       18.812635305  16.397916463  -0.000000003
H       21.319132145   2.630212021  -0.000000010
N       21.317606819   3.637125929  -0.000000119
B       20.065229815   4.330214362   0.000000117
B       21.319678471   6.503502588  -0.000000011
N       20.066078335   5.781723270   0.000000152
N       21.319116608   7.953501311  -0.000000043
B       20.066841931   8.677605701   0.000000167
B       21.321694249  10.851642425  -0.000000036
N       20.067052931  10.129308283   0.000000032
N       21.320922223  12.305427296  -0.000000023
B       20.066832109  13.025951690  -0.000000012
B       21.322292289  15.202945405  -0.000000022
N       20.067195750  14.485141395  -0.000000023
H       21.320219642  16.398568654  -0.000000018
H       23.821692300   2.627372246  -0.000000043
N       23.821542244   3.634158128   0.000000323
B       22.572084835   4.329037587   0.000000027
B       23.826910243   6.501875438   0.000000581
N       22.570875216   5.780147651   0.000000027
N       23.823205159   7.951918214   0.000000390
B       22.573938341   8.676353169   0.000000028
B       23.830996758  10.850878859   0.000000195
N       22.573602800  10.128410281  -0.000000001
N       23.828829939  12.305210041  -0.000000043
B       22.577312057  13.025814309  -0.000000049
B       23.833914971  15.202567435  -0.000000041
N       22.575739241  14.485440177  -0.000000041
H       23.831095383  16.398426270   0.000000002

K_POINTS gamma
