
  ___ ___ ___ _ _ _  
 |   |   |_  | | | | 
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 |__ |  _|___|_____|  22.1.0
 |___|_|             

User:   lacmarco@node422.cluster
Date:   Wed Mar 22 19:00:38 2023
Arch:   x86_64
Pid:    29192
Python: 3.10.4
gpaw:   /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/gpaw
_gpaw:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/
        _gpaw.cpython-310-x86_64-linux-gnu.so
ase:    /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/ase (version 3.22.1)
numpy:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/numpy (version 1.23.1)
scipy:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/scipy (version 1.9.0)
libxc:  5.2.3
units:  Angstrom and eV
cores: 16
OpenMP: True
OMP_NUM_THREADS: 1

Input parameters:
  kpts: [4 4 1]
  mode: {ecut: 400.0,
         name: pw}
  xc: RPBE

System changes: positions, numbers, cell, pbc, initial_charges, initial_magmoms 

Initialize ...

Pd-setup:
  name: Palladium
  id: 6da19bfba079f22767af9506641940b9
  Z: 46.0
  valence: 16
  core: 30
  charge: 0.0
  file: /groups/kemi/lacmarco/miniconda3/envs/gpaw22/share/gpaw/Pd.RPBE.gz
  compensation charges: gauss, rc=0.38, lmax=2
  cutoffs: 2.38(filt), 2.28(core),
  valence states:
                energy  radius
    5s(0.00)    -3.225   1.228
    4p(6.00)   -51.131   1.360
    5p(0.00)    -0.373   1.360
    4d(10.00)    -3.964   1.228
    *s          23.987   1.228
    *d          23.247   1.228

  Using partial waves for Pd as LCAO basis

Au-setup:
  name: Gold
  id: f729301af73151f9133db6f6e28f92a1
  Z: 79.0
  valence: 11
  core: 68
  charge: 0.0
  file: /groups/kemi/lacmarco/miniconda3/envs/gpaw22/share/gpaw/Au.RPBE.gz
  compensation charges: gauss, rc=0.42, lmax=2
  cutoffs: 2.33(filt), 2.81(core),
  valence states:
                energy  radius
    6s(1.00)    -5.611   1.323
    6p(0.00)    -0.793   1.323
    5d(10.00)    -6.824   1.323
    *s          21.600   1.323
    *p          26.419   1.323
    *d          20.388   1.323

  Using partial waves for Au as LCAO basis

Reference energy: -10243855.690308

Spin-paired calculation

Convergence criteria:
 Maximum [total energy] change in last 3 cyles: 0.0005 eV / electron
 Maximum integral of absolute [dens]ity change: 0.0001 electrons / valence electron
 Maximum integral of absolute [eigenst]ate change: 4e-08 eV^2 / valence electron
 Maximum number of scf [iter]ations: 333
 (Square brackets indicate name in SCF output, whereas a 'c' in
 the SCF output indicates the quantity has converged.)

Symmetries present (total): 1

  ( 1  0  0)
  ( 0  1  0)
  ( 0  0  1)

16 k-points: 4 x 4 x 1 Monkhorst-Pack grid
8 k-points in the irreducible part of the Brillouin zone
       k-points in crystal coordinates                weights
   0:     0.12500000   -0.37500000    0.00000000          2/16
   1:     0.12500000   -0.12500000    0.00000000          2/16
   2:     0.12500000    0.12500000    0.00000000          2/16
   3:     0.12500000    0.37500000    0.00000000          2/16
   4:     0.37500000   -0.37500000    0.00000000          2/16
   5:     0.37500000   -0.12500000    0.00000000          2/16
   6:     0.37500000    0.12500000    0.00000000          2/16
   7:     0.37500000    0.37500000    0.00000000          2/16

Wave functions: Plane wave expansion
  Cutoff energy: 400.000 eV
  Number of coefficients (min, max): 41564, 41666
  Pulay-stress correction: 0.000000 eV/Ang^3 (de/decut=0.000000)
  Using FFTW library
  ScaLapack parameters: grid=1x1, blocksize=None
  Wavefunction extrapolation:
    Improved wavefunction reuse through dual PAW basis 

Occupation numbers: Fermi-Dirac: width=0.1000 eV
 

Eigensolver
   Davidson(niter=2) 

Densities:
  Coarse grid: 42*54*135 grid
  Fine grid: 84*108*270 grid
  Total Charge: 0.000000 

Density mixing:
  Method: separate
  Backend: pulay
  Linear mixing parameter: 0.05
  Mixing with 5 old densities
  Damping of long wave oscillations: 50 

Hamiltonian:
  XC and Coulomb potentials evaluated on a 84*108*270 grid
  Using the RPBE Exchange-Correlation functional
  External potential:
    NoExternalPotential
 

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 223.67 MiB
  Calculator: 681.03 MiB
    Density: 69.76 MiB
      Arrays: 30.38 MiB
      Localized functions: 27.61 MiB
      Mixer: 11.77 MiB
    Hamiltonian: 20.54 MiB
      Arrays: 19.86 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.67 MiB
    Wavefunctions: 590.73 MiB
      Arrays psit_nG: 270.84 MiB
      Eigensolver: 301.72 MiB
      Projections: 2.75 MiB
      Projectors: 3.34 MiB
      PW-descriptor: 12.08 MiB

Total number of cores used: 16
Parallelization over k-points: 8
Domain decomposition: 1 x 1 x 2

Number of atoms: 47
Number of atomic orbitals: 534
Number of bands in calculation: 426
Number of valence electrons: 702
Bands to converge: occupied

... initialized

Initializing position-dependent things.

