                                                                          
    $$                                                                    
    $$ |                                                                  
    $$ |     $$   $$ $$$$$$$$$$   $$$$$$  $$$$$$$                         
    $$ |     $$ |  $$ |$$  _$$  _$$ $$  __$$ $$  __$$                     
    $$ |     $$ |  $$ |$$ / $$ / $$ |$$$$$$$$ |$$ |  $$ |                 
    $$ |     $$ |  $$ |$$ | $$ | $$ |$$   ____|$$ |  $$ |                 
    $$$$$$$$\$$$$$$  |$$ | $$ | $$ |$$$$$$$ $$ |  $$ |                    
    ________|______/ __| __| __| _______|__|  __|                         
                                                                          
                      Fork Lumen 2.1.0                                    
                          Branch is                                       
           MPI+OpenMP+SLK+SLEPC+HDF5_MPI_IO Build                         
                  http://www.lumen-code.org                               
 
 07/30/2026 at 16:27 yambo_rt @ fn7.lthpc.com

 [01] MPI/OPENMP structure, Files & I/O Directories
 ==================================================

 Cores-Threads       : 192(CPU)-1(threads)
 MPI Cores           :  192
 Threads per core    :  1
 Threads total       :  192
 Nodes Computing     :  2
 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_04
 Verbose log/report  : no
 Log files           : coll_files/LOG

 Job   string        : coll

 Precision           : DOUBLE
  
 [RD./SAVE//ns.db1]--------------------------------------------------------------
  Bands                                            :  250
  K-points                                         :  162
  G-vectors                                        :  188969 [RL space]
  Components                                       :  23638 [wavefunctions]
  Symmetries                                       :  2 [spatial]
  Spinor components                                :  2
  Spin polarizations                               :  1
  Temperature                                      :  0.000000 [eV]
  Electrons                                        :  74.00000
  WF G-vectors                                     :  28887
  Max atoms/species                                :  2
  No. of atom species                              :   4
  Exact exchange fraction in XC                    :  0.240000
  Exact exchange screening in XC                   :  0.150000
  Magnetic symmetries                              : no
 - S/N 004188 ---------------------------------------------- v.05.03.00 r.23959 -

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


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


  [WARNING] No crystal structure fits the given cell
  Cell kind             :  Unknown
  Atoms in the cell     :  Cr  Cr  S  I
  number of Cr atoms    :  1
  number of Cr atoms    :  1
  number of S  atoms    :  2
  number of I  atoms    :  2

  List of atomic masses
  Mass of Cr    :  51.99610
  Mass of Cr    :  51.99610
  Mass of S     :  32.06600
  Mass of I     :  126.9045

  List of atomic coordinates    : [cc]
  Cr1       :   3.54329   0.00000  21.19075  order 1
  Cr1       :   0.00000   4.54183  25.03951  order 2
  S1       :   3.54329   4.54183  22.05509  order 3
  S2       :   0.00000   0.00000  24.17516  order 4
  I1       :   0.00000   0.00000  17.40096  order 5
  I2       :   3.54329   4.54183  28.82929  order 6

  Alat factors          :   7.08659   9.08365  46.70002 [a.u.]
  Direct lattice volume :   3006.18    [a.u.]
  Direct lattice vectors:  A[ 1 ]  A[ 2 ]  A[ 3 ]
   A[ 1 ]:  1.000000  0.000000  0.000000  [iru]
   A[ 2 ]:  0.000000  1.000000  0.000000  [iru]
   A[ 3 ]:  0.000000  0.000000  1.000000  [iru]

  Recip. lattice volume :  0.082513 [a.u.]
  Recip. lattice vectors:  B[ 1 ]  B[ 2 ]  B[ 3 ]
   B[ 1 ]:  1.000000  0.000000  0.000000  [iku]
   B[ 2 ]:  0.000000  1.000000  0.000000  [iku]
   B[ 3 ]:  0.000000  0.000000  1.000000  [iku]
   

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

  Group table correct   : yes
  Inversion symmetry    : no
  Spatial inversion     : no
  K-space Time-reversal : no
  Magnetic symmetries   : no
  Symmorphyc symmetries : yes
   

