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    :+:   :+: :+: :+:   +:+:+: :+:+:+ :+:    :+: :+:    :+                
     +:+ +:+ +:+   +:+  +:+ +:+:+ +:+ +:+    +:+ +:+    +:+               
      +#++: +#++:++#++: +#+  +:+  +#+ +#++:++#+  +#+    +:+               
       +#+  +#+     +#+ +#+       +#+ +#+    +#+ +#+    +#+               
       #+#  #+#     #+# #+#       #+# #+#    #+# #+#    #+#               
       ###  ###     ### ###       ### #########   ########                
                                                                          
                                                                          
    Version 5.3.0 Revision 23927 Hash (prev commit) 1730222ea             
                           Branch is                                      
            MPI+OpenMP+SLK+SLEPC+HDF5_MPI_IO Build                        
                   http://www.yambo-code.eu                               
 
 07/17/2026 at 01:31 yambo_rt @ fn3.lthpc.com
 ==================================================

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

 Fragmented WFs      : yes
 CORE databases      : .
 Additional I/O      : .
 Communications      : coll_files
 Input file          : coll_files/collision.in
 Report file         : coll_files/r-coll_rim_cut_dipoles_collisions_em1s_05
 Verbose log/report  : no
 Log files           : coll_files/LOG

 Job   string        : coll

 Precision           : DOUBLE
  
 [RD./SAVE//ns.db1]--------------------------------------------------------------
  Bands                                            :  250
  K-points                                         :   324
  G-vectors                                        :  112833 [RL space]
  Components                                       :  14173 [wavefunctions]
  Symmetries                                       :  1 [spatial]
  Spinor components                                :  2
  Spin polarizations                               :  1
  Temperature                                      :  0.000000 [eV]
  Electrons                                        :  37.00000
  WF G-vectors                                     :  17367
  Max atoms/species                                :  1
  No. of atom species                              :  3
  Exact exchange fraction in XC                    :  0.240000
  Exact exchange screening in XC                   :  0.150000
  Magnetic symmetries                              : no
 - S/N 004282 ---------------------------------------------- v.05.03.00 r.23959 -

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


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

  Cell kind             :  HCP
  Atoms in the cell     :  Cr  Se  I
  number of Cr atoms    :  1
  number of Se atoms    :  1
  number of I  atoms    :  1

  List of atomic masses
  Mass of Cr    :  51.99610
  Mass of Se    :  78.96000
  Mass of I     :  126.9045

  List of atomic coordinates    : [cc]
  Cr1       :   0.00000   0.00000  19.20287  order 1
  Se1       : -0.368625E-7   4.17305      21.6637     order 2
  I1       :   3.61397   2.08653  15.82519  order 3

  Alat factors          :   7.22794   6.25958  39.72153 [a.u.]
  Direct lattice volume :   1797.16    [a.u.]
  Direct lattice vectors:  A[ 1 ]  A[ 2 ]  A[ 3 ]
   A[ 1 ]:  1.000000  0.000000  0.000000  [iru]
   A[ 2 ]: -0.500000  1.000000  0.000000  [iru]
   A[ 3 ]:  0.000000  0.000000  1.000000  [iru]

  Recip. lattice volume :  0.138024 [a.u.]
  Recip. lattice vectors:  B[ 1 ]  B[ 2 ]  B[ 3 ]
   B[ 1 ]:  1.000000  0.500000  0.000000  [iku]
   B[ 2 ]:  0.000000  1.000000  0.000000  [iku]
   B[ 3 ]:  0.000000  0.000000  1.000000  [iku]
   

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

  Inversion symmetry    : no
  Spatial inversion     : no
  K-space Time-reversal : no
  Magnetic symmetries   : no
  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

