                                                                          
    $$\                                                                   
    $$ |                                                                  
    $$ |     $$\   $$\ $$$$$$\$$$$\   $$$$$$\  $$$$$$$\                   
    $$ |     $$ |  $$ |$$  _$$  _$$\ $$  __$$\ $$  __$$\                  
    $$ |     $$ |  $$ |$$ / $$ / $$ |$$$$$$$$ |$$ |  $$ |                 
    $$ |     $$ |  $$ |$$ | $$ | $$ |$$   ____|$$ |  $$ |                 
    $$$$$$$$\\$$$$$$  |$$ | $$ | $$ |\$$$$$$$\ $$ |  $$ |                 
    \________|\______/ \__| \__| \__| \_______|\__|  \__|                 
                                                                          
                      Fork Lumen 2.1.0                                    
                          Branch is                                       
           MPI+OpenMP+SLK+SLEPC+HDF5_MPI_IO Build                         
                  http://www.lumen-code.org                               
 
 09/16/2026 at 16:11 yambo_nl @ cn6.lthpc.com

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

 Cores-Threads       : 256(CPU)-1(threads)
 MPI Cores           :  256
 Threads per core    :  1
 Threads total       :  256
 Nodes Computing     :  2
 Nodes IO            :  1

 Fragmented WFs      : yes
 CORE databases      : .
 Additional I/O      : .
 Communications      : shg-ipa_files
 Input file          : shg-ipa_files/shg-ipa.in
 Report file         : shg-ipa_files/r-shg-ipa_rim_cut_nloptics
 Verbose log/report  : no
 Log files           : shg-ipa_files/LOG

 Job   string        : shg-ipa

 Precision           : DOUBLE
  
 [RD./SAVE//ns.db1]--------------------------------------------------------------
  Bands                                            :  200
  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
  Non symmorphic symmetries                        : no
 - S/N 001643 ---------------------------------------------- v.05.04.00 r.27499 -

 [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
  ==================

  Group table correct   : yes
  Inversion symmetry    : no
  Spatial inversion     : no
  K-space Time-reversal : no
  Magnetic symmetries   : no
  Symmorphyc symmetries : yes
   
  [RD./SAVE//ndb.full_SYMMs]------------------------------------------------------
   Lattice constants                                :   7.22794   6.25958  39.72153
   Old number of symmetries                         :  2
   Old time-reversal symmetry                       : 0
   Old number of kpt in the ibz                     :  171
   Old number of bands                              :  200

  Full 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
   
  Reduced 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

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

  nG shells         :   5292
  nG charge         :  112833
  nG WFs            :  17367  14071
  nC WFs           :  14173

  G-vecs. in first (and last) 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
  ...
   110985  111009  111033  111057  111093  111117  111141  111153  111165
   111189  111213  111237  111249  111261  111273  111285  111309  111321
   111345  111381  111405  111429  111453  111489  111501  111525  111549
   111573  111621  111645  111669  111681  111705  111729  111753  111765
   111789  111813  111837  111897  111909  111921  111945  111969  111993
   112017  112041  112065  112089  112101  112125  112149  112161  112185
   112209  112233  112257  112281  112305  112329  112341  112365  112389
   112425  112449  112461  112509  112533  112545  112593  112605  112629
   112653  112677  112701  112725  112749  112761  112785  112809  112833

  E charge         :  119.9954  [Ha]
  E WFs            :  29.99885  [Ha]

  Shell energy in first (and last) 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   
  ...
    118664.      118686.      118725.      118744.      118757.      118783.      118785.      118794.      118806.   
    118820.      118824.      118858.      118867.      118874.      118885.      118886.      118915.      118953.   
    118961.      118967.      118981.      118985.      119005.      119093.      119096.      119104.      119108.   
    119113.      119128.      119190.      119217.      119223.      119236.      119239.      119248.      119263.   
    119280.      119298.      119325.      119378.      119395.      119405.      119408.      119419.      119435.   
    119438.      119445.      119448.      119457.      119472.      119483.      119489.      119492.      119508.   
    119549.      119596.      119597.      119620.      119680.      119708.      119727.      119740.      119767.   
    119771.      119827.      119832.      119841.      119846.      119857.      119860.      119865.      119866.   
    119866.      119881.      119921.      119939.      119960.      119968.      119975.      119976.      119995.   