  Symmetries list
  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

  [WARNING] Detecting no SOC point group
   
  Point group is        : C_s (m)
   
  Number of classes        :  2
  Number of real classes   :  2
  Symmetries per class     :  1  1
  Name of classes          : E s
  Syms indexes in class E    :  1
  Syms indexes in class s    :  2
   
  Number of rapresentations:  2
   
    Character table
  Irrep/Syms     :     E     s
  A'             :  1.00  1.00
  A''            :  1.00 -1.00
   

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

  nG shells         :  24986
  nG charge         :  188969
  nG WFs            :  28887  23597
  nC WFs           :  23638

  G-vecs. in first (and last) 80 shells:  [ Number ]
    1   3   5   7   9  11  13  17  21
    25   27   31   33   37   41   43   47   51
    55   59   61   65   69   77   85   89   97
   101  103  111  115  119  127  129  131  139
   143  147  151  155  159  167  169  173  177
   181  185  193  197  201  203  207  211  219
   227  235  239  247  251  259  261  265  273
   277  279  287  291  295  299  307  311  315
    319   327   331   333   341   345   349   357
  ...
   188309  188317  188333  188341  188357  188365  188373  188381  188389
   188397  188405  188413  188421  188425  188433  188437  188441  188449
   188457  188465  188473  188481  188489  188497  188505  188513  188521
   188529  188545  188553  188561  188565  188573  188581  188589  188597
   188605  188613  188621  188629  188637  188645  188653  188661  188669
   188677  188685  188693  188701  188709  188717  188725  188741  188749
   188757  188765  188773  188781  188797  188805  188809  188813  188817
   188825  188833  188841  188849  188857  188865  188873  188881  188889
   188905  188913  188921  188929  188937  188941  188949  188957  188969

  E charge         :  119.9999  [Ha]
  E WFs            :  29.99258  [Ha]

  Shell energy in first (and last) 80 shells:  [ mHa ]
     0.0000    9.0510   36.2039   81.4588  144.8157  226.2745  239.2262  248.2772  275.4301
   320.6850  325.8353  384.0419  393.0569  402.1078  429.2608  443.4980  465.5007  474.5157
   537.8725  565.0615  579.2627  619.3314  632.2831  641.3340  668.4870  682.7242  713.7419
   718.8921  733.1294  777.0987  818.4889  836.5549  858.5576  905.0980  956.9048  958.1183
    965.956      972.320      972.356      993.109      1038.36      1075.78      1095.17      1101.72      1126.19   
    1144.32      1183.18      1211.55      1282.74      1298.15      1303.34      1334.39      1349.96      1359.01   
    1365.41      1386.17      1400.40      1431.42      1488.23      1494.78      1529.62      1536.17      1537.38   
    1542.57      1572.23      1576.24      1581.28      1608.43      1653.69      1675.80      1690.03      1696.40   
    1717.04      1727.45      1768.84      1773.99      1793.46      1798.50      1811.45      1820.50   
  ...
    119730.      119731.      119738.      119738.      119741.      119742.      119747.      119752.      119754.   
    119756.      119758.      119764.      119766.      119774.      119775.      119777.      119780.      119785.   
    119789.      119790.      119793.      119794.      119799.      119800.      119804.      119804.      119809.   
    119810.      119811.      119817.      119822.      119824.      119833.      119842.      119843.      119845.   
    119846.      119847.      119848.      119849.      119872.      119873.      119875.      119879.      119889.   
    119890.      119894.      119899.      119900.      119902.      119903.      119908.      119909.      119913.   
    119918.      119919.      119925.      119925.      119928.      119934.      119938.      119944.      119944.   
    119949.      119949.      119951.      119957.      119958.      119959.      119960.      119964.      119970.   
    119972.      119973.      119973.      119975.      119977.      119980.      119997.      119998.      120000.   

