                                                                          
     /$$     /$$ /$$$$$$  /$$      /$$ /$$$$$$$   /$$$$$$                 
    |  $$   /$$//$$__  $$| $$$    /$$$| $$__  $$ /$$__  $$                
     \  $$ /$$/| $$  \ $$| $$$$  /$$$$| $$  \ $$| $$  \ $$                
      \  $$$$/ | $$$$$$$$| $$ $$/$$ $$| $$$$$$$ | $$  | $$                
       \  $$/  | $$__  $$| $$  $$$| $$| $$__  $$| $$  | $$                
        | $$   | $$  | $$| $$\  $ | $$| $$  \ $$| $$  | $$                
        | $$   | $$  | $$| $$ \/  | $$| $$$$$$$/|  $$$$$$/                
        |__/   |__/  |__/|__/     |__/|_______/  \______/                 
                                                                          
         Version 5.0.4 Revision 19598 Hash 20b2ffa04                      
                       Branch is master                                   
                      MPI+HDF5_IO Build                                   
                  http://www.yambo-code.org                               
 
 11/29/2021 at 14:55 yambo @ alvinthinkpad
 ==================================================

 Cores               :  1
 Threads per core    :  1
 Threads total       :  1
 Nodes Computing     :  1
 Nodes IO            :  1

 Fragmented WFs      : yes
 CORE databases      : .
 Additional I/O      : .
 Communications      : .
 Input file          : (none)
 Report file         : ./r_setup
 Verbose log/report  : no

 Precision           : SINGLE
  
 [RD./SAVE//ns.db1]--------------------------------------------------------------
  Bands                                            :  100
  K-points                                         :  14
  G-vectors                                        :   8029 [RL space]
  Components                                       :  1016 [wavefunctions]
  Symmetries                                       :  24 [spatial+T-reV]
  Spinor components                                :  1
  Spin polarizations                               :  1
  Temperature                                      :  0.000000 [eV]
  Electrons                                        :  16.00000
  WF G-vectors                                     :  1477
  Max atoms/species                                :  2
  No. of atom species                              :  2
  Exact exchange fraction in XC                    :  0.000000
  Exact exchange screening in XC                   :  0.000000
  Magnetic symmetries                              : no
 - S/N 009327 ---------------------------------------------- v.05.00.04 r.19598 -

 [02] CORE Variables Setup
 =========================


  [02.01] Unit cells
  ==================

  Cell kind             :  HCP
  Atoms in the cell     :  B  N
  number of B  atoms    :  2
  number of N  atoms    :  2
  Alat factors          :   4.71600   4.08418  12.17671 [a.u.]

  Direct lattice volume :  234.5353 [a.u.]
  Direct lattice vectors:  A[ 1 ]  A[ 2 ]  A[ 3 ]
   A[ 1 ]:  1.000000  0.000000  0.000000  [iru]
   4.716000  0.000000  0.000000  [cc]
   A[ 2 ]: -0.500000  1.000000  0.000000  [iru]
  -2.358000  4.084176  0.000000  [cc]
   A[ 3 ]:  0.000000  0.000000  1.000000  [iru]
    0.00000   0.00000  12.17671  [cc]

  Recip. lattice volume :  1.057624 [a.u.]
  Recip. lattice vectors:  B[ 1 ]  B[ 2 ]  B[ 3 ]
   B[ 1 ]:  1.000000  0.500000  0.000000  [iku]
   1.332312  0.769211 -0.000000  [cc]
   B[ 2 ]:  0.000000  1.000000  0.000000  [iku]
   0.000000  1.538422  0.000000  [cc]
   B[ 3 ]:  0.000000  0.000000  1.000000  [iku]
   0.000000 -0.000000  0.516000  [cc]

  [02.02] Symmetries
  ==================

  Inversion symmetry    : yes
  Spatial inversion     : no
  Inversion index       :  13
  K-space Time-reversal : yes
  Magnetic symmetries   : no
  Time-reversal derived K-space symmetries:  13  24
  Group table correct   : yes
  Symmetries units      :  [cc]