Density initialized from atomic densities
Creating initial wave functions:
  426 bands from LCAO basis set

                                                  
                                                  
                                                  
                                                  
                                                  
                         Pd    Pd                 
                                        Pd        
                   Pd             Au              
             Pd     Pd      Pd     Pd             
              Pd      Pd     Pd                   
        Au             Pd             Pd          
                PPd            PAu                
          Pd             Pd             Au        
                   Au     Au      Pd              
             Pd     Pd      Pd     Au             
              Pd      Au     Pd                   
        Pd             Au             Pd          
                PPd    Pd       Au                
          Pd                                      
                          Pd                      
                    Pd                            
                                                  
                                                  
                                                  
                                                  

Positions:
   0 Pd     6.280886    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pd     8.076072    2.198645   10.000000    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.588107    4.030849   10.819387    ( 0.0000,  0.0000,  0.0000)
   3 Pd     1.792921    1.832204   10.819387    ( 0.0000,  0.0000,  0.0000)
   4 Au     6.280886    3.664408   11.638773    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.485700    1.465763   11.638773    ( 0.0000,  0.0000,  0.0000)
   6 Pd     8.973665    3.297968   12.458160    ( 0.0000,  0.0000,  0.0000)
   7 Pd     7.178479    1.099323   12.458160    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.690514    2.931527   13.277546    ( 0.0000,  0.0000,  0.0000)
   9 Pd     0.895327    0.732882   13.277546    ( 0.0000,  0.0000,  0.0000)
  10 Pd     5.383293    2.565086   14.096933    ( 0.0000,  0.0000,  0.0000)
  11 Pd     3.588107    0.366441   14.096933    ( 0.0000,  0.0000,  0.0000)
  12 Au     8.076072    2.198645   14.916320    ( 0.0000,  0.0000,  0.0000)
  13 Pd     6.280886    0.000000   14.916320    ( 0.0000,  0.0000,  0.0000)
  14 Pd     1.792921    1.832204   15.735706    ( 0.0000,  0.0000,  0.0000)
  15 Pd     3.588107    4.030849   15.735706    ( 0.0000,  0.0000,  0.0000)
  16 Pd     4.485700    1.465763   16.555093    ( 0.0000,  0.0000,  0.0000)
  17 Pd     6.280886    3.664408   16.555093    ( 0.0000,  0.0000,  0.0000)
  18 Pd     7.178479    1.099323   17.374480    ( 0.0000,  0.0000,  0.0000)
  19 Pd     8.973665    3.297968   17.374480    ( 0.0000,  0.0000,  0.0000)
  20 Au     0.895327    0.732882   18.193866    ( 0.0000,  0.0000,  0.0000)
  21 Pd     2.690514    2.931527   18.193866    ( 0.0000,  0.0000,  0.0000)
  22 Pd     3.588107    0.366441   19.013253    ( 0.0000,  0.0000,  0.0000)
  23 Pd     5.383293    2.565086   19.013253    ( 0.0000,  0.0000,  0.0000)
  24 Au     9.871258    4.397290   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pd    11.666444    6.595935   10.000000    ( 0.0000,  0.0000,  0.0000)
  26 Pd     7.178479    8.428139   10.819387    ( 0.0000,  0.0000,  0.0000)
  27 Au     5.383293    6.229494   10.819387    ( 0.0000,  0.0000,  0.0000)
  28 Pd     9.871258    8.061698   11.638773    ( 0.0000,  0.0000,  0.0000)
  29 Pd     8.076072    5.863053   11.638773    ( 0.0000,  0.0000,  0.0000)
  30 Au    12.564037    7.695258   12.458160    ( 0.0000,  0.0000,  0.0000)
  31 Au    10.768851    5.496613   12.458160    ( 0.0000,  0.0000,  0.0000)
  32 Pd     6.280886    7.328817   13.277546    ( 0.0000,  0.0000,  0.0000)
  33 Au     4.485700    5.130172   13.277546    ( 0.0000,  0.0000,  0.0000)
  34 Pd     8.973665    6.962376   14.096933    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.178479    4.763731   14.096933    ( 0.0000,  0.0000,  0.0000)
  36 Pd    11.666444    6.595935   14.916320    ( 0.0000,  0.0000,  0.0000)
  37 Au     9.871258    4.397290   14.916320    ( 0.0000,  0.0000,  0.0000)
  38 Pd     5.383293    6.229494   15.735706    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.178479    8.428139   15.735706    ( 0.0000,  0.0000,  0.0000)
  40 Pd     8.076072    5.863053   16.555093    ( 0.0000,  0.0000,  0.0000)
  41 Au     9.871258    8.061698   16.555093    ( 0.0000,  0.0000,  0.0000)
  42 Pd    10.768851    5.496613   17.374480    ( 0.0000,  0.0000,  0.0000)
  43 Pd    12.564037    7.695258   17.374480    ( 0.0000,  0.0000,  0.0000)
  44 Pd     4.485700    5.130172   18.193866    ( 0.0000,  0.0000,  0.0000)
  45 Pd     6.280886    7.328817   18.193866    ( 0.0000,  0.0000,  0.0000)
  46 Pd     8.973665    6.962376   19.013253    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.975931    0.000000    0.000000    42     0.1655
  2. axis:    yes    7.180745    8.794580    0.000000    54     0.1629
  3. axis:    no     0.000000    0.000000   29.013253   135     0.2149