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

  Compatible Grid is   : 2D
  Base K vectors       :  K_min[ 1 ]  K_min[ 2 ]  K_min[ 3 ]
  K_min[ 1 ] :  0.000000  0.062500  0.000000 [rlu]
  K_min[ 2 ] : -0.055556  0.000000  0.000000 [rlu]
  Grid dimensions      :  16  18
  K lattice UC volume  :  0.286505E-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                                   :  0.16612E+24 [cm-3]
  [X] Fermi Level                                   : -2.165755 [eV]

  [X] === Gaps and Widths ===
  [X] Conduction Band Min                           :  1.061576 [eV]
  [X] Valence Band Max                              :  0.000000 [eV]
  [X] Filled Bands                                  :   74
  [X] Empty Bands                                   :   75  250
  [X] Direct Gap                                    :  1.129818 [eV]
  [X] Direct Gap localized at k                     :  1
  [X] Indirect Gap                                  :  1.061576 [eV]
  [X] Indirect Gap between kpts                     :    1   82
  [X] Last valence band width                       :  1.170370 [eV]
  [X] 1st conduction band width                     :  1.280875 [eV]
   
   

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

 [RD./SAVE//ndb.kindx]-----------------------------------------------------------
  Fragmentation                                    : no
  Polarization last K ( bz)                        :  288
  Polarization last K (ibz)                        :  162
  QP states                                        :    1  162
  X grid is uniform                                : yes
  Grids (string)                                   :  X S minus_q
  Grids (int-vector)                               :  1  0  0  1
 - S/N 004188 ---------------------------------------------- v.05.04.00 r.27400 -

 IBZ Q-points                                      :  162
 BZ  Q-points                                      :  288

 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  0.062500  0.000000
 Q [  3]        [rlu]:  0.000000  0.125000  0.000000
 Q [  4]        [rlu]:  0.000000  0.187500  0.000000
 Q [  5]        [rlu]:  0.000000  0.250000  0.000000
 Q [  6]        [rlu]:  0.000000  0.312500  0.000000
 Q [  7]        [rlu]:  0.000000  0.375000  0.000000
 Q [  8]        [rlu]:  0.000000  0.437500  0.000000
 Q [  9]        [rlu]:  0.000000 -0.500000  0.000000
 Q [ 10]        [rlu]:  0.055556  0.000000  0.000000
 Q [ 11]        [rlu]:  0.055556  0.062500  0.000000
 Q [ 12]        [rlu]:  0.055556  0.125000  0.000000
 Q [ 13]        [rlu]:  0.055556  0.187500  0.000000
 Q [ 14]        [rlu]:  0.055556  0.250000  0.000000
 Q [ 15]        [rlu]:  0.055556  0.312500  0.000000
 Q [ 16]        [rlu]:  0.055556  0.375000  0.000000
 Q [ 17]        [rlu]:  0.055556  0.437500  0.000000
 Q [ 18]        [rlu]:  0.055556 -0.500000  0.000000
 Q [ 19]        [rlu]:  0.111111  0.000000  0.000000
 Q [ 20]        [rlu]:  0.111111  0.062500  0.000000
 Q [ 21]        [rlu]:  0.111111  0.125000  0.000000
 Q [ 22]        [rlu]:  0.111111  0.187500  0.000000
 Q [ 23]        [rlu]:  0.111111  0.250000  0.000000
 Q [ 24]        [rlu]:  0.111111  0.312500  0.000000
 Q [ 25]        [rlu]:  0.111111  0.375000  0.000000
 Q [ 26]        [rlu]:  0.111111  0.437500  0.000000
 Q [ 27]        [rlu]:  0.111111 -0.500000  0.000000
 Q [ 28]        [rlu]:  0.166667  0.000000  0.000000
 Q [ 29]        [rlu]:  0.166667  0.062500  0.000000
 Q [ 30]        [rlu]:  0.166667  0.125000  0.000000
 Q [ 31]        [rlu]:  0.166667  0.187500  0.000000
 Q [ 32]        [rlu]:  0.166667  0.250000  0.000000
 Q [ 33]        [rlu]:  0.166667  0.312500  0.000000
 Q [ 34]        [rlu]:  0.166667  0.375000  0.000000
 Q [ 35]        [rlu]:  0.166667  0.437500  0.000000
 Q [ 36]        [rlu]:  0.166667 -0.500000  0.000000
 Q [ 37]        [rlu]:  0.222222  0.000000  0.000000
 Q [ 38]        [rlu]:  0.222222  0.062500  0.000000
 Q [ 39]        [rlu]:  0.222222  0.125000  0.000000
 Q [ 40]        [rlu]:  0.222222  0.187500  0.000000
 Q [ 41]        [rlu]:  0.222222  0.250000  0.000000
 Q [ 42]        [rlu]:  0.222222  0.312500  0.000000
 Q [ 43]        [rlu]:  0.222222  0.375000  0.000000
 Q [ 44]        [rlu]:  0.222222  0.437500  0.000000
 Q [ 45]        [rlu]:  0.222222 -0.500000  0.000000
 Q [ 46]        [rlu]:  0.277778  0.000000  0.000000
 Q [ 47]        [rlu]:  0.277778  0.062500  0.000000
 Q [ 48]        [rlu]:  0.277778  0.125000  0.000000
 Q [ 49]        [rlu]:  0.277778  0.187500  0.000000
 Q [ 50]        [rlu]:  0.277778  0.250000  0.000000