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

  nG shells         :   5292
  nG charge         :  112833
  nG WFs            :  17367
  nC WFs            :  14173
  G-vecs. in first 80 shells:  [ Number ]
    1   3   5   7   9  11  13  19  31
    43   45   57   69   71   83   95   97  109
   111  123  129  131  143  155  167  179  191
   203  205  217  229  235  247  259  271  273
    285   297   309   321   333   345   347   359   371
    383   395   407   409   421   433   445   457   459
    471   483   495   507   519   543   567   569   581
    605   617   641   653   677   689   713   715   727
    739   763   775   799   811   813   819   843
  ...
  Shell energy in first 80 shells:  [ mHa ]
     0.0000   12.5106   50.0424  112.5953  200.1695  312.7648  450.3813  503.7778  516.2884
    553.820      613.019      616.373      703.947      800.678      816.543      954.159      1013.36      1116.80   
    1251.06      1304.46      1511.33      1513.78      1517.14      1523.84      1561.38      1623.93      1711.50   
    1754.84      1801.53      1824.10      1961.71      2015.11      2017.56      2027.62      2065.15      2114.29   
    2124.35      2127.71      2215.28      2305.30      2312.01      2327.88      2452.08      2465.49      2524.69   
    2618.07      2628.13      2762.39      2814.88      2815.79      2955.85      3025.11      3028.47      3202.71   
    3266.17      3312.86      3318.66      3526.44      3528.89      3538.96      3576.49      3615.56      3625.62   
    3639.04      3706.49      3726.61      3816.64      3839.21      3963.41      3976.83      4053.43      4119.34   
    4129.40      4139.46      4326.22      4327.12      4467.19      4516.32      4534.00      4539.80   
  ...

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

  Compatible Grid is   : 2D
  Base K vectors       :  K_min[ 1 ]  K_min[ 2 ]  K_min[ 3 ]
  K_min[ 1 ] : -0.55556E-01 -0.39309E-14   0.0000     [rlu]
  K_min[ 2 ] :  0.000000 -0.055556  0.000000 [rlu]
  Grid dimensions      :  18  18
  K lattice UC volume  :  0.425999E-3 [a.u.]

  [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                                   :  0.13894E+24 [cm-3]
  [X] Fermi Level                                   : -2.220719 [eV]

  [X] === Gaps and Widths ===
  [X] Conduction Band Min                           :  1.259077 [eV]
  [X] Valence Band Max                              :  0.000000 [eV]
  [X] Filled Bands                                  :   37
  [X] Empty Bands                                   :   38  250
  [X] Direct Gap                                    :  1.935307 [eV]
  [X] Direct Gap localized at k                     :   50
  [X] Indirect Gap                                  :  1.259077 [eV]
  [X] Indirect Gap between kpts                     :    1   35
  [X] Last valence band width                       :  1.450000 [eV]
  [X] 1st conduction band width                     :  1.264302 [eV]
   
   

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

 [RD./SAVE//ndb.kindx]-----------------------------------------------------------
  Fragmentation                                    : no
  Polarization last K ( bz)                        :   324
  Polarization last K (ibz)                        :   324
  QP states                                        :     1   324
  X grid is uniform                                : yes
  Grids (string)                                   :  X S
  Grids (int-vector)                               :  1  0  0  1
 - S/N 004282 ---------------------------------------------- v.05.03.00 r.23959 -

 IBZ Q-points                                      :   324
 BZ  Q-points                                      :   324