  Lengths:   8.975931  11.353754  29.013253
  Angles:   90.000000  90.000000  50.768480

Effective grid spacing dv^(1/3) = 0.1956

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 19:04:30  -172.960736
iter:   2 19:06:00  -162.649152  -1.31  -1.21
iter:   3 19:07:29  -172.021699  -1.47  -1.26
iter:   4 19:08:59  -157.027859  -1.36  -1.23
iter:   5 19:10:29  -145.729324  -0.65  -1.33
iter:   6 19:11:59  -140.014583  -1.63  -1.70
iter:   7 19:13:29  -136.266204  -2.07  -1.80
iter:   8 19:14:59  -134.558841  -2.08  -1.85
iter:   9 19:16:29  -134.365727  -2.22  -1.98
iter:  10 19:17:57  -134.685479c -2.59  -2.10
iter:  11 19:19:27  -134.134910  -3.11  -2.14
iter:  12 19:20:57  -133.855325  -3.16  -2.20
iter:  13 19:22:26  -133.736595  -2.99  -2.32
iter:  14 19:23:56  -133.637133c -3.24  -2.50
iter:  15 19:25:28  -133.606986c -3.81  -2.57
iter:  16 19:26:59  -133.680882c -3.82  -2.70
iter:  17 19:28:29  -133.613327c -4.04  -2.59
iter:  18 19:29:58  -133.579771c -4.15  -2.75
iter:  19 19:31:32  -133.580370c -4.19  -3.00
iter:  20 19:33:04  -133.577611c -4.95  -3.09
iter:  21 19:34:35  -133.578632c -4.85  -3.15
iter:  22 19:36:07  -133.576442c -4.84  -3.21
iter:  23 19:37:39  -133.585602c -5.04  -3.40
iter:  24 19:39:10  -133.575737c -5.41  -3.21
iter:  25 19:40:41  -133.575551c -5.89  -3.67
iter:  26 19:42:12  -133.575186c -5.68  -3.76
iter:  27 19:43:43  -133.575246c -6.63  -3.90
iter:  28 19:45:15  -133.575105c -6.47  -3.92
iter:  29 19:46:46  -133.575376c -6.34  -3.97
iter:  30 19:48:18  -133.575016c -6.59  -4.01c
iter:  31 19:49:49  -133.575251c -7.08  -4.00c
iter:  32 19:51:21  -133.575191c -7.37  -4.14c
iter:  33 19:52:51  -133.575281c -6.86  -4.22c
iter:  34 19:54:23  -133.575236c -7.01  -4.44c
iter:  35 19:55:54  -133.575281c -7.79c -4.52c

Converged after 35 iterations.

Dipole moment: (-156.524114, 0.879837, 0.112057) |e|*Ang

Energy contributions relative to reference atoms: (reference = -10243855.690308)

Kinetic:       -221.518330
Potential:      +25.946166
External:        +0.000000
XC:             +66.659570
Entropy (-ST):   -2.573088
Local:           -3.376143
--------------------------
Free energy:   -134.861824
Extrapolated:  -133.575281

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   349     -0.44576    1.50445
  0   350     -0.40705    1.34674
  0   351     -0.39640    1.29903
  0   352     -0.36538    1.15218

  1   349     -0.38881    1.26409
  1   350     -0.36240    1.13758
  1   351     -0.34142    1.03358
  1   352     -0.33089    0.98094