  [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 -0.055556  0.000000 [rlu]
  K_min[ 2 ] :  0.55556E-01 -0.10408E-16   0.0000     [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                                   : -2.329927 [eV]

  [X] === Gaps and Widths ===
  [X] Conduction Band Min                           :  1.377813 [eV]
  [X] Valence Band Max                              :  0.000000 [eV]
  [X] Filled Bands                                  :   37
  [X] Empty Bands                                   :   38  200
  [X] Direct Gap                                    :  1.922375 [eV]
  [X] Direct Gap localized at k                     :   48
  [X] Indirect Gap                                  :  1.377813 [eV]
  [X] Indirect Gap between kpts                     :    1   35
  [X] Last valence band width                       :  1.335105 [eV]
  [X] 1st conduction band width                     :  1.405192 [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 minus_q
  Grids (int-vector)                               :  1  0  0  1
 - S/N 001643 ---------------------------------------------- v.05.04.00 r.27499 -

 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]: -0.055556  0.055556  0.000000
 Q [ 40]        [rlu]: -0.55556E-01  0.13878E-16   0.0000    
 Q [ 41]        [rlu]:  0.000000 -0.111111  0.000000
 Q [ 42]        [rlu]: -0.111111  0.111111  0.000000
 Q [ 43]        [rlu]: -0.11111      0.27756E-16   0.0000    
 Q [ 44]        [rlu]:  0.000000 -0.166667  0.000000
 Q [ 45]        [rlu]: -0.166667  0.166667  0.000000
 Q [ 46]        [rlu]: -0.16667      0.11102E-15   0.0000    
 Q [ 47]        [rlu]:  0.000000 -0.222222  0.000000
 Q [ 48]        [rlu]: -0.222222  0.222222  0.000000
 Q [ 49]        [rlu]: -0.22222      0.11102E-15   0.0000    
 Q [ 50]        [rlu]:  0.000000 -0.277778  0.000000

 Remaining 274 points informations can be written running with -fatlog


 [04] Dipoles
 ============


  [04.01] 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
  k-points (mappend, not mapped):   324     0
  Gamma centered grid
  Number of k-point in each direction:  18  18   1
   Smallest g0 vector in each direction: positive:  19  17   3
                                         negative:  14  16   2
  [WF-Overlaps loader] Normalization (few states)  min/max  :  0.86736E-18   1.0000    


  [WARNING] Covariant Dipoles not in 3d. Assuming non periodic system.
  Using forth order approximation for covariant dipoles

  [WARNING] Real space dipoles not calculate in non-linear or floquet dynamics
  [RD./SAVE//ns.kb_pp_pwscf]------------------------------------------------------
   Fragmentation                                    : yes
  - S/N 001643 ---------------------------------------------- v.05.03.00 r.23959 -
  [WR./shg-ipa//ndb.dipoles]------------------------------------------------------
   Brillouin Zone Q/K grids (IBZ/BZ)                :   324   324   324   324
   RL vectors                                       :  17367 [WF]
   Fragmentation                                    : yes
   Electronic Temperature                           :  0.000000 [K]
   Bosonic    Temperature                           :  0.000000 [K]
   DIP band range                                   :    1   44
   DIP band range limits                            :   44    1
   DIP e/h energy range                             : -1.000000 -1.000000 [eV]
   RL vectors in the sum                            :  17367
   [r,Vnl] included                                 : yes
   Bands ordered                                    : no
   Direct v evaluation                              : yes
   Approach used                                    : Covariant
   Dipoles computed                                 : S R [covariant] P V [G-space] R_z [X-space]
   Wavefunctions                                    : GAUPBE(XC)
  - S/N 001643 ---------------------------------------------- v.05.04.00 r.27499 -
  [WR./shg-ipa//ndb.Overlap]------------------------------------------------------
   Brillouin Zone Q/K grids (IBZ/BZ)                :   324   324   324   324
   RL vectors                                       :  17367 [WF]
   Fragmentation                                    : yes
   Electronic Temperature                           :  0.000000 [K]
   Bosonic    Temperature                           :  0.000000 [K]
   DIP nbands                                       :   44
   RL vectors in the sum                            :  17367
   Wavefunctions                                    : GAUPBE(XC)
  - S/N 001643 ---------------------------------------------- v.05.04.00 r.27499 -