   [S  1]:  1.000000  0.000000  0.000000  0.000000  1.000000  0.000000  0.000000  0.000000  1.000000
   [S  2]: -1.000000  0.000000  0.000000  0.000000  1.000000  0.000000  0.000000  0.000000 -1.000000
   [S  3]: -0.500000  0.866025  0.000000 -0.866025 -0.500000  0.000000  0.000000  0.000000  1.000000
   [S  4]: -0.500000 -0.866025  0.000000  0.866025 -0.500000  0.000000  0.000000  0.000000  1.000000
   [S  5]:  0.500000 -0.866025  0.000000 -0.866025 -0.500000  0.000000  0.000000  0.000000 -1.000000
   [S  6]:  0.500000  0.866025  0.000000  0.866025 -0.500000  0.000000  0.000000  0.000000 -1.000000
   [S  7]:  1.000000  0.000000  0.000000  0.000000  1.000000  0.000000  0.000000  0.000000 -1.000000
   [S  8]: -1.000000  0.000000  0.000000  0.000000  1.000000  0.000000  0.000000  0.000000  1.000000
   [S  9]: -0.500000 -0.866025  0.000000  0.866025 -0.500000  0.000000  0.000000  0.000000 -1.000000
   [S 10]: -0.500000  0.866025  0.000000 -0.866025 -0.500000  0.000000  0.000000  0.000000 -1.000000
   [S 11]:  0.500000  0.866025  0.000000  0.866025 -0.500000  0.000000  0.000000  0.000000  1.000000
   [S 12]:  0.500000 -0.866025  0.000000 -0.866025 -0.500000  0.000000  0.000000  0.000000  1.000000
   [S*13]: -1.000000 -0.000000 -0.000000 -0.000000 -1.000000 -0.000000 -0.000000 -0.000000 -1.000000
   [S*14]:  1.000000 -0.000000 -0.000000 -0.000000 -1.000000 -0.000000 -0.000000 -0.000000  1.000000
   [S*15]:  0.500000 -0.866025 -0.000000  0.866025  0.500000 -0.000000 -0.000000 -0.000000 -1.000000
   [S*16]:  0.500000  0.866025 -0.000000 -0.866025  0.500000 -0.000000 -0.000000 -0.000000 -1.000000
   [S*17]: -0.500000  0.866025 -0.000000  0.866025  0.500000 -0.000000 -0.000000 -0.000000  1.000000
   [S*18]: -0.500000 -0.866025 -0.000000 -0.866025  0.500000 -0.000000 -0.000000 -0.000000  1.000000
   [S*19]: -1.000000 -0.000000 -0.000000 -0.000000 -1.000000 -0.000000 -0.000000 -0.000000  1.000000
   [S*20]:  1.000000 -0.000000 -0.000000 -0.000000 -1.000000 -0.000000 -0.000000 -0.000000 -1.000000
   [S*21]:  0.500000  0.866025 -0.000000 -0.866025  0.500000 -0.000000 -0.000000 -0.000000  1.000000
   [S*22]:  0.500000 -0.866025 -0.000000  0.866025  0.500000 -0.000000 -0.000000 -0.000000  1.000000
   [S*23]: -0.500000 -0.866025 -0.000000 -0.866025  0.500000 -0.000000 -0.000000 -0.000000 -1.000000
   [S*24]: -0.500000  0.866025 -0.000000  0.866025  0.500000 -0.000000 -0.000000 -0.000000 -1.000000

  [02.03] Reciprocal space
  ========================

  nG shells         :  217
  nG charge         :   3187
  nG WFs            :  1477
  nC WFs            :  1016
  G-vecs. in first 21 shells:  [ Number ]
     1    3    5   11   13   25   37   39   51
    63   65   71   83   95  107  113  125  127
   139  151  163
  ...
  Shell energy in first 21 shells:  [ mHa ]
    0.00000      133.128      532.512      1183.37      1198.15      1316.50      1715.88      2130.05      2381.52   
    3313.42      3328.20      3550.11      3683.24      4082.62      4511.57      4733.48      4748.27      4792.61   
    4866.61      5266.00      5680.16   
  ...