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

 Q [  1]        [rlu]:  0.000000  0.000000  0.000000
 Q [  2]        [rlu]:  0.000000  0.055556  0.000000
 Q [  3]        [rlu]:  0.000000  0.111111  0.000000
 Q [  4]        [rlu]:  0.000000  0.166667  0.000000
 Q [  5]        [rlu]:  0.000000  0.222222  0.000000
 Q [  6]        [rlu]:  0.000000  0.277778  0.000000
 Q [  7]        [rlu]:  0.000000  0.333333  0.000000
 Q [  8]        [rlu]:  0.000000  0.388889  0.000000
 Q [  9]        [rlu]:  0.000000  0.444444  0.000000
 Q [ 10]        [rlu]:  0.000000 -0.500000  0.000000
 Q [ 11]        [rlu]:  0.055556  0.055556  0.000000
 Q [ 12]        [rlu]:  0.055556  0.111111  0.000000
 Q [ 13]        [rlu]:  0.055556  0.166667  0.000000
 Q [ 14]        [rlu]:  0.055556  0.222222  0.000000
 Q [ 15]        [rlu]:  0.055556  0.277778  0.000000
 Q [ 16]        [rlu]:  0.055556  0.333333  0.000000
 Q [ 17]        [rlu]:  0.055556  0.388889  0.000000
 Q [ 18]        [rlu]:  0.055556  0.444444  0.000000
 Q [ 19]        [rlu]:  0.111111  0.111111  0.000000
 Q [ 20]        [rlu]:  0.111111  0.166667  0.000000
 Q [ 21]        [rlu]:  0.111111  0.222222  0.000000
 Q [ 22]        [rlu]:  0.111111  0.277778  0.000000
 Q [ 23]        [rlu]:  0.111111  0.333333  0.000000
 Q [ 24]        [rlu]:  0.111111  0.388889  0.000000
 Q [ 25]        [rlu]:  0.111111  0.444444  0.000000
 Q [ 26]        [rlu]:  0.166667  0.166667  0.000000
 Q [ 27]        [rlu]:  0.166667  0.222222  0.000000
 Q [ 28]        [rlu]:  0.166667  0.277778  0.000000
 Q [ 29]        [rlu]:  0.166667  0.333333  0.000000
 Q [ 30]        [rlu]:  0.166667  0.388889  0.000000
 Q [ 31]        [rlu]:  0.222222  0.222222  0.000000
 Q [ 32]        [rlu]:  0.222222  0.277778  0.000000
 Q [ 33]        [rlu]:  0.222222  0.333333  0.000000
 Q [ 34]        [rlu]:  0.222222  0.388889  0.000000
 Q [ 35]        [rlu]:  0.277778  0.277778  0.000000
 Q [ 36]        [rlu]:  0.277778  0.333333  0.000000
 Q [ 37]        [rlu]:  0.333333  0.333333  0.000000
 Q [ 38]        [rlu]:  0.000000 -0.055556  0.000000
 Q [ 39]        [rlu]:  0.000000 -0.111111  0.000000
 Q [ 40]        [rlu]:  0.000000 -0.166667  0.000000
 Q [ 41]        [rlu]:  0.000000 -0.222222  0.000000
 Q [ 42]        [rlu]:  0.000000 -0.277778  0.000000
 Q [ 43]        [rlu]:  0.000000 -0.333333  0.000000
 Q [ 44]        [rlu]:  0.000000 -0.388889  0.000000
 Q [ 45]        [rlu]:  0.000000 -0.444444  0.000000
 Q [ 46]        [rlu]: -0.055556  0.111111  0.000000
 Q [ 47]        [rlu]:  0.055556 -0.166667  0.000000
 Q [ 48]        [rlu]: -0.111111  0.166667  0.000000
 Q [ 49]        [rlu]: -0.055556  0.166667  0.000000
 Q [ 50]        [rlu]:  0.055556 -0.222222  0.000000

 Remaining 274 points informations can be written running with -fatlog


 [04] Coloumb potential Random Integration (RIM)
 ===============================================

 [RD./coll//ndb.RIM]-------------------------------------------------------------
  Brillouin Zone Q/K grids (IBZ/BZ)                :   324   324   324   324
  *WRN* Coulomb cutoff potential                   : none
  Coulombian RL components                         :  203
  Coulombian diagonal components                   : yes
  RIM random points                                :  3000000
  RIM  RL volume             [a.u.]                :  0.138019
  Real RL volume             [a.u.]                :  0.138024
  Eps^-1 reference component                       : 0
  Eps^-1 components                                :  0.000000  0.000000  0.000000
  RIM anysotropy factor                            :  0.000000
 - S/N 004282 ---------------------------------------------- v.05.03.00 r.23959 -

