                                                                          
    $$\                                                                   
    $$ |                                                                  
    $$ |     $$\   $$\ $$$$$$\$$$$\   $$$$$$\  $$$$$$$\                   
    $$ |     $$ |  $$ |$$  _$$  _$$\ $$  __$$\ $$  __$$\                  
    $$ |     $$ |  $$ |$$ / $$ / $$ |$$$$$$$$ |$$ |  $$ |                 
    $$ |     $$ |  $$ |$$ | $$ | $$ |$$   ____|$$ |  $$ |                 
    $$$$$$$$\\$$$$$$  |$$ | $$ | $$ |\$$$$$$$\ $$ |  $$ |                 
    \________|\______/ \__| \__| \__| \_______|\__|  \__|                 
                                                                          
                      Fork Lumen 2.1.0                                    
                          Branch is                                       
           MPI+OpenMP+SLK+SLEPC+HDF5_MPI_IO Build                         
                  http://www.lumen-code.org                               
 
 09/15/2026 at 21:41 yambo_nl @ cn9.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.27400 -

 [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.27400 -

 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 -

  [WARNING] [x,Vnl] slows the Dipoles computation. To neglect it rename the ns.kb_pp file
  [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.27400 -
  [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.27400 -

 Timing [Min/Max/Average]: 01m-52s/01m-52s/01m-52s

 [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.27400 -
  [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.27400 -

 [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               NaN   mod(2)
  Ionic      Phase       -0.33333326   mod(1)
  Total      Phase               NaN   mod(1)
  Polarization               NaN  mod( 7.22794300) (e/Volume).bohr
  Polarization               NaN  mod( 0.00402188) e/bohr^2
  Polarization               NaN  mod( 0.23011068) C/m^2
  
  Direction 2
  Numer of k-points per string  18
  Numer of different strings    18
  Electronic Phase               NaN   mod(2)
  Ionic      Phase        0.33333328   mod(1)
  Total      Phase               NaN   mod(1)
  Polarization               NaN  mod( 7.22794300) (e/Volume).bohr
  Polarization               NaN  mod( 0.00402188) e/bohr^2
  Polarization               NaN  mod( 0.23011068) C/m^2
  
  The total polarization has module 1
  
  
  * * * Non-linear dynamics parameters * * *
 ============================================
  Initial Polarization      :          NaN          NaN          NaN
  Initial <Dip_x/y/z>       :          NaN          NaN          NaN
 [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.27400 -
  [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.27400 -
  [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.27400 -
  [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.27400 -

 Timing [Min/Max/Average]: 02h-51m/02h-51m/02h-51m

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

 Clock: global (MAX - min (if any spread is present) clocks)
                        io_WF :     42.9131s P138 (  459 calls,   0.093 sec avg) [MAX]     24.1932s P13 (  164 calls,   0.148 sec avg) [min]
                      io_GROT :      0.4402s P246 (    3 calls, 146.718 msec avg) [MAX]      0.2830s P256 (    3 calls,  94.341 msec avg) [min]
                     io_QINDX :      0.5727s P65 (    2 calls, 286.326 msec avg) [MAX]      0.3554s P142 (    2 calls, 177.676 msec avg) [min]
                   io_COL_CUT :      0.0809s P129 [MAX]      0.0066s P168 [min]
                        io_HF :      0.1043s P246 [MAX]      0.0283s P234 [min]
                   io_DIPOLES :      2.8710s P193 (  110 calls,   0.026 msec avg) [MAX]      0.3899s P156 (  109 calls,   3.577 msec avg) [min]
                  io_KB_pwscf :     12.2044s P65 (   84 calls,   0.145 msec avg) [MAX]      0.6302s P148 (    3 calls, 210.054 msec avg) [min]
                 io_KB_abinit :      0.0003s P206 [MAX]      0.0000s P232 [min]
                         io_X :      0.0135s P101 (    5 calls,   2.695 msec avg) [MAX]      0.0004s P140 (    5 calls,   0.081 msec avg) [min]
             io_ATMPROJ_pwscf :      0.0007s P131 [MAX]      0.0003s P66 [min]
               io_Double_Grid :      0.0772s P215 (    2 calls,  38.584 msec avg) [MAX]      0.0154s P217 (    2 calls,   7.717 msec avg) [min]
             io_RT_components :      0.0982s P19 (    2 calls,  49.092 msec avg) [MAX]      0.0256s P133 (    2 calls,  12.811 msec avg) [min]
                io_COLLISIONS :      0.1122s P68 (    3 calls,  37.399 msec avg) [MAX]      0.0126s P19 (    3 calls,   4.193 msec avg) [min]
                io_full_SYMMs :      0.2155s P225 [MAX]      0.1348s P13 [min]
                      Dipoles :    112.7740s P180 [MAX]    112.7736s P130 [min]
      IO_and_Messaging_switch :      0.0010s P247 (  171 calls,   0.006 msec avg) [MAX]      0.0000s P40 (    9 calls,   0.002 msec avg) [min]
                  io_Overlaps :      2.1533s P65 (  412 calls,   0.005 msec avg) [MAX]      0.6542s P86 (  412 calls,   1.588 msec avg) [min]
              DIPOLE_overlaps :     58.5851s P145 [MAX]     58.4908s P201 [min]
               eval_G_minus_G :      0.1674s P227 (    2 calls,  83.696 msec avg) [MAX]      0.1534s P231 (    2 calls,  76.715 msec avg) [min]
                 PP_uspp_init :      0.0212s P83 (   82 calls,   0.258 msec avg) [MAX]      0.0005s P222 [min]
                  WF_load_FFT :     44.2610s P138 (   82 calls,   0.540 sec avg) [MAX]     26.6566s P39 [min]
                  io_fragment :     40.5911s P193 (  359 calls,   0.113 sec avg) [MAX]     17.6880s P2 (  162 calls,   0.109 sec avg) [min]
             DIPOLE_covariant :      0.5253s P137 [MAX]      0.3910s P142 [min]
               DIPOLE_g_space :     48.0861s P58 [MAX]      0.4514s P160 [min]
          DIPOLE_g_space_proj :     38.9975s P58 (   81 calls,   0.481 sec avg) [MAX]     14.8090s P65 (   81 calls,   0.183 sec avg) [min]
             NL Berry Pol NEQ :      02h-33m P21 (40005 calls,   0.230 sec avg) [MAX]      01h-54m P50 (30004 calls,   0.229 sec avg) [min]
                        io_NL :      0.4194s P113 (    3 calls, 139.798 msec avg) [MAX]      0.0000s P169 (    3 calls,   0.001 msec avg) [min]
               NL Hamiltonian :    256.7323s P18 (80008 calls,   0.003 sec avg) [MAX]    179.7259s P188 (60006 calls,   0.003 sec avg) [min]
                  NL build_dG :     47.5957s P12 (40004 calls,   0.001 sec avg) [MAX]     32.9373s P177 (30003 calls,   0.001 sec avg) [min]
                NL Integrator :      13m-35s P13 (40004 calls,   0.020 sec avg) [MAX]    596.0045s P145 (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
 =============================

 09/15/2026 at 21:41 yambo_nl @ cn9.lthpc.com [start]
 09/16/2026 at 00:34                          [end]

 Timing   [Min/Max/Average]: 02h-53m/02h-53m/02h-53m
             [Time-Profile]: 02h-53m

 .-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
 | %