 Timing [Min/Max/Average]: 01m-47s/01m-47s/01m-47s

 [05] NL Initialization
 ======================

 [NL] Non-linear optics configuration
 [NL] Loop on frequencies/angles of the first field

 [WARNING] Variable Field1_Freq is ignored
 Radiative life-time sets equal to the phase lifetime: 6.582119 fs
 Total simulation time       :  100.0000 [fs]
 Simulation time step        :  0.010000 [fs]
 Correlation in the reponse functions: IPA

  [05.01] Messaging
  =================

  ---General---
  Integrator                 : INVINT
  Simulation time            : 100.00000 [fs]
  Step length                :  0.010000 [fs]
  NE Steps                   :  10001
  Correlation                IPA
  Damping                    :  0.200000 [eV]
  Dephasing                  :  6.582119 [fs]
  Radiative LifeTime         :  6.582119 [fs]
  Efield                     SOFTSIN
  Efield width               :  0.000000 [fs]
  Efield frequency           :  0.100000 [eV]
  Efield Amplitude      [V/m]:  0.194095E+7
  Pond. Energy        [eV/mu]:  0.717667E-5
  Adiabatic param      [1/mu]:  0.717667E-4
  Efield T_0                 :  0.000000 [fs]
  Frequencies range          :  1.000000  2.000000
  Frequencies steps          :   50
  Frequency   step           :  0.020000
  Number of angles           : 0
  Use Dipoles                   : no
  Induced Field                 : no
  Force Snd Order Dipoles       : no
  Evaluate Current              : no
  Symmetrize current and pol    : yes
  Fast parallelization (vel-IPA): no
  [RD./shg-ipa//ndb.dipoles]------------------------------------------------------
   Brillouin Zone Q/K grids (IBZ/BZ)                :   324   324   324   324
   RL vectors                                       :  17367 [WF]
   Fragmentation                                    : yes
   Electronic Temperature                           :  0.000000 [K]
   Bosonic    Temperature                           :  0.000000 [K]
   DIP band range                                   :    1   44
   DIP band range limits                            :   44    1
   DIP e/h energy range                             : -1.000000 -1.000000 [eV]
   RL vectors in the sum                            :  17367
   [r,Vnl] included                                 : yes
   Bands ordered                                    : no
   Direct v evaluation                              : yes
   Approach used                                    : Covariant
   Dipoles computed                                 : S R [covariant] P V [G-space] R_z [X-space]
   Wavefunctions                                    : GAUPBE(XC)
  - S/N 001643 ---------------------------------------------- v.05.04.00 r.27499 -
  [RD./shg-ipa//ndb.Overlap]------------------------------------------------------
   Brillouin Zone Q/K grids (IBZ/BZ)                :   324   324   324   324
   RL vectors                                       :  17367 [WF]
   Fragmentation                                    : yes
   Electronic Temperature                           :  0.000000 [K]
   Bosonic    Temperature                           :  0.000000 [K]
   DIP nbands                                       :   44
   RL vectors in the sum                            :  17367
   Wavefunctions                                    : GAUPBE(XC)
  - S/N 001643 ---------------------------------------------- v.05.04.00 r.27499 -

 [06] NL Start and Restart
 =========================

  
  * * * Polarization * * *
 ==========================
  Volume     1797.15705189 bohr^3
  Direction 1
  Numer of k-points per string  18
  Numer of different strings    18
  Electronic Phase        0.33348662   mod(2)
  Ionic      Phase       -0.33333326   mod(1)
  Total      Phase        0.00015336   mod(1)
  Polarization        0.00110847  mod( 7.22794300) (e/Volume).bohr
  Polarization        0.00000062  mod( 0.00402188) e/bohr^2
  Polarization        0.00003529  mod( 0.23011068) C/m^2
  
  Direction 2
  Numer of k-points per string  18
  Numer of different strings    18
  Electronic Phase       -0.33336008   mod(2)
  Ionic      Phase        0.33333328   mod(1)
  Total      Phase       -0.00002680   mod(1)
  Polarization       -0.00019373  mod( 7.22794300) (e/Volume).bohr
  Polarization       -0.00000011  mod( 0.00402188) e/bohr^2
  Polarization       -0.00000617  mod( 0.23011068) C/m^2
  