 Summary of Coulomb integrals for non-metallic bands |Q|[au] RIM/Bare

 Q [1] 0.100000E-4 0.857525 * Q [321] 0.055765 0.714663
 Q [243] 0.055765 0.714653 * Q [162] 0.055765 0.714367
 Q [324] 0.055765 0.714622 * Q [2] 0.055765 0.714633
 Q [38] 0.055765 0.714250 * Q [252] 0.096588 0.877574
 Q [134] 0.096588 0.877487 * Q [261] 0.096588 0.877263
 Q [133] 0.096588 0.877436 * Q [11] 0.096588 0.877574
 Q [46] 0.096588 0.877590 * Q [135] 0.111530 0.911233
 Q [112] 0.111530 0.911415 * Q [113] 0.111530 0.911450
 Q [318] 0.111530 0.911398 * Q [39] 0.111530 0.911193
 Q [3] 0.111530 0.911450 * Q [137] 0.147540 0.961088
 Q [143] 0.147540 0.960963 * Q [279] 0.147540 0.961069
 Q [288] 0.147540 0.960869 * Q [136] 0.147540 0.961075
 Q [142] 0.147540 0.960994 * Q [140] 0.147540 0.961019
 Q [12] 0.147540 0.961089 * Q [47] 0.147540 0.960858
 Q [49] 0.147540 0.961102 * Q [48] 0.147540 0.961102
 Q [139] 0.147540 0.960931 * Q [189] 0.167295 0.976048
 Q [115] 0.167295 0.976062 * Q [116] 0.167295 0.976106
 Q [216] 0.167295 0.975933 * Q [40] 0.167295 0.975911
 Q [4] 0.167295 0.976106 * Q [156] 0.193176 0.988251
 Q [200] 0.193176 0.988174 * Q [159] 0.193176 0.988078
 Q [199] 0.193176 0.988153 * Q [19] 0.193176 0.988254
 Q [68] 0.193176 0.988274 * Q [146] 0.201064 0.990797
 Q [306] 0.201064 0.990769 * Q [152] 0.201064 0.990679
 Q [315] 0.201064 0.990632 * Q [151] 0.201064 0.990724
 Q [145] 0.201064 0.990776 * Q [50] 0.201064 0.990622
 Q [52] 0.201064 0.990808 * Q [13] 0.201064 0.990799
 Q [149] 0.201064 0.990740 * Q [51] 0.201064 0.990808
 Q [148] 0.201064 0.990659 * Q [270] 0.223060 0.995859
 Q [118] 0.223060 0.995870 * Q [297] 0.223060 0.995774
 Q [119] 0.223060 0.995912 * Q [5] 0.223060 0.995913
 Q [41] 0.223060 0.995759 * Q [203] 0.243074 0.998759
 Q [165] 0.243074 0.998748 * Q [209] 0.243074 0.998679
 Q [206] 0.243074 0.998699 * Q [208] 0.243074 0.998684
 Q [202] 0.243074 0.998753 * Q [168] 0.243074 0.998620
 Q [20] 0.243074 0.998762 * Q [71] 0.243074 0.998777
 Q [69] 0.243074 0.998617 * Q [70] 0.243074 0.998777
 Q [205] 0.243074 0.998663 * Q [155] 0.255548 0.999963
 Q [111] 0.255548 0.999932 * Q [161] 0.255548 0.999860
 Q [160] 0.255548 0.999903 * Q [154] 0.255548 0.999939
 Q [114] 0.255548 0.999832 * Q [55] 0.255548 0.999972
 Q [53] 0.255548 0.999824 * Q [14] 0.255548 0.999965
 Q [158] 0.255548 0.999915 * Q [54] 0.255548 0.999971
 Q [157] 0.255548 0.999846 * Q [121] 0.278825 1.001354
 Q [117] 0.278825 1.001345 * Q [122] 0.278825 1.001392
 Q [126] 0.278825 1.001278 * Q [6] 0.278825 1.001393
 Q [42] 0.278825 1.001268 * Q [251] 0.289764 1.001729
 Q [219] 0.289764 1.001786 * Q [26] 0.289764 1.001789
 Q [250] 0.289764 1.001717 * Q [222] 0.289764 1.001672
 Q [85] 0.289764 1.001807 * Q [218] 0.295081 1.001871
 Q [212] 0.295081 1.001948 * Q [174] 0.295081 1.001932
 Q [177] 0.295081 1.001833 * Q [217] 0.295081 1.001887
 Q [211] 0.295081 1.001937 * Q [215] 0.295081 1.001899
 Q [21] 0.295081 1.001950 * Q [72] 0.295081 1.001829
 Q [74] 0.295081 1.001962 * Q [73] 0.295081 1.001961