  [02.04] K-grid lattice
  ======================

  Compatible Grid is   : 3D
  Base K vectors       :  K_min[ 1 ]  K_min[ 2 ]  K_min[ 3 ]
  K_min[ 1 ] :  0.000000 -0.166667  0.000000 [rlu]
  K_min[ 2 ] :  0.166667    -0.149012E-7   0.00000    [rlu]
  K_min[ 3 ] :  0.000000  0.000000 -0.500000 [rlu]
  Grid dimensions      :   6   6   2
  K lattice UC volume  :  0.014689 [a.u.]

  IBZ K-points :  14
  BZ  K-points :   72

  K/Q-points units:
  rlu = crystal or reduced units; cc = cartesian coordinates; iku = interal k-units

  K [ 1]:  0.000000  0.000000  0.000000 [rlu]
        : wf components:   997
        : BZ grid      : X S
  K [ 2]:  0.000000  0.000000 -0.500000 [rlu]
        : wf components:  1008
        : BZ grid      : X S
  K [ 3]:  0.000000  0.166667  0.000000 [rlu]
        : wf components:   996
        : BZ grid      : X S
  K [ 4]:  0.000000  0.166667 -0.500000 [rlu]
        : wf components:  1004
        : BZ grid      : X S
  K [ 5]:  0.000000  0.333333  0.000000 [rlu]
        : wf components:  1004
        : BZ grid      : X S
  K [ 6]:  0.000000  0.333333 -0.500000 [rlu]
        : wf components:   998
        : BZ grid      : X S
  K [ 7]:  0.000000 -0.500000  0.000000 [rlu]
        : wf components:  1016
        : BZ grid      : X S
  K [ 8]:  0.000000 -0.500000 -0.500000 [rlu]
        : wf components:   992
        : BZ grid      : X S
  K [ 9]:  0.166667  0.166667  0.000000 [rlu]
        : wf components:  1011
        : BZ grid      : X S
  K [10]:  0.166667  0.166667 -0.500000 [rlu]
        : wf components:  1006
        : BZ grid      : X S
  K [11]:  0.166667  0.333333  0.000000 [rlu]
        : wf components:  1004
        : BZ grid      : X S
  K [12]:  0.166667  0.333333 -0.500000 [rlu]
        : wf components:  1002
        : BZ grid      : X S
  K [13]:  0.333333  0.333333  0.000000 [rlu]
        : wf components:  1005
        : BZ grid      : X S
  K [14]:  0.333333  0.333333 -0.500000 [rlu]
        : wf components:  1002
        : BZ grid      : X S

  [02.05] Energies & Occupations
  ==============================

  [X] === General ===
  [X] Electronic Temperature                        :  0.000000  0.000000 [eV K]
  [X] Bosonic    Temperature                        :  0.000000  0.000000 [eV K]
  [X] Finite Temperature mode                       : no
  [X] El. density                                   :  0.46037E+24 [cm-3]
  [X] Fermi Level                                   :  5.110763 [eV]

  [X] === Gaps and Widths ===
  [X] Conduction Band Min                           :  3.878048 [eV]
  [X] Valence Band Max                              :  0.000000 [eV]
  [X] Filled Bands                                  :   8
  [X] Empty Bands                                   :    9  100
  [X] Direct Gap                                    :  4.289902 [eV]
  [X] Direct Gap localized at k-point               :   7
  [X] Indirect Gap                                  :  3.878048 [eV]
  [X] Indirect Gap between k-points                 :  14   7
  [X] Last valence band width                       :  3.401052 [eV]
  [X] 1st conduction band width                     :  4.266275 [eV]
   