  The total polarization has module 1
  
  
  * * * Non-linear dynamics parameters * * *
 ============================================
  Initial Polarization      :  0.002012 -0.001161  0.000000
  Initial <Dip_x/y/z>       : -0.20517E-20 -0.40961E-18   0.0000    
 [WR./shg-ipa//ndb.Nonlinear]----------------------------------------------------
  Brillouin Zone Q/K grids (IBZ/BZ)                :   324   324   324   324
  RL vectors                                       :  112833 [WF]
  Global Gauge                                     : length
  [RT] Time steps                                  :  10001
  [RT] Time step                                   :  0.010000 [fs]
  [NL] Damping                                     :  0.200000 [eV]
  [NL] Bands  range                                :   32   44
  [NL] Energy range                                :  1.000000  2.000000
  [NL] Number of freqs                             :   50
  Rotation axis                                    :  0.000000  0.000000  0.000000
  Initial versor (for rotation)                    :  0.000000  0.000000  0.000000
  [NL] Number of angles                            : 0
  [NL] Max rotation angle                          :  360.0000
  [NL] Force 2nd approx                            : no
  [NL] Use DIPOLES                                 : no
  [NL] Evaluate currrent and store on disk         : no
  [NL] Induced Field                               : no
  [NL] Number of G in HARTREE                      :  112833
  [NL] Number of G in EXCHANGE(DFT)                :  112833
  [NL] Number of G in LSEX                         : 0
  [NL] Radiative Life-Time                         :  272.1138
  [RT] Integrator                                  : INVINT
  [NL] Correlation                                 : IPA
  [FIELDs] Type                                    : SOFTSIN
  [FIELDs] Versor                                  :  1.000000  0.000000  0.000000
  [FIELDs] Intensity                               :   1000.00    [kWCMm2]
  [FIELDs] Damping                                 :  0.000000 [fs]
  [FIELDs] Frequency                               :  0.100000 [eV]
  [FIELDs] Initial time                            :  0.010000 [fs]
  [FIELDs] Type                                    : SOFTSIN
  [FIELDs] Versor                                  :  1.000000  0.000000  0.000000
  [FIELDs] Intensity                               :   1000.00    [kWCMm2]
  [FIELDs] Damping                                 :  0.000000 [fs]
  [FIELDs] Frequency                               :  1.020000 [eV]
  [FIELDs] Initial time                            :  0.010000 [fs]
 - S/N 001643 ---------------------------------------------- v.05.04.00 r.27499 -
  [FIELDs] Type                                    : SOFTSIN
  [FIELDs] Versor                                  :  1.000000  0.000000  0.000000
  [FIELDs] Intensity                               :   1000.00    [kWCMm2]
  [FIELDs] Damping                                 :  0.000000 [fs]
  [FIELDs] Frequency                               :  1.340000 [eV]
  [FIELDs] Initial time                            :  0.010000 [fs]
 - S/N 001643 ---------------------------------------------- v.05.04.00 r.27499 -
  [FIELDs] Type                                    : SOFTSIN
  [FIELDs] Versor                                  :  1.000000  0.000000  0.000000
  [FIELDs] Intensity                               :   1000.00    [kWCMm2]
  [FIELDs] Damping                                 :  0.000000 [fs]
  [FIELDs] Frequency                               :  1.660000 [eV]
  [FIELDs] Initial time                            :  0.010000 [fs]
 - S/N 001643 ---------------------------------------------- v.05.04.00 r.27499 -
  [FIELDs] Type                                    : SOFTSIN
  [FIELDs] Versor                                  :  1.000000  0.000000  0.000000
  [FIELDs] Intensity                               :   1000.00    [kWCMm2]
  [FIELDs] Damping                                 :  0.000000 [fs]
  [FIELDs] Frequency                               :  1.980000 [eV]
  [FIELDs] Initial time                            :  0.010000 [fs]
 - S/N 001643 ---------------------------------------------- v.05.04.00 r.27499 -