 Q [214] 0.295081 1.001859 * Q [170] 0.310487 1.002183
 Q [164] 0.310487 1.002273 * Q [120] 0.310487 1.002242
 Q [169] 0.310487 1.002222 * Q [163] 0.310487 1.002249
 Q [123] 0.310487 1.002166 * Q [15] 0.310487 1.002275
 Q [58] 0.310487 1.002280 * Q [56] 0.310487 1.002159
 Q [167] 0.310487 1.002232 * Q [57] 0.310487 1.002279
 Q [166] 0.310487 1.002173 * Q [125] 0.334590 1.002501
 Q [124] 0.334590 1.002467 * Q [153] 0.334590 1.002405
 Q [144] 0.334590 1.002459 * Q [7] 0.334590 1.002502
 Q [43] 0.334590 1.002397 * Q [254] 0.339205 1.002505
 Q [228] 0.339205 1.002499 * Q [260] 0.339205 1.002448
 Q [257] 0.339205 1.002458 * Q [253] 0.339205 1.002503
 Q [231] 0.339205 1.002407 * Q [259] 0.339205 1.002448
 Q [27] 0.339205 1.002508 * Q [88] 0.339205 1.002522
 Q [86] 0.339205 1.002406 * Q [87] 0.339205 1.002522
 Q [256] 0.339205 1.002438 * Q [221] 0.348253 1.002524
 Q [183] 0.348253 1.002505 * Q [227] 0.348253 1.002453
 Q [226] 0.348253 1.002473 * Q [220] 0.348253 1.002510
 Q [186] 0.348253 1.002427 * Q [224] 0.348253 1.002482
 Q [75] 0.348253 1.002424 * Q [22] 0.348253 1.002526
 Q [77] 0.348253 1.002535 * Q [76] 0.348253 1.002534
 Q [223] 0.348253 1.002444 * Q [179] 0.365676 1.002422
 Q [173] 0.365676 1.002502 * Q [129] 0.365676 1.002472
 Q [178] 0.365676 1.002458 * Q [172] 0.365676 1.002478
 Q [132] 0.365676 1.002411 * Q [61] 0.365676 1.002507
 Q [59] 0.365676 1.002405 * Q [16] 0.365676 1.002503
 Q [176] 0.365676 1.002466 * Q [60] 0.365676 1.002506
 Q [175] 0.365676 1.002415 * Q [290] 0.386352 1.002358
 Q [264] 0.386352 1.002401 * Q [267] 0.386352 1.002318
 Q [289] 0.386352 1.002349 * Q [31] 0.386352 1.002405
 Q [98] 0.386352 1.002420 * Q [127] 0.390355 1.002363
 Q [180] 0.390355 1.002310 * Q [171] 0.390355 1.002356
 Q [128] 0.390355 1.002393 * Q [237] 0.390355 1.002374
 Q [269] 0.390355 1.002329 * Q [263] 0.390355 1.002384
 Q [266] 0.390355 1.002344 * Q [240] 0.390355 1.002299
 Q [268] 0.390355 1.002336 * Q [262] 0.390355 1.002378
 Q [44] 0.390355 1.002304 * Q [8] 0.390355 1.002394
 Q [28] 0.390355 1.002387 * Q [91] 0.390355 1.002398
 Q [89] 0.390355 1.002297 * Q [90] 0.390355 1.002398
 Q [265] 0.390355 1.002320 * Q [236] 0.402127 1.002253
 Q [230] 0.402127 1.002318 * Q [192] 0.402127 1.002298
 Q [235] 0.402127 1.002274 * Q [229] 0.402127 1.002303
 Q [195] 0.402127 1.002235 * Q [23] 0.402127 1.002320
 Q [80] 0.402127 1.002327 * Q [78] 0.402127 1.002231
 Q [233] 0.402127 1.002281 * Q [79] 0.402127 1.002326
 Q [232] 0.402127 1.002246 * Q [188] 0.421017 1.002126
 Q [182] 0.421017 1.002196 * Q [138] 0.421017 1.002169
 Q [187] 0.421017 1.002158 * Q [181] 0.421017 1.002174
 Q [141] 0.421017 1.002118 * Q [62] 0.421017 1.002113
 Q [17] 0.421017 1.002198 * Q [64] 0.421017 1.002201
 Q [185] 0.421017 1.002165 * Q [63] 0.421017 1.002200
 Q [184] 0.421017 1.002120 * Q [293] 0.435539 1.002088
 Q [299] 0.435539 1.002044 * Q [273] 0.435539 1.002084
 Q [296] 0.435539 1.002050 * Q [298] 0.435539 1.002043
 Q [292] 0.435539 1.002087 * Q [276] 0.435539 1.002014