Fermi level: -0.33471

No gap

Forces in eV/Ang:
  0 Pd    0.08535    0.07122    0.27752
  1 Pd    0.07508   -0.20523    0.32359
  2 Pd   -0.01820   -0.24360   -0.18050
  3 Pd    0.04202   -0.16857    0.17921
  4 Au    0.13716   -0.28108   -0.71681
  5 Pd   -0.18976    0.03658   -0.27191
  6 Pd   -0.09044   -0.19535   -0.16957
  7 Pd    0.04943   -0.01505   -0.15863
  8 Pd    0.09613   -0.42362   -0.03052
  9 Pd    0.14089   -0.14093   -0.09155
 10 Pd   -0.16086   -0.22244    0.19542
 11 Pd   -0.05185    0.17735    0.07420
 12 Au   -0.16104   -0.16009   -0.01037
 13 Pd   -0.02857   -0.01667    0.07929
 14 Pd    0.20009    0.08527   -0.16901
 15 Pd    0.11659   -0.04126    0.22803
 16 Pd    0.19230    0.11426    0.11456
 17 Pd   -0.00129    0.11915    0.37136
 18 Pd   -0.17155    0.01745    0.30253
 19 Pd    0.00980    0.08298    0.25171
 20 Au   -0.25145    0.18210    0.53739
 21 Pd    0.14517    0.09736   -0.06611
 22 Pd    0.11416    0.13419   -0.32298
 23 Pd   -0.26600   -0.11254   -0.63793
 24 Au   -0.01751   -0.09168   -0.24310
 25 Pd   -0.01758    0.04095    0.06654
 26 Pd    0.06985    0.16376    0.12129
 27 Au    0.26690    0.08448   -0.78689
 28 Pd   -0.26818    0.25551   -0.28349
 29 Pd   -0.04792    0.23089   -0.24361
 30 Au   -0.15575    0.60711   -0.03325
 31 Au   -0.29965    0.11004   -0.15614
 32 Pd    0.38635    0.16439    0.24793
 33 Au    0.10403   -0.27435    0.51718
 34 Pd   -0.23120    0.19694   -0.06873
 35 Pd   -0.01625    0.20826    0.27135
 36 Pd    0.09210    0.12481    0.25059
 37 Au    0.02757    0.05512    0.20503
 38 Pd    0.06863    0.05435    0.22428
 39 Pd   -0.25102   -0.20047   -0.16628
 40 Pd   -0.22560   -0.16270    0.34458
 41 Au    0.21616   -0.18453   -0.01085
 42 Pd    0.07079   -0.14846    0.39290
 43 Pd    0.26444   -0.07824    0.27391
 44 Pd    0.01719   -0.00470   -0.33378
 45 Pd   -0.08674   -0.12065   -0.27024
 46 Pd    0.01786    0.07947   -0.43040

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                                   
                                                   
                                                   
                                                   
                                                   
                         Pd     Pd                 
                                         Pd        
                    Pd             Au              
              Pd    Pd      PPd    Pd              
              Pd      Pd     Pd                    
        Au             PPd            Pd           
                 Pd      Pd     Au                 
           Pd             Pd             Au        
                    Au    Au       Pd              
              Pd    PPd     PPd    Au              
              Pd       Au    Pd                    
        Pd             Au             Pd           
                 Pd     Pd      Au                 
           Pd                                      
                           Pd                      
                     Pd                            
                                                   
                                                   
                                                   
                                                   

Positions:
   0 Pd     6.289421    0.007122   10.027752    ( 0.0000,  0.0000,  0.0000)
   1 Pd     8.083580    2.178122   10.032359    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.586287    4.006489   10.801336    ( 0.0000,  0.0000,  0.0000)
   3 Pd     1.797123    1.815347   10.837308    ( 0.0000,  0.0000,  0.0000)
   4 Au     6.294602    3.636301   11.567092    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.466724    1.469422   11.611582    ( 0.0000,  0.0000,  0.0000)
   6 Pd     8.964621    3.278433   12.441203    ( 0.0000,  0.0000,  0.0000)
   7 Pd     7.183422    1.097818   12.442297    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.700127    2.889165   13.274494    ( 0.0000,  0.0000,  0.0000)
   9 Pd     0.909417    0.718788   13.268391    ( 0.0000,  0.0000,  0.0000)
  10 Pd     5.367207    2.542842   14.116475    ( 0.0000,  0.0000,  0.0000)
  11 Pd     3.582922    0.384176   14.104353    ( 0.0000,  0.0000,  0.0000)
  12 Au     8.059968    2.182636   14.915283    ( 0.0000,  0.0000,  0.0000)
  13 Pd     6.278029   -0.001667   14.924249    ( 0.0000,  0.0000,  0.0000)
  14 Pd     1.812930    1.840731   15.718806    ( 0.0000,  0.0000,  0.0000)
  15 Pd     3.599766    4.026723   15.758509    ( 0.0000,  0.0000,  0.0000)
  16 Pd     4.504930    1.477189   16.566549    ( 0.0000,  0.0000,  0.0000)
  17 Pd     6.280757    3.676323   16.592229    ( 0.0000,  0.0000,  0.0000)
  18 Pd     7.161324    1.101068   17.404733    ( 0.0000,  0.0000,  0.0000)
  19 Pd     8.974645    3.306266   17.399651    ( 0.0000,  0.0000,  0.0000)
  20 Au     0.870182    0.751091   18.247605    ( 0.0000,  0.0000,  0.0000)
  21 Pd     2.705030    2.941263   18.187255    ( 0.0000,  0.0000,  0.0000)
  22 Pd     3.599523    0.379860   18.980954    ( 0.0000,  0.0000,  0.0000)
  23 Pd     5.356693    2.553832   18.949460    ( 0.0000,  0.0000,  0.0000)
  24 Au     9.869507    4.388122    9.975690    ( 0.0000,  0.0000,  0.0000)
  25 Pd    11.664686    6.600030   10.006654    ( 0.0000,  0.0000,  0.0000)
  26 Pd     7.185464    8.444515   10.831515    ( 0.0000,  0.0000,  0.0000)
  27 Au     5.409983    6.237942   10.740697    ( 0.0000,  0.0000,  0.0000)
  28 Pd     9.844441    8.087250   11.610425    ( 0.0000,  0.0000,  0.0000)
  29 Pd     8.071280    5.886142   11.614412    ( 0.0000,  0.0000,  0.0000)
  30 Au    12.548462    7.755969   12.454835    ( 0.0000,  0.0000,  0.0000)
  31 Au    10.738886    5.507616   12.442546    ( 0.0000,  0.0000,  0.0000)
  32 Pd     6.319521    7.345256   13.302339    ( 0.0000,  0.0000,  0.0000)
  33 Au     4.496103    5.102737   13.329265    ( 0.0000,  0.0000,  0.0000)
  34 Pd     8.950546    6.982070   14.090061    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.176854    4.784556   14.124068    ( 0.0000,  0.0000,  0.0000)
  36 Pd    11.675654    6.608416   14.941379    ( 0.0000,  0.0000,  0.0000)
  37 Au     9.874016    4.402802   14.936823    ( 0.0000,  0.0000,  0.0000)
  38 Pd     5.390155    6.234930   15.758135    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.153376    8.408092   15.719078    ( 0.0000,  0.0000,  0.0000)
  40 Pd     8.053512    5.846784   16.589551    ( 0.0000,  0.0000,  0.0000)
  41 Au     9.892874    8.043246   16.554008    ( 0.0000,  0.0000,  0.0000)
  42 Pd    10.775931    5.481767   17.413770    ( 0.0000,  0.0000,  0.0000)
  43 Pd    12.590481    7.687434   17.401871    ( 0.0000,  0.0000,  0.0000)
  44 Pd     4.487418    5.129702   18.160488    ( 0.0000,  0.0000,  0.0000)
  45 Pd     6.272212    7.316752   18.166842    ( 0.0000,  0.0000,  0.0000)
  46 Pd     8.975451    6.970322   18.970213    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.975931    0.000000    0.000000    42     0.1655
  2. axis:    yes    7.180745    8.794580    0.000000    54     0.1629
  3. axis:    no     0.000000    0.000000   29.013253   135     0.2149