 Timing [Min/Max/Average]: 02h-58m/02h-58m/02h-58m

 [07] Timing Overview
 ====================

 Clock: global (MAX - min (if any spread is present) clocks)
                        io_WF :     39.0824s P193 (  439 calls,   0.089 sec avg) [MAX]     21.0456s P8 (  164 calls,   0.128 sec avg) [min]
                      io_GROT :      0.4535s P183 (    3 calls, 151.180 msec avg) [MAX]      0.3053s P39 (    3 calls, 101.775 msec avg) [min]
                     io_QINDX :      0.2748s P41 (    2 calls, 137.380 msec avg) [MAX]      0.1651s P5 (    2 calls,  82.540 msec avg) [min]
                   io_COL_CUT :      0.0655s P79 [MAX]      0.0001s P198 [min]
                        io_HF :      0.1072s P36 [MAX]      0.0002s P198 [min]
                   io_DIPOLES :      2.0414s P193 (  110 calls,   0.019 msec avg) [MAX]      0.3292s P43 (  109 calls,   3.020 msec avg) [min]
                  io_KB_pwscf :      6.7254s P1 (   83 calls,   0.081 msec avg) [MAX]      0.3707s P136 (    3 calls, 123.559 msec avg) [min]
                 io_KB_abinit :      0.0031s P163 [MAX]      0.0000s P127 [min]
                         io_X :      0.1845s P226 (    5 calls,  36.894 msec avg) [MAX]      0.0002s P101 (    5 calls,   0.044 msec avg) [min]
             io_ATMPROJ_pwscf :      0.0007s P170 [MAX]      0.0003s P153 [min]
               io_Double_Grid :      0.0846s P66 (    2 calls,  42.325 msec avg) [MAX]      0.0125s P97 (    2 calls,   6.254 msec avg) [min]
             io_RT_components :      0.1032s P117 (    2 calls,  51.601 msec avg) [MAX]      0.0254s P244 (    2 calls,  12.713 msec avg) [min]
                io_COLLISIONS :      0.1217s P146 (    3 calls,  40.563 msec avg) [MAX]      0.0029s P140 (    3 calls,   0.960 msec avg) [min]
                io_full_SYMMs :      0.1734s P106 [MAX]      0.1126s P217 [min]
                      Dipoles :    107.6429s P190 [MAX]    107.6428s P8 [min]
      IO_and_Messaging_switch :      0.0010s P247 (  171 calls,   0.006 msec avg) [MAX]      0.0000s P195 (    9 calls,   0.002 msec avg) [min]
                  io_Overlaps :      2.2289s P65 (  412 calls,   0.005 msec avg) [MAX]      0.6252s P251 (  412 calls,   1.518 msec avg) [min]
              DIPOLE_overlaps :     54.2192s P161 [MAX]     54.1459s P119 [min]
               eval_G_minus_G :      0.1615s P20 (    2 calls,  80.747 msec avg) [MAX]      0.1526s P167 (    2 calls,  76.317 msec avg) [min]
                 PP_uspp_init :      0.0156s P10 (   82 calls,   0.190 msec avg) [MAX]      0.0002s P139 [min]
                  WF_load_FFT :     39.9756s P202 (   82 calls,   0.488 sec avg) [MAX]     23.4646s P23 [min]
                  io_fragment :     31.6103s P129 (  379 calls,   0.083 sec avg) [MAX]     15.5200s P24 (  162 calls,   0.096 sec avg) [min]
             DIPOLE_covariant :      0.2309s P5 [MAX]      0.1582s P165 [min]
               DIPOLE_g_space :     48.0373s P188 [MAX]      0.3599s P195 [min]
          DIPOLE_g_space_proj :     38.8010s P187 (   81 calls,   0.479 sec avg) [MAX]     14.0979s P1 (   81 calls,   0.174 sec avg) [min]
             NL Berry Pol NEQ :      02h-40m P16 (40005 calls,   0.241 sec avg) [MAX]      01h-54m P60 (30004 calls,   0.228 sec avg) [min]
                        io_NL :      0.6645s P1 (    6 calls, 110.748 msec avg) [MAX]      0.0000s P178 (    3 calls,   0.001 msec avg) [min]
               NL Hamiltonian :    256.8670s P1 (80008 calls,   0.003 sec avg) [MAX]    180.1208s P37 (60006 calls,   0.003 sec avg) [min]
                  NL build_dG :     48.7062s P9 (40004 calls,   0.001 sec avg) [MAX]     33.1491s P33 (30003 calls,   0.001 sec avg) [min]
                NL Integrator :      13m-29s P30 (40004 calls,   0.020 sec avg) [MAX]    592.5187s P65 (30003 calls,   0.020 sec avg) [min]