 Remaining 112 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)                :  162  288  162  288
  *WRN* Coulomb cutoff potential                   : none
  Coulombian RL components                         :  201
  Coulombian diagonal components                   : yes
  RIM random points                                :  3000000
  RIM  RL volume             [a.u.]                :  0.082507
  Real RL volume             [a.u.]                :  0.082513
  Eps^-1 reference component                       : 0
  Eps^-1 components                                :  0.000000  0.000000  0.000000
  RIM anysotropy factor                            :  0.000000
 - S/N 004188 ---------------------------------------------- v.05.04.00 r.27400 -

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

 Q [1] 0.100000E-4 0.859515 * Q [2] 0.043231 0.663685
 Q [91] 0.049257 0.742962 * Q [10] 0.049257 0.742957
 Q [11] 0.065538 0.825057 * Q [92] 0.065538 0.825126
 Q [3] 0.086463 0.884272 * Q [100] 0.098515 0.928272
 Q [19] 0.098515 0.928236 * Q [12] 0.099509 0.921475
 Q [93] 0.099509 0.921506 * Q [101] 0.107583 0.943367
 Q [20] 0.107583 0.943330 * Q [4] 0.129694 0.962679
 Q [21] 0.131076 0.969731 * Q [102] 0.131076 0.969761
 Q [13] 0.138733 0.972245 * Q [94] 0.138733 0.972260
 Q [109] 0.147772 0.984858 * Q [28] 0.147772 0.984828
 Q [110] 0.153966 0.987772 * Q [29] 0.153966 0.987743
 Q [103] 0.162867 0.988458 * Q [22] 0.162867 0.988438
 Q [30] 0.171208 0.993679 * Q [111] 0.171208 0.993704
 Q [5] 0.172926 0.989856 * Q [14] 0.179804 0.992498
 Q [95] 0.179804 0.992506 * Q [31] 0.196614 0.998674
 Q [112] 0.196614 0.998694 * Q [37] 0.197029 1.000446
 Q [118] 0.197029 1.000470 * Q [23] 0.199019 0.997616
 Q [104] 0.199019 0.997630 * Q [119] 0.201716 1.000958
 Q [38] 0.201716 1.000935 * Q [39] 0.215166 1.001933
 Q [120] 0.215166 1.001953 * Q [6] 0.216157 0.998827
 Q [96] 0.221698 0.999586 * Q [15] 0.221698 0.999581
 Q [113] 0.227464 1.001425 * Q [32] 0.227464 1.001410
 Q [40] 0.235883 1.002748 * Q [121] 0.235883 1.002766
 Q [105] 0.237548 1.001159 * Q [24] 0.237548 1.001149
 Q [46] 0.246286 1.003881 * Q [127] 0.246286 1.003901
 Q [47] 0.250052 1.003895 * Q [128] 0.250052 1.003914
 Q [7] 0.259388 1.001470 * Q [48] 0.261022 1.003849
 Q [129] 0.261022 1.003866 * Q [114] 0.261840 1.002424
 Q [33] 0.261840 1.002413 * Q [122] 0.262152 1.003078
 Q [41] 0.262152 1.003063 * Q [16] 0.264024 1.001684
 Q [97] 0.264024 1.001688 * Q [106] 0.277466 1.002149
 Q [25] 0.277466 1.002143 * Q [49] 0.278348 1.003671
 Q [130] 0.278348 1.003687 * Q [123] 0.292480 1.002965
 Q [42] 0.292480 1.002953 * Q [55] 0.295544 1.003989