  Lengths:   8.975931  11.353754  29.013253
  Angles:   90.000000  90.000000  50.768480

Effective grid spacing dv^(1/3) = 0.1956

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 19:58:07  -146.899932  -1.27
iter:   2 19:59:39  -200.027116  -0.95  -1.70
iter:   3 20:01:10  -140.620817  -1.58  -1.35
iter:   4 20:02:42  -135.393030  -2.03  -1.94
iter:   5 20:04:14  -134.560300  -2.77  -2.23
iter:   6 20:05:48  -134.222093  -2.78  -2.37
iter:   7 20:07:22  -134.360625c -3.05  -2.45
iter:   8 20:08:55  -134.039593c -3.75  -2.39
iter:   9 20:10:27  -134.012516c -3.73  -2.70
iter:  10 20:11:59  -133.997013c -3.81  -2.78
iter:  11 20:13:31  -133.994790c -4.36  -2.95
iter:  12 20:15:03  -133.989889c -4.72  -3.02
iter:  13 20:16:37  -133.994692c -4.88  -3.07
iter:  14 20:18:09  -133.987118c -4.48  -3.11
iter:  15 20:19:41  -133.987285c -4.96  -3.34
iter:  16 20:21:13  -133.986606c -5.48  -3.45
iter:  17 20:22:45  -133.986082c -5.20  -3.55
iter:  18 20:24:17  -133.985693c -5.43  -3.69
iter:  19 20:25:49  -133.986319c -5.73  -3.84
iter:  20 20:27:20  -133.985453c -6.22  -3.80
iter:  21 20:28:52  -133.985764c -6.35  -3.82
iter:  22 20:30:26  -133.985545c -6.22  -3.97
iter:  23 20:31:57  -133.985418c -6.66  -4.09c
iter:  24 20:33:30  -133.985338c -6.78  -4.22c
iter:  25 20:35:06  -133.985422c -7.15  -4.27c
iter:  26 20:36:41  -133.985290c -6.76  -4.35c
iter:  27 20:38:15  -133.985556c -7.14  -4.33c
iter:  28 20:39:51  -133.985452c -7.37  -4.51c
iter:  29 20:41:26  -133.985446c -7.60c -4.79c

Converged after 29 iterations.

Dipole moment: (-159.393855, 1.320705, 0.111184) |e|*Ang

Energy contributions relative to reference atoms: (reference = -10243855.690308)

Kinetic:       -228.516872
Potential:      +31.495656
External:        +0.000000
XC:             +67.692248
Entropy (-ST):   -2.566710
Local:           -3.373124
--------------------------
Free energy:   -135.268801
Extrapolated:  -133.985446

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   349     -0.45340    1.48592
  0   350     -0.41582    1.33001
  0   351     -0.40388    1.27579
  0   352     -0.37951    1.15986

  1   349     -0.39582    1.23814
  1   350     -0.37256    1.12585
  1   351     -0.35099    1.01868
  1   352     -0.34020    0.96471