   
  E @ K [ 1]:  [eV]
  -18.32401 -17.94786  -6.68537  -4.11306  -1.29971  -1.29970  -1.29641  -1.29640
    4.83247  10.76419  11.36172  11.36173  11.55502  11.55503  12.05359  13.23137
  occ @ K [ 1]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  E @ K [ 2]:  [eV]
  -18.14453 -18.14452  -5.55634  -5.55633  -1.33553  -1.33552  -1.33552  -1.33551
    7.56748   7.56748  11.45106  11.45107  11.45107  11.45109  12.87094  12.87094
  occ @ K [ 2]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  E @ K [ 3]:  [eV]
  -17.78170 -17.43198  -5.91513  -3.42537  -3.39757  -3.32073  -2.26061  -2.25957
    5.77531  10.16908  10.70439  11.21217  11.29839  13.67224  13.83510  13.90651
  occ @ K [ 3]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  E @ K [ 4]:  [eV]
  -17.61401 -17.61400  -4.85643  -4.85642  -3.34610  -3.34609  -2.25792  -2.25790
    8.14432   8.14432  10.98100  10.98100  12.10664  12.10664  13.76150  13.76151
  occ @ K [ 4]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  E @ K [ 5]:  [eV]
  -16.32440 -16.06110  -7.10097  -6.99483  -3.77706  -3.71073  -3.63825  -1.62489
    6.66800   7.81830   7.83500   9.90711  11.26932  15.22663  15.72151  18.72952
  occ @ K [ 5]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  E @ K [ 6]:  [eV]
  -16.19471 -16.19470  -7.05979  -7.05977  -3.64577  -3.64576  -2.79196  -2.79195
    6.94509   6.94510   9.70446   9.70447  12.23632  12.23633  17.99016  17.99017
  occ @ K [ 6]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  E @ K [ 7]:  [eV]
  -15.11734 -15.02790  -9.10926  -9.02984  -4.30843  -4.20385  -1.68586  -0.41185
    3.87805   5.63942   9.22344   9.62148  12.43652  13.53841  15.02974  19.16713
  occ @ K [ 7]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  E @ K [ 8]:  [eV]
  -15.06625 -15.06623  -9.06437  -9.06436  -4.23419  -4.23418  -0.96438  -0.96437
    4.44156   4.44156   9.64104   9.64105  13.50764  13.50764  16.73441  16.73441
  occ @ K [ 8]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  E @ K [ 9]:  [eV]
  -16.76878 -16.47793  -5.70088  -5.66128  -4.46911  -4.06098  -3.96945  -2.17695
    7.42439   8.29474   8.56308  11.93573  12.37250  13.41624  14.61956  15.02019
  occ @ K [ 9]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  E @ K [10]:  [eV]
  -16.62574 -16.62572  -5.69510  -5.69509  -4.03245  -4.03244  -3.40106  -3.40105
    7.95314   7.95314  10.77807  10.77807  12.22458  12.22459  14.88909  14.88910
  occ @ K [10]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  E @ K [11]:  [eV]
  -15.22886 -15.07196  -8.30373  -8.20491  -5.46692  -5.38893  -1.96285  -0.39481
    4.85660   6.04775  10.15175  11.84369  12.46896  12.99979  14.73945  18.22405
  occ @ K [11]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  E @ K [12]:  [eV]
  -15.15011 -15.15010  -8.26346  -8.26345  -5.43059  -5.43058  -1.17301  -1.17300
    5.22350   5.22351  11.57938  11.57939  12.77386  12.77386  16.05251  16.05252
  occ @ K [12]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  E @ K [13]:  [eV]
  -14.48474 -14.48473  -8.32533  -8.05404  -7.22091  -7.22090  -0.13397  -0.13395
    4.67699   4.67699  10.08911  13.15010  13.15010  13.71018  16.69689  17.98586
  occ @ K [13]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  E @ K [14]:  [eV]
   -14.4846     -14.4846     -8.17902     -8.17901     -7.22706     -7.22705    -0.145973E-4   0.00000   
    4.35249   4.35250  11.44937  11.44937  14.07273  14.07273  17.69813  17.69814
  occ @ K [14]
   2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000  2.000000
   0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000