 Q [136] 0.295544 1.004006 * Q [115] 0.298528 1.002519
 Q [34] 0.298528 1.002510 * Q [56] 0.298689 1.003933
 Q [137] 0.298689 1.003949 * Q [50] 0.300932 1.003350
 Q [131] 0.300932 1.003363 * Q [8] 0.302620 1.002003
 Q [98] 0.306602 1.002062 * Q [17] 0.306602 1.002059
 Q [57] 0.307931 1.003740 * Q [138] 0.307931 1.003755
 Q [26] 0.318251 1.002177 * Q [107] 0.318251 1.002182
 Q [58] 0.322748 1.003434 * Q [139] 0.322748 1.003448
 Q [124] 0.325734 1.002629 * Q [43] 0.325734 1.002620
 Q [132] 0.327690 1.002949 * Q [51] 0.327690 1.002937
 Q [116] 0.336772 1.002260 * Q [35] 0.336772 1.002253
 Q [59] 0.342417 1.003056 * Q [140] 0.342417 1.003069
 Q [145] 0.344801 1.003380 * Q [64] 0.344801 1.003366
 Q [9] 0.345851 1.001720 * Q [146] 0.347500 1.003331
 Q [65] 0.347500 1.003317 * Q [99] 0.349341 1.001737
 Q [18] 0.349341 1.001734 * Q [66] 0.355476 1.003155
 Q [147] 0.355476 1.003169 * Q [52] 0.357686 1.002503
 Q [133] 0.357686 1.002513 * Q [108] 0.359608 1.001766
 Q [27] 0.359608 1.001762 * Q [125] 0.361108 1.002233
 Q [44] 0.361108 1.002225 * Q [141] 0.366155 1.002663
 Q [60] 0.366155 1.002652 * Q [148] 0.368386 1.002920
 Q [67] 0.368386 1.002908 * Q [117] 0.376098 1.001772
 Q [36] 0.376098 1.001766 * Q [149] 0.385734 1.002619
 Q [68] 0.385734 1.002608 * Q [53] 0.390174 1.002098
 Q [134] 0.390174 1.002106 * Q [61] 0.393228 1.002262
 Q [142] 0.393228 1.002272 * Q [154] 0.394058 1.002725
 Q [73] 0.394058 1.002712 * Q [155] 0.396422 1.002690
 Q [74] 0.396422 1.002678 * Q [126] 0.398037 1.001730
 Q [45] 0.398037 1.001724 * Q [75] 0.403432 1.002566
 Q [156] 0.403432 1.002577 * Q [150] 0.406954 1.002301
 Q [69] 0.406954 1.002291 * Q [157] 0.414852 1.002402
 Q [76] 0.414852 1.002391 * Q [62] 0.422995 1.001910
 Q [143] 0.422995 1.001919 * Q [54] 0.424582 1.001633
 Q [135] 0.424582 1.001640 * Q [158] 0.430331 1.002186
 Q [77] 0.430331 1.002176 * Q [151] 0.431474 1.001992
 Q [70] 0.431474 1.001983 * Q [82] 0.443315 1.002188
 Q [83] 0.445418 1.002166 * Q [159] 0.449450 1.001953
 Q [78] 0.449450 1.001944 * Q [84] 0.451668 1.002090
 Q [63] 0.454928 1.001508 * Q [144] 0.454928 1.001515
 Q [152] 0.458766 1.001709 * Q [71] 0.458766 1.001701
 Q [85] 0.461897 1.001970 * Q [160] 0.471767 1.001722
 Q [79] 0.471767 1.001713 * Q [86] 0.475848 1.001819
 Q [153] 0.488365 1.001375 * Q [72] 0.488365 1.001367
 Q [87] 0.493206 1.001652 * Q [161] 0.496851 1.001504
 Q [80] 0.496851 1.001496 * Q [88] 0.513625 1.001481
 Q [162] 0.524304 1.001232 * Q [81] 0.524304 1.001225
 Q [89] 0.536756 1.001316 * Q [90] 0.562265 1.001097
 Non-periodic chartesian directions : none
 Optical renormalization            :  46.70002 [au]
 Polarizability dimension           : length