 Q [101] 0.435539 1.002104 * Q [99] 0.435539 1.002013
 Q [32] 0.435539 1.002091 * Q [100] 0.435539 1.002103
 Q [295] 0.435539 1.002037 * Q [246] 0.442621 1.002031
 Q [278] 0.442621 1.001990 * Q [272] 0.442621 1.002043
 Q [249] 0.442621 1.001968 * Q [277] 0.442621 1.002001
 Q [271] 0.442621 1.002035 * Q [275] 0.442621 1.002008
 Q [29] 0.442621 1.002045 * Q [94] 0.442621 1.002054
 Q [92] 0.442621 1.001966 * Q [93] 0.442621 1.002054
 Q [274] 0.442621 1.001984 * Q [198] 0.446120 1.001993
 Q [130] 0.446120 1.001998 * Q [207] 0.446120 1.001954
 Q [131] 0.446120 1.002026 * Q [45] 0.446120 1.001949
 Q [9] 0.446120 1.002027 * Q [245] 0.456457 1.001892
 Q [239] 0.456457 1.001951 * Q [201] 0.456457 1.001932
 Q [244] 0.456457 1.001913 * Q [238] 0.456457 1.001936
 Q [204] 0.456457 1.001879 * Q [83] 0.456457 1.001959
 Q [81] 0.456457 1.001876 * Q [24] 0.456457 1.001953
 Q [242] 0.456457 1.001919 * Q [82] 0.456457 1.001958
 Q [241] 0.456457 1.001887 * Q [197] 0.476457 1.001759
 Q [191] 0.476457 1.001821 * Q [147] 0.476457 1.001796
 Q [196] 0.476457 1.001787 * Q [150] 0.476457 1.001752
 Q [190] 0.476457 1.001801 * Q [18] 0.476457 1.001823
 Q [67] 0.476457 1.001826 * Q [65] 0.476457 1.001748
 Q [194] 0.476457 1.001793 * Q [66] 0.476457 1.001825
 Q [193] 0.476457 1.001753 * Q [314] 0.482939 1.001734
 Q [300] 0.482939 1.001770 * Q [106] 0.482939 1.001786
 Q [313] 0.482939 1.001728 * Q [303] 0.482939 1.001705
 Q [35] 0.482939 1.001773 * Q [308] 0.486148 1.001710
 Q [302] 0.486148 1.001753 * Q [282] 0.486148 1.001746
 Q [305] 0.486148 1.001719 * Q [307] 0.486148 1.001713
 Q [301] 0.486148 1.001749 * Q [285] 0.486148 1.001686
 Q [104] 0.486148 1.001766 * Q [102] 0.486148 1.001685
 Q [33] 0.486148 1.001755 * Q [103] 0.486148 1.001766
 Q [304] 0.486148 1.001704 * Q [255] 0.495651 1.001684
 Q [287] 0.495651 1.001648 * Q [281] 0.495651 1.001697
 Q [258] 0.495651 1.001631 * Q [286] 0.495651 1.001660
 Q [280] 0.495651 1.001688 * Q [284] 0.495651 1.001666
 Q [30] 0.495651 1.001699 * Q [97] 0.495651 1.001707
 Q [95] 0.495651 1.001629 * Q [96] 0.495651 1.001706
 Q [283] 0.495651 1.001642 * Q [234] 0.501885 1.001665
 Q [225] 0.501885 1.001640 * Q [10] 0.501885 1.001597
 Q [210] 0.511095 1.001589 * Q [213] 0.511095 1.001544
 Q [25] 0.511095 1.001610 * Q [248] 0.511095 1.001580
 Q [84] 0.511095 1.001614 * Q [247] 0.511095 1.001549
 Q [323] 0.531965 1.001452 * Q [317] 0.531965 1.001487
 Q [309] 0.531965 1.001484 * Q [320] 0.531965 1.001455
 Q [322] 0.531965 1.001450 * Q [316] 0.531965 1.001487
 Q [312] 0.531965 1.001428 * Q [109] 0.531965 1.001501
 Q [107] 0.531965 1.001427 * Q [36] 0.531965 1.001490
 Q [108] 0.531965 1.001501 * Q [319] 0.531965 1.001446
 Q [291] 0.537779 1.001451 * Q [311] 0.537779 1.001429
 Q [294] 0.537779 1.001399 * Q [34] 0.537779 1.001462
 Q [105] 0.537779 1.001470 * Q [310] 0.537779 1.001413
 Q [110] 0.579527 1.001274 * Q [37] 0.579527 1.001262
 Non-periodic chartesian directions : none
 Optical renormalization            :  39.72153 [au]
 Polarizability dimension           : length