Fermi level: -0.34726

No gap

Forces in eV/Ang:
  0 Pd    0.05347    0.06175    0.07073
  1 Pd    0.15583   -0.18538    0.00834
  2 Pd    0.01355    0.01292    0.01857
  3 Pd    0.01528   -0.01321   -0.00376
  4 Au   -0.11879    0.10088   -0.26397
  5 Pd   -0.09537    0.10500   -0.23004
  6 Pd   -0.01204    0.03926    0.07225
  7 Pd   -0.00770    0.01513    0.08970
  8 Pd   -0.03234    0.02528   -0.04936
  9 Pd    0.01484    0.02833    0.06958
 10 Pd    0.05450   -0.07981   -0.01662
 11 Pd   -0.01927   -0.02842    0.08792
 12 Au   -0.01407    0.01644    0.06797
 13 Pd   -0.03981   -0.05040    0.07316
 14 Pd   -0.03587   -0.08853    0.08411
 15 Pd   -0.00711   -0.02157    0.08636
 16 Pd    0.05862   -0.07169   -0.07749
 17 Pd    0.15169    0.05683    0.13286
 18 Pd    0.02470   -0.01169    0.17761
 19 Pd    0.01725   -0.02577    0.14143
 20 Au   -0.11248    0.09611    0.12692
 21 Pd   -0.05002    0.01306   -0.03021
 22 Pd    0.02752    0.06533   -0.21854
 23 Pd   -0.15131   -0.03140   -0.25521
 24 Au    0.00289   -0.09829   -0.14744
 25 Pd    0.02535    0.01199    0.10511
 26 Pd    0.01737    0.04777    0.02076
 27 Au    0.00574   -0.05804   -0.14390
 28 Pd   -0.07122    0.07490   -0.20063
 29 Pd   -0.09867    0.04026   -0.16744
 30 Au    0.02229   -0.14860    0.06510
 31 Au    0.04822    0.04501    0.05405
 32 Pd   -0.12068   -0.05520   -0.10162
 33 Au    0.02585    0.08197   -0.20051
 34 Pd    0.05399    0.02025    0.03838
 35 Pd    0.02905   -0.04654    0.01441
 36 Pd    0.04762    0.00129    0.00758
 37 Au    0.01464    0.05317    0.01700
 38 Pd   -0.01242    0.03021    0.02418
 39 Pd    0.04595    0.05348    0.14549
 40 Pd   -0.02432   -0.10774    0.19874
 41 Au   -0.05287    0.02141   -0.02758
 42 Pd    0.02804   -0.08121    0.26207
 43 Pd    0.10886   -0.01813    0.22291
 44 Pd    0.01272    0.03316   -0.07405
 45 Pd    0.00819   -0.01114   -0.06627
 46 Pd   -0.00827    0.08156   -0.24065

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                                   
                                                   
                                                   
                                                   
                                                   
                         Pd     Pd                 
                                         Pd        
                    Pd             Au              
              Pd    Pd      PPd    Pd              
              Pd      Pd     Pd                    
        Au       Pd    PPd            Pd           
                 Pd      Pd     Au                 
           Pd             Pd             Au        
                    Pd    Au       Pd              
              Pd     Pd     PPd    Au              
              Pd       Au    Pd                    
        Pd             APd            Pd           
                 Pd             Au                 
           Pd                                      
                           Pd                      
                     Pd                            
                                                   
                                                   
                                                   
                                                   