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

 [RD./coll//ndb.cutoff]----------------------------------------------------------
  Brillouin Zone Q/K grids (IBZ/BZ)                :  162  288  162  288
  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                                    :  28887
  RL components used in the sum                    :  188969
  RIM corrections included                         : no
  RIM RL components                                : 0
  RIM random points                                : 0
 - S/N 004188 ---------------------------------------------- v.05.04.00 r.27400 -

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


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

   System with reduced dimensionality
   Smallest q vectors (crystal coordinates) :
        0.055556      0.062500      0.000000
   Smallest g0 vector in each direction: positive:   33   13    3
                                         negative:   32   12    2
   Lenght of G vectors in each direction:     0.88663053    0.69170253    0.13454353
  k-points (mappend, not mapped):  288    0
  Gamma centered grid
  Number of k-point in each direction:  18  16   1
  [RD./coll//ndb.dipoles]---------------------------------------------------------
   Brillouin Zone Q/K grids (IBZ/BZ)                :  162  288  162  288
   RL vectors                                       :  28887 [WF]
   Fragmentation                                    : yes
   Electronic Temperature                           :  0.000000 [K]
   Bosonic    Temperature                           :  0.000000 [K]
   DIP band range                                   :    1  240
   DIP band range limits                            :   74   75
   DIP e/h energy range                             : -1.000000 -1.000000 [eV]
   RL vectors in the sum                            :  28887
   [r,Vnl] included                                 : yes
   Bands ordered                                    : yes
   Direct v evaluation                              : no
   Approach used                                    : Covariant
   *WRN*Dipoles computed                            : S R V [covariant] P [G-space] R_z V_z [X-space]
   Wavefunctions                                    : GAUPBE(XC)
  - S/N 004188 ---------------------------------------------- v.05.04.00 r.27400 -
  [RD./coll//ndb.Overlap]---------------------------------------------------------
   Brillouin Zone Q/K grids (IBZ/BZ)                :  162  288  162  288
   RL vectors                                       :  28887 [WF]
   Fragmentation                                    : yes
   Electronic Temperature                           :  0.000000 [K]
   Bosonic    Temperature                           :  0.000000 [K]
   DIP nbands                                       :  240
   RL vectors in the sum                            :  28887
   Wavefunctions                                    : GAUPBE(XC)
  - S/N 004188 ---------------------------------------------- v.05.04.00 r.27400 -
  [RD./coll//ndb.Overlap]---------------------------------------------------------
   Brillouin Zone Q/K grids (IBZ/BZ)                :  162  288  162  288
   RL vectors                                       :  28887 [WF]
   Fragmentation                                    : yes
   Electronic Temperature                           :  0.000000 [K]
   Bosonic    Temperature                           :  0.000000 [K]
   DIP nbands                                       :  240
   RL vectors in the sum                            :  28887
   Wavefunctions                                    : GAUPBE(XC)
  - S/N 004188 ---------------------------------------------- v.05.04.00 r.27400 -