 [05] Coloumb potential CutOff slab z
 ====================================

 [RD./coll//ndb.cutoff]----------------------------------------------------------
  Brillouin Zone Q/K grids (IBZ/BZ)                :   324   324   324   324
  CutOff Geometry                                  : slab z
  Coulomb cutoff potential                         : slab z
  Box sides length            [au]                 :  0.000000  0.000000  0.000000
  Sphere/Cylinder radius      [au]                 :  0.000000
  Cylinder length             [au]                 :  0.000000
  RL components                                    :  17373
  RL components used in the sum                    :  112833
  RIM corrections included                         : no
  RIM RL components                                : 0
  RIM random points                                : 0
 - S/N 004282 ---------------------------------------------- v.05.03.00 r.23959 -

 [06] Dipoles
 ============


  [06.01] Setup: observables and procedures
  =========================================

   System with reduced dimensionality
   Smallest q vectors (crystal coordinates) :
        0.055556      0.055556      0.000000
   Smallest g0 vector in each direction: positive:  19  17   3
                                         negative:  14  16   2
   Lenght of G vectors in each direction:     1.00377071    1.00377071    0.15818085
  [RD./coll//ndb.dipoles]---------------------------------------------------------
   Brillouin Zone Q/K grids (IBZ/BZ)                :   324   324   324   324
   RL vectors                                       :  17373 [WF]
   Fragmentation                                    : yes
   Electronic Temperature                           :  0.000000 [K]
   Bosonic    Temperature                           :  0.000000 [K]
   DIP band range                                   :    1  150
   DIP band range limits                            :   37   38
   DIP e/h energy range                             : -1.000000 -1.000000 [eV]
   RL vectors in the sum                            :  17373
   [r,Vnl] included                                 : yes
   Bands ordered                                    : yes
   Direct v evaluation                              : no
   Approach used                                    : Covariant
   *WRN*Dipoles computed                            : S R V [covarian] P [G-space] R_z V_z [X-space]
   Wavefunctions                                    : GAUPBE(XC)
  - S/N 004282 ---------------------------------------------- v.05.03.00 r.23959 -
  [RD./coll//ndb.Overlap]---------------------------------------------------------
   Brillouin Zone Q/K grids (IBZ/BZ)                :   324   324   324   324
   RL vectors                                       :  17373 [WF]
   Fragmentation                                    : yes
   Electronic Temperature                           :  0.000000 [K]
   Bosonic    Temperature                           :  0.000000 [K]
   DIP band range                                   :    1  150
   DIP band range limits                            :   37   38
   Bands ordered                                    : yes
   RL vectors in the sum                            :  17373
   Wavefunctions                                    : GAUPBE(XC)
  - S/N 004282 ---------------------------------------------- v.05.03.00 r.23959 -

 [07] Static Dielectric Matrix
 =============================

 [RD./coll//ndb.em1s]------------------------------------------------------------
  Brillouin Zone Q/K grids (IBZ/BZ)                :   324   324   324   324
  RL vectors                                       :  17373 [WF]
  Coulomb cutoff potential                         : slab z
  Fragmentation                                    : yes
  Electronic Temperature                           :  0.000000 [K]
  Bosonic    Temperature                           :  0.000000 [K]
  Static diel. fun.  energies                      : GAUPBE(XC)
  wavefunctions                                    : GAUPBE(XC)
  Global Gauge                                     : length
  X matrix size                                    :  1637
  X band range                                     :    1  150
  X e/h energy range                               : -1.000000 -1.000000 [eV]
  X Time ordering                                  : T
  X Hxc Kernel                                     : HARTREE
  X Drude frequency                                :  0.000000  0.000000
  X poles                                          :  100.0000 [o/o]
  RL vectors in the sum                            :  17373
  [r,Vnl] included                                 : yes
  Field direction                                  :  0.707107E-5  0.707107E-5   0.00000   
  BZ energy Double Grid                            : no
  BZ energy DbGd points                            : 0
  BZ Q point size factor                           : -1.000000
  X Optical Averaged directions                    : none
 - S/N 004282 ---------------------------------------------- v.05.03.00 r.23927 -
 [RD./coll//ndb.em1s_fragment_1]-------------------------------------------------
  Current Q-pt index                               :  1
  X energy range                                   :  0.000000  0.000000 eV
  X damping range                                  :  0.001000  0.001000 eV
  Number of frequencies                            :  1
 - S/N 004282 ---------------------------------------------- v.05.03.00 r.23927 -
 [RD./coll//ndb.em1s_fragment_2]-------------------------------------------------
  Current Q-pt index                               :  2
  X energy range                                   :  0.000000  0.000000 eV
  X damping range                                  :  0.001000  0.001000 eV
  Number of frequencies                            :  1
 - S/N 004282 ---------------------------------------------- v.05.03.00 r.23927 -

 Timing [Min/Max/Average]: 22s/22s/22s

 [08] Extended collisions
 ========================


  [08.01] SEX+HARTREE (e-e correlation)
  =====================================

  [RD./coll//ndb.COLLISIONS_HXC_header]-------------------------------------------
   Brillouin Zone Q/K grids (IBZ/BZ)                :   324   324   324   324
   RL vectors                                       :  17373 [WF]
   COLLISIONS name                                  : HARTREE+SEX
   Total number of COLLISIONS                       :  29484
   COLLISIONS kind                                  :  1327
   Bands                                            :   32   44
   Bands mixing                                     :  100.0000
   CV only scattering                               : no
   Collisions Cutoff                                :  0.000000
   Hartree  RL vectors                              :  1207
   Exchange RL vectors                              :  1207
  - S/N 004282 ---------------------------------------------- v.05.03.00 r.23927 -