Positions:
   0 Pd     6.297586    0.015994   10.041907    ( 0.0000,  0.0000,  0.0000)
   1 Pd     8.103837    2.151662   10.039956    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.587545    4.003079   10.799890    ( 0.0000,  0.0000,  0.0000)
   3 Pd     1.799815    1.810324   10.840507    ( 0.0000,  0.0000,  0.0000)
   4 Au     6.283122    3.642697   11.520763    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.451397    1.482786   11.578396    ( 0.0000,  0.0000,  0.0000)
   6 Pd     8.961332    3.279170   12.446431    ( 0.0000,  0.0000,  0.0000)
   7 Pd     7.183503    1.099329   12.449844    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.698199    2.883571   13.267940    ( 0.0000,  0.0000,  0.0000)
   9 Pd     0.914071    0.719322   13.274888    ( 0.0000,  0.0000,  0.0000)
  10 Pd     5.370479    2.528718   14.118460    ( 0.0000,  0.0000,  0.0000)
  11 Pd     3.579549    0.384374   14.116431    ( 0.0000,  0.0000,  0.0000)
  12 Au     8.054996    2.181350   14.923240    ( 0.0000,  0.0000,  0.0000)
  13 Pd     6.272662   -0.008063   14.934657    ( 0.0000,  0.0000,  0.0000)
  14 Pd     1.812696    1.831830   15.725470    ( 0.0000,  0.0000,  0.0000)
  15 Pd     3.601287    4.023291   15.773534    ( 0.0000,  0.0000,  0.0000)
  16 Pd     4.515893    1.470902   16.559571    ( 0.0000,  0.0000,  0.0000)
  17 Pd     6.298961    3.685580   16.615763    ( 0.0000,  0.0000,  0.0000)
  18 Pd     7.160796    1.100018   17.432242    ( 0.0000,  0.0000,  0.0000)
  19 Pd     8.976918    3.304860   17.421776    ( 0.0000,  0.0000,  0.0000)
  20 Au     0.851541    0.766352   18.273808    ( 0.0000,  0.0000,  0.0000)
  21 Pd     2.701977    2.944816   18.182278    ( 0.0000,  0.0000,  0.0000)
  22 Pd     3.605157    0.390446   18.948110    ( 0.0000,  0.0000,  0.0000)
  23 Pd     5.333089    2.547765   18.905792    ( 0.0000,  0.0000,  0.0000)
  24 Au     9.869498    4.374442    9.953017    ( 0.0000,  0.0000,  0.0000)
  25 Pd    11.667375    6.602306   10.020642    ( 0.0000,  0.0000,  0.0000)
  26 Pd     7.188975    8.453593   10.836481    ( 0.0000,  0.0000,  0.0000)
  27 Au     5.416111    6.232688   10.707369    ( 0.0000,  0.0000,  0.0000)
  28 Pd     9.830417    8.101458   11.580537    ( 0.0000,  0.0000,  0.0000)
  29 Pd     8.058446    5.895685   11.589327    ( 0.0000,  0.0000,  0.0000)
  30 Au    12.547967    7.750481   12.461981    ( 0.0000,  0.0000,  0.0000)
  31 Au    10.738576    5.515267   12.445860    ( 0.0000,  0.0000,  0.0000)
  32 Pd     6.312890    7.341973   13.295179    ( 0.0000,  0.0000,  0.0000)
  33 Au     4.501329    5.106997   13.315706    ( 0.0000,  0.0000,  0.0000)
  34 Pd     8.952323    6.988516   14.093273    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.180013    4.783207   14.131328    ( 0.0000,  0.0000,  0.0000)
  36 Pd    11.683253    6.611114   14.947396    ( 0.0000,  0.0000,  0.0000)
  37 Au     9.876337    4.410315   14.943043    ( 0.0000,  0.0000,  0.0000)
  38 Pd     5.390061    6.239668   15.765610    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.153783    8.410434   15.733175    ( 0.0000,  0.0000,  0.0000)
  40 Pd     8.045992    5.830520   16.620457    ( 0.0000,  0.0000,  0.0000)
  41 Au     9.890925    8.042059   16.550473    ( 0.0000,  0.0000,  0.0000)
  42 Pd    10.780742    5.468982   17.453271    ( 0.0000,  0.0000,  0.0000)
  43 Pd    12.608952    7.683661   17.434241    ( 0.0000,  0.0000,  0.0000)
  44 Pd     4.489298    5.133591   18.144788    ( 0.0000,  0.0000,  0.0000)
  45 Pd     6.271429    7.312954   18.153372    ( 0.0000,  0.0000,  0.0000)
  46 Pd     8.974821    6.981743   18.932522    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.975931    0.000000    0.000000    42     0.1655
  2. axis:    yes    7.180745    8.794580    0.000000    54     0.1629
  3. axis:    no     0.000000    0.000000   29.013253   135     0.2149

  Lengths:   8.975931  11.353754  29.013253
  Angles:   90.000000  90.000000  50.768480

Effective grid spacing dv^(1/3) = 0.1956

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 20:43:37  -140.691309  -1.79
iter:   2 20:45:10  -179.792389  -1.20  -1.83
iter:   3 20:46:42  -138.562216  -1.83  -1.45
iter:   4 20:48:12  -134.627526  -2.33  -2.06
iter:   5 20:49:41  -134.238357  -3.06  -2.49
iter:   6 20:51:04  -134.204455  -3.56  -2.67
iter:   7 20:52:40  -134.137715c -3.66  -2.71
iter:   8 20:54:09  -134.114367c -4.55  -2.83
iter:   9 20:55:39  -134.103795c -4.18  -2.98
iter:  10 20:57:09  -134.101964c -4.49  -3.17
iter:  11 20:58:40  -134.101064c -5.14  -3.29
iter:  12 21:00:11  -134.103343c -4.99  -3.36
iter:  13 21:01:42  -134.100783c -5.27  -3.28
iter:  14 21:03:14  -134.099215c -5.39  -3.56
iter:  15 21:04:45  -134.099042c -5.87  -3.55
iter:  16 21:06:16  -134.098658c -5.95  -3.68
iter:  17 21:07:46  -134.098531c -6.03  -3.80
iter:  18 21:09:15  -134.098472c -6.07  -3.94
iter:  19 21:10:44  -134.099407c -6.17  -4.00c
iter:  20 21:12:14  -134.098504c -6.71  -3.90
iter:  21 21:13:43  -134.098662c -6.86  -4.21c
iter:  22 21:15:14  -134.098620c -6.90  -4.29c
iter:  23 21:16:44  -134.098626c -7.07  -4.41c
iter:  24 21:18:15  -134.098610c -7.40  -4.50c
iter:  25 21:19:48  -134.098699c -7.58c -4.60c

Converged after 25 iterations.