 Timing [Min/Max/Average]: 08s/08s/08s

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

 [RD./coll//ndb.em1s]------------------------------------------------------------
  Brillouin Zone Q/K grids (IBZ/BZ)                :  162  288  162  288
  RL vectors                                       :  28887 [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                                    :  2673
  X band range                                     :    1  240
  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                            :  28887
  [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 004188 ---------------------------------------------- v.05.04.00 r.27400 -
 [RD./coll//ndb.em1s_fragment_1]-------------------------------------------------
  Current Q-pt index                               :  1
  X energy range                                   :  0.000000  0.000000 eV
  X damping range                                  :  0.100000E-2  0.100000E-2 eV
  Number of frequencies                            :  1
 - S/N 004188 ---------------------------------------------- v.05.04.00 r.27400 -
 [RD./coll//ndb.em1s_fragment_2]-------------------------------------------------
  Current Q-pt index                               :  2
  X energy range                                   :  0.000000  0.000000 eV
  X damping range                                  :  0.100000E-2  0.100000E-2 eV
  Number of frequencies                            :  1
 - S/N 004188 ---------------------------------------------- v.05.04.00 r.27400 -

 Timing [Min/Max/Average]: 01m-28s/01m-28s/01m-28s

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


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

  [RD./coll//ndb.em1s]------------------------------------------------------------
   Brillouin Zone Q/K grids (IBZ/BZ)                :  162  288  162  288
   RL vectors                                       :  28887 [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                                    :  2673
   X band range                                     :    1  240
   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                            :  28887
   [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
  [RD./coll//ndb.em1s_fragment_1]-------------------------------------------------
   Current Q-pt index                               :  1
   X energy range                                   :  0.000000  0.000000 eV
   X damping range                                  :  0.100000E-2  0.100000E-2 eV
   Number of frequencies                            :  1
  - S/N 004188 ---------------------------------------------- v.05.04.00 r.27400 -
  [WF-SEX+HARTREE Collisions loader] Normalization (few states)  min/max  :  0.44329E-16   1.0000    

  [WR./coll//ndb.COLLISIONS_HXC_header]-------------------------------------------
   Brillouin Zone Q/K grids (IBZ/BZ)                :  162  288  162  288
   RL vectors                                       :  28887 [WF]
   COLLISIONS name                                  : HARTREE+SEX
   Total number of COLLISIONS                       :   34020
   COLLISIONS kind                                  :  1327
   COLLISIONS Bands                                 :   65   84
   Bands mixing                                     :  100.0000
   CV only scattering                               : no
   Hartree  RL vectors                              :  2095
   Exchange RL vectors                              :  2095
   Correlation RL vectors                           :  2095