 [08] 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:

                               DIP_S :  58.80600 [Mb] Host ([05.01] Messaging)

         Max memory used   :  4.038903 [Gb]

 [09] Game Over & Game summary
 =============================

 09/16/2026 at 16:11 yambo_nl @ cn6.lthpc.com [start]
 09/16/2026 at 19:12                          [end]

 Timing   [Min/Max/Average]: 03h-00m/03h-00m/03h-00m
             [Time-Profile]: 03h-00m

 .-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  shg-ipa_files/shg-ipa.in
 | rim_cut                          # [R] Coulomb potential
 | nloptics                         # [R] Non-linear spectroscopy
 | BoseTemp= 0.000000         eV    # Bosonic Temperature
 | NL_CPU= "16.16"                  # [PARALLEL] CPUs for each role
 | NL_ROLEs= "k.w"                  # [PARALLEL] CPUs roles (w,k)
 | DIP_CPU= "8.8.4"                 # [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
 | NL_Threads= 1                    # [OPENMP/NL] Number of threads for nl-optics
 | 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
 | CUTwsGvec= 0.700000              # [CUT] WS cutoff: number of G to be modified
 | % NLBands
 |   32 |  44 |                         # [NL] Bands range
 | %
 | NLverbosity= "high"              # [NL] Verbosity level (low | high)
 | NLtime= 100.0000           fs    # [NL] Simulation Time
 | NLintegrator= "INVINT"           # [NL] Integrator ("EULEREXP/RK2/RK4/RK2EXP/HEUN/INVINT/CRANKNIC")
 | NLCorrelation= "IPA"             # [NL] Correlation ("IPA/HARTREE/TDDFT/LRC/LRW/JGM/SEX/LSEX/LHF")
 | NLLrcAlpha= 0.000000             # [NL] Long Range Correction
 | % NLEnRange
 |  1.000000 | 2.000000 |         eV    # [NL] Energy range (for loop on frequencies NLEnSteps/=0
 | %
 | NLEnSteps=  50                   # [NL] Energy steps for the loop on frequencies
 | % NLrotaxis
 |  0.000000 | 0.000000 | 0.000000 |        # [NL] Rotation axis (for the loop on angles NLAngSteps/=0)
 | %
 | NLAngSteps=0                     # [NL] Angular steps (if NLAngSteps/=0 field versor will be ignored)
 | NLMaxAng= 360.0000               # [NL] Max angle in degree (default 360 degree)
 | NLDamping= 0.200000        eV    # [NL] Damping (or dephasing)
 | RADLifeTime= 6.582119      fs    # [RT] Radiative life-time (if negative RADLifeTime=Phase_LifeTime)
 | #EvalCurrent                   # [NL] Evaluate the current
 | HARRLvcs= 112833           RL    # [HA] Hartree     RL components
 | EXXRLvcs= 112833           RL    # [XX] Exchange    RL components
 | CORRLvcs=-1                RL    # [GW] Correlation RL components [if -1 uses all the G-vectors of W_{G,Gp}]
 | Field1_Freq= 1.980000      eV    # [RT Field1] Frequency
 | Field1_Int=  1000.00       kWLm2 # [RT Field1] Intensity
 | Field1_Width= 0.000000     fs    # [RT Field1] Width
 | Field1_FWHM= 0.000000      fs    # [RT Field1] Full Width at Half Maximum (overwrite width if set)
 | Field1_kind= "SOFTSIN"           # [RT Field1] Kind(SIN|COS|RES|ANTIRES|GAUSS|DELTA|QSSIN)
 | Field1_pol= "linear"             # [RT Field1] Pol(linear|circular)
 | % Field1_Dir
 |  1.000000 | 0.000000 | 0.000000 |        # [RT Field1] Versor
 | %