 [03] Transferred momenta grid and indexing
 ==========================================

 [RD./SAVE//ndb.kindx]-----------------------------------------------------------
  Fragmentation                                    : no
  Polarization last K                              :  14
  QP states                                        :   1  14
  X grid is uniform                                : yes
  Grids                                            : X S
  BS scattering                                    : no
  COLL scattering                                  : no
  Sigma scattering                                 : yes
  X scattering                                     : yes
 - S/N 009327 ---------------------------------------------- v.05.00.04 r.19598 -

 IBZ Q-points :  14
 BZ  Q-points :   72

 K/Q-points units:
 rlu = crystal or reduced units; cc = cartesian coordinates; iku = interal k-units

 Q [ 1]:  0.000000  0.000000  0.000000 [rlu]
 Q [ 2]:  0.000000  0.000000 -0.500000 [rlu]
 Q [ 3]:  0.000000  0.166667  0.000000 [rlu]
 Q [ 4]:  0.000000  0.166667 -0.500000 [rlu]
 Q [ 5]:  0.000000  0.333333  0.000000 [rlu]
 Q [ 6]:  0.000000  0.333333 -0.500000 [rlu]
 Q [ 7]:  0.000000 -0.500000  0.000000 [rlu]
 Q [ 8]:  0.000000 -0.500000 -0.500000 [rlu]
 Q [ 9]:  0.166667  0.166667  0.000000 [rlu]
 Q [10]:  0.166667  0.166667 -0.500000 [rlu]
 Q [11]:  0.166667  0.333333  0.000000 [rlu]
 Q [12]:  0.166667  0.333333 -0.500000 [rlu]
 Q [13]:  0.333333  0.333333  0.000000 [rlu]
 Q [14]:  0.333333  0.333333 -0.500000 [rlu]

 [04] Timing Overview
 ====================

 Clock: global
      io_ATMPROJ_pwscf :      0.0000s CPU
            io_DIPOLES :      0.0000s CPU
            io_COL_CUT :      0.0000s CPU
                 io_BS :      0.0000s CPU
          io_KB_abinit :      0.0000s CPU
                 io_HF :      0.0000s CPU
        io_Double_Grid :      0.0001s CPU
                  io_X :      0.0001s CPU (4 calls,   0.023 msec avg)
           io_KB_pwscf :      0.0044s CPU
                 io_WF :      0.0053s CPU
               io_GROT :      0.0104s CPU (2 calls,   5.185 msec avg)
              io_QINDX :      0.0110s CPU (2 calls,   5.489 msec avg)

 [05] Game Over & Game summary
 =============================

 11/29/2021 at 14:55 yambo @ alvinthinkpad [start]
 11/29/2021 at 14:55                       [end]

  
 .-ACKNOWLEDGMENT
 |
 | The users of YAMBO have little formal obligations with respect to
 | the YAMBO group (those specified in the GNU General Public
 | License, http://www.gnu.org/copyleft/gpl.txt). However, it is
 | common practice in the scientific literature, to acknowledge the
 | efforts of people that have made the research possible. In this
 | spirit, please find below the reference we kindly ask you to use
 | in order to acknowledge YAMBO
 |
 | Many-body perturbation theory calculations using the yambo code
 | D. Sangalli, A. Ferretti, H. Miranda, C. Attaccalite, I. Marri, E. Cannuccia, P. Melo,
 | M Marsili, F Paleari, A Marrazzo, G Prandini, P Bonfà, M O Atambo, F Affinito,
 | M Palummo, A Molina-Sánchez, C Hogan, M Grüning, D Varsano and A Marini.
 | J. Phys.: Condens. Matter 31, 325902 (2019).
 |
 | Yambo: An ab initio tool for excited state calculations
 | A. Marini, C. Hogan, M. Grüning, D. Varsano
 | Computer Physics Communications 180, 1392 (2009).
 |
  
 .-Input file  (none)
 | BoseTemp= 0.000000         eV    # Bosonic Temperature