 Timing [Min/Max/Average]: 07d-18h-43m/07d-18h-43m/07d-18h-43m

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

 Clock: global (MAX - min (if any spread is present) clocks)
                            io_WF :     32.1263s P146 (   120 calls,   0.268 sec avg) [MAX]     26.0973s P90 (   129 calls,   0.202 sec avg) [min]
                          io_GROT :      0.9834s P151 (     3 calls, 327.806 msec avg) [MAX]      0.6680s P40 (     3 calls, 222.682 msec avg) [min]
                         io_QINDX :      0.6996s P68 (     2 calls, 349.824 msec avg) [MAX]      0.4009s P37 (     2 calls, 200.433 msec avg) [min]
                       io_COL_CUT :      1.1385s P166 (     3 calls,   0.379 msec avg) [MAX]      0.7090s P89 (     3 calls, 236.345 msec avg) [min]
                            io_HF :      0.0025s P70 [MAX]      0.0005s P86 [min]
                       io_DIPOLES :      0.7194s P137 (     2 calls, 359.719 msec avg) [MAX]      0.4290s P86 (     2 calls, 214.499 msec avg) [min]
                      io_KB_pwscf :      0.3229s P86 [MAX]      0.0719s P68 [min]
                     io_KB_abinit :      0.0004s P86 [MAX]      0.0000s P68 [min]
                             io_X :      08h-40m P12 (299061 calls,   0.104 sec avg) [MAX]      01h-02m P39 ( 49986 calls,   0.075 sec avg) [min]
                      io_fragment :      02h-09m P60 (299184 calls,   0.026 sec avg) [MAX]      20m-52s P39 ( 50096 calls,   0.025 sec avg) [min]
                 io_ATMPROJ_pwscf :      0.0002s P71 [MAX]      0.0000s P37 [min]
                   io_Double_Grid :      0.0084s P180 (     2 calls,   4.214 msec avg) [MAX]      0.0009s P179 (     2 calls,   0.433 msec avg) [min]
                 io_RT_components :      0.0030s P176 (     2 calls,   1.509 msec avg) [MAX]      0.0009s P78 (     2 calls,   0.444 msec avg) [min]
                    io_COLLISIONS :      03h-45m P133 (   606 calls,  22.290 msec avg) [MAX]      0.0049s P192 (   606 calls,   0.008 msec avg) [min]
                    io_full_SYMMs :      0.0088s P134 [MAX]      0.0011s P19 [min]
                          Dipoles :      8.4310s P153 [MAX]      8.4310s P84 [min]
          IO_and_Messaging_switch :      5.4387s P49 (597784 calls,   0.000 msec avg) [MAX]      0.8511s P141 ( 97204 calls,   0.009 msec avg) [min]
                      io_Overlaps :      8.0615s P80 (   292 calls,   0.028 sec avg) [MAX]      7.7424s P158 (   292 calls,   0.027 sec avg) [min]
                  COLLISIONS_eval :  07d-18h-43m P37 [MAX]  07d-18h-43m P166 [min]
           SEX+HARTREE Collisions :  07d-18h-43m P133 [MAX]  07d-18h-43m P50 [min]
                        FFT_setup :      0.0857s P111 [MAX]      0.0562s P36 [min]
                     PP_uspp_init :      0.0002s P187 [MAX]      0.0000s P90 [min]
                      WF_load_FFT :     39.0458s P124 [MAX]     32.2609s P52 [min]
                     scatter_Gamp :      04h-14m P10 (601470 calls,   0.025 sec avg) [MAX]      42m-15s P133 ( 97800 calls,   0.026 sec avg) [min]
      COLLISIONS_linearize_and_IO :  06d-05h-25m P133 (   600 calls, 896.578 sec avg) [MAX]      5.4438s P60 (  3690 calls,   0.001 sec avg) [min]

 [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)


 MAX allocations:

                               DIP_S :  1.555200 [Gb] Host ([06.01] Setup: observables and procedures)
                           WF%r [%r] :  122.9960 [Mb] Host ([08.01] SEX+HARTREE (e-e correlation))

         Max memory used   :  5.053832 [Gb]

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

 07/30/2026 at 16:27 yambo_rt @ fn7.lthpc.com [start]
 08/07/2026 at 11:12                          [end]

 Timing   [Min/Max/Average]: 07d-18h-44m/07d-18h-44m/07d-18h-44m
             [Time-Profile]: 07d-18h-44m

 .-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
 | DIP_CPU= "12.4.4"                # [PARALLEL] CPUs for each role
 | DIP_ROLEs= "v.c.k"               # [PARALLEL] CPUs roles (k,c,v)
 | DIP_Threads= 1                   # [OPENMP/X] Number of threads for dipoles
 | RT_CPU= "4.4.6.2"                # [PARALLEL] CPUs for each role
 | RT_ROLEs= "k.b.qp.q"             # [PARALLEL] CPUs roles (k,b,q,qp)
 | RT_Threads= 1                    # [OPENMP/RT] Number of threads for real-time
 | RandQpts= 3000000                # [RIM] Number of random q-points in the BZ
 | RandGvec= 201              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
 | 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 [covariant] P [G-space]" # [DIP] [default R P V; extra P2 Spin Orb]
 | % BndsRnXs
 |    1 | 240 |                         # [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
 |   65 |  84 |                         # [COLL] Bands for the collisions
 | %
 | HXC_Potential= "SEX+HARTREE"     # [SC] SC HXC Potential
 | HARRLvcs=  6016            mHa   # [HA] Hartree     RL components
 | EXXRLvcs=  6016            mHa   # [XX] Exchange    RL components
 | CORRLvcs=  6016            mHa   # [GW] Correlation RL components [if -1 uses all the G-vectors of W_{G,Gp}]