  [WARNING] Restarting from previous database

 [09] Timing Overview
 ====================

 Clock: global
              COLLISIONS_eval :      0.0000s CPU
      IO_and_Messaging_switch :      0.0000s CPU (    4 calls,   0.006 msec avg)
             io_ATMPROJ_pwscf :      0.0001s CPU
                 io_KB_abinit :      0.0002s CPU
             io_RT_components :      0.0003s CPU (    2 calls,   0.126 msec avg)
               io_Double_Grid :      0.0003s CPU (    2 calls,   0.134 msec avg)
                        io_HF :      0.0013s CPU
                  io_KB_pwscf :      0.0253s CPU
                        io_WF :      0.0401s CPU
                     io_QINDX :      0.0459s CPU (    2 calls,  22.933 msec avg)
                      io_GROT :      0.1082s CPU (    3 calls,  36.057 msec avg)
                   io_DIPOLES :      0.1148s CPU (    2 calls,  57.379 msec avg)
                  io_Overlaps :      0.1828s CPU
                      Dipoles :      0.1907s CPU
                   io_COL_CUT :      0.2433s CPU (    3 calls,  81.093 msec avg)
                io_COLLISIONS :      0.6256s CPU (29489 calls,   0.021 msec avg)
                  io_fragment :     16.3542s CPU (  325 calls,   0.050 sec avg)
                         io_X :     23.0725s CPU (  330 calls,   0.070 sec avg)

 [10] Memory Overview
 ====================

 Memory Usage: global (Only MASTER cpu here). [O] stands for group 'O'
 Memory treshold are: 51.20000 [Mb] (basic treshold)  512.0000 [Mb] (SAVEs treshold)


 Not deallocated components:

                             RIM_qpg :  104.3100 [Mb] Host ([04] Coloumb potential Random Integration (RIM))

         Max memory used   :  223.3600 [Mb]

 [11] Game Over & Game summary
 =============================

 07/17/2026 at 01:31 yambo_rt @ fn3.lthpc.com [start]
 07/17/2026 at 01:32                          [end]

 Timing   [Min/Max/Average]: 26s/26s/26s
             [Time-Profile]: 26s

 .-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  coll_files/collision.in
 | rim_cut                          # [R] Coulomb potential
 | dipoles                          # [R] Oscillator strenghts (or dipoles)
 | collisions                       # [R] Collisions
 | em1s                             # [R][Xs] Statically Screened Interaction
 | #DegFix                        # Force the code to impose the energy levels to respect their degeneracy
 | FFTGvecs= 17373            RL    # [FFT] Plane-waves
 | DIP_Threads= 1                   # [OPENMP/X] Number of threads for dipoles
 | X_Threads=0                      # [OPENMP/X] Number of threads for response functions
 | RT_Threads= 1                    # [OPENMP/RT] Number of threads for real-time
 | RandQpts= 3000000                # [RIM] Number of random q-points in the BZ
 | RandGvec= 203              RL    # [RIM] Coulomb interaction RS components
 | CUTGeo= "slab z"                 # [CUT] Coulomb Cutoff geometry: box/cylinder/sphere/ws/slab X/Y/Z/XY..
 | % CUTBox
 |  0.000000 | 0.000000 | 0.000000 |        # [CUT] [au] Box sides
 | %
 | CUTRadius= 0.000000              # [CUT] [au] Sphere/Cylinder radius
 | CUTCylLen= 0.000000              # [CUT] [au] Cylinder length
 | CUTwsGvec= 0.700000              # [CUT] WS cutoff: number of G to be modified
 | Chimod= "HARTREE"                # [X] IP/Hartree/ALDA/LRC/PF/BSfxc
 | DipComputed= "S R V [covarian] P [G-space]" # [DIP] [default R P V; extra P2 Spin Orb]
 | % BndsRnXs
 |    1 | 150 |                         # [Xs] Polarization function bands
 | %
 | NGsBlkXs= 14               Ry    # [Xs] Response block size
 | % LongDrXs
 |  0.707107E-5 | 0.707107E-5 |  0.00000    # [Xs] [cc] Electric Field
 | %
 | % COLLBands
 |   32 |  44 |                         # [COLL] Bands for the collisions
 | %
 | HXC_Potential= "SEX+HARTREE"     # [SC] SC HXC Potential
 | HARRLvcs=  6020            mHa   # [HA] Hartree     RL components
 | EXXRLvcs=  6020            mHa   # [XX] Exchange    RL components
 | CORRLvcs=  6020            mHa   # [GW] Correlation RL components