Dipole moment: (-158.727019, 1.553785, 0.105921) |e|*Ang

Energy contributions relative to reference atoms: (reference = -10243855.690308)

Kinetic:       -231.107547
Potential:      +33.517364
External:        +0.000000
XC:             +68.152067
Entropy (-ST):   -2.549241
Local:           -3.385963
--------------------------
Free energy:   -135.373320
Extrapolated:  -134.098699

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   349     -0.45667    1.45931
  0   350     -0.42583    1.32948
  0   351     -0.41282    1.27030
  0   352     -0.39167    1.16977

  1   349     -0.40189    1.21894
  1   350     -0.38123    1.11868
  1   351     -0.35955    1.01085
  1   352     -0.35036    0.96488


Fermi level: -0.35739

No gap

Forces in eV/Ang:
  0 Pd    0.02028    0.01799    0.05736
  1 Pd    0.10240   -0.07669   -0.00552
  2 Pd   -0.07341    0.08109   -0.01392
  3 Pd   -0.01853    0.06917   -0.04499
  4 Au    0.01619    0.00550   -0.11184
  5 Pd    0.02098   -0.03786   -0.07662
  6 Pd   -0.03490    0.10400    0.02457
  7 Pd   -0.06893    0.05135    0.09950
  8 Pd    0.00164    0.09738    0.03939
  9 Pd   -0.04330    0.01688    0.08434
 10 Pd    0.02409    0.06291   -0.08372
 11 Pd    0.02439   -0.03802   -0.05867
 12 Au    0.02880    0.02504    0.11922
 13 Pd    0.03742   -0.03909    0.07200
 14 Pd   -0.07050   -0.00660    0.08832
 15 Pd    0.02256   -0.00950   -0.09680
 16 Pd    0.01270   -0.06188   -0.17347
 17 Pd    0.09620    0.01103   -0.01096
 18 Pd    0.04278   -0.01076    0.07374
 19 Pd    0.02014   -0.01698    0.06312
 20 Au   -0.02132    0.04077    0.08039
 21 Pd   -0.09257   -0.03294   -0.00186
 22 Pd   -0.03827    0.01922   -0.10525
 23 Pd   -0.06989    0.03130   -0.02497
 24 Au    0.02309   -0.05294    0.00803
 25 Pd    0.00919   -0.00289    0.06628
 26 Pd   -0.02549   -0.03288    0.01489
 27 Au   -0.04302    0.01729   -0.09730
 28 Pd    0.05114   -0.02943   -0.05723
 29 Pd    0.02841   -0.02871   -0.06839
 30 Au   -0.02749   -0.01215    0.01800
 31 Au   -0.05891   -0.00485   -0.01075
 32 Pd   -0.06381   -0.04043   -0.04209
 33 Au    0.03491   -0.02632   -0.08139
 34 Pd    0.00060   -0.03698   -0.00303
 35 Pd   -0.00708   -0.03731   -0.04160
 36 Pd    0.02205   -0.06329    0.07798
 37 Au    0.02544    0.01040    0.08340
 38 Pd   -0.00098   -0.02882   -0.11910
 39 Pd    0.04064    0.03547    0.06738
 40 Pd    0.04427   -0.07280    0.02365
 41 Au   -0.00636   -0.03128   -0.04615
 42 Pd    0.00375    0.01537    0.09061
 43 Pd   -0.03521   -0.00107    0.11064
 44 Pd    0.02281    0.01289    0.04801
 45 Pd    0.04914    0.02000    0.06372
 46 Pd   -0.01976    0.08421   -0.04189

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                                   
                                                   
                                                   
                                                   
                                                   
                         Pd     Pd                 
                                         Pd        
                    Pd             Pd              
              Pd    Pd      PPd                    
        Au    Pd      Pd     Pd                    
                 Pd    PPd            Pd           
                 Pd      Pd     Au                 
           Pd             Pd             Au        
                    Pd    Au       Pd              
              Pd     Pd     PPd    Au              
              Pd       Au    Pd                    
        Pd             APd            Pd           
                 Pd             Au                 
           Pd                                      
                           Pd                      
                     Pd                            
                                                   
                                                   
                                                   
                                                   

Positions:
   0 Pd     6.303836    0.022055   10.056847    ( 0.0000,  0.0000,  0.0000)
   1 Pd     8.125280    2.130515   10.044499    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.577836    4.010907   10.795992    ( 0.0000,  0.0000,  0.0000)
   3 Pd     1.798563    1.816611   10.836977    ( 0.0000,  0.0000,  0.0000)
   4 Au     6.282570    3.643265   11.483793    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.447448    1.482487   11.554413    ( 0.0000,  0.0000,  0.0000)
   6 Pd     8.954709    3.291928   12.450128    ( 0.0000,  0.0000,  0.0000)
   7 Pd     7.174571    1.106701   12.464613    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.698571    2.891362   13.270813    ( 0.0000,  0.0000,  0.0000)
   9 Pd     0.910945    0.720618   13.287800    ( 0.0000,  0.0000,  0.0000)
  10 Pd     5.373520    2.530608   14.109387    ( 0.0000,  0.0000,  0.0000)
  11 Pd     3.581286    0.380757   14.113180    ( 0.0000,  0.0000,  0.0000)
  12 Au     8.055873    2.182977   14.942073    ( 0.0000,  0.0000,  0.0000)
  13 Pd     6.275688   -0.015694   14.948652    ( 0.0000,  0.0000,  0.0000)
  14 Pd     1.804705    1.828620   15.738332    ( 0.0000,  0.0000,  0.0000)
  15 Pd     3.605849    4.020486   15.767387    ( 0.0000,  0.0000,  0.0000)
  16 Pd     4.522960    1.461305   16.534565    ( 0.0000,  0.0000,  0.0000)
  17 Pd     6.318223    3.691226   16.625386    ( 0.0000,  0.0000,  0.0000)
  18 Pd     7.164998    1.098345   17.454159    ( 0.0000,  0.0000,  0.0000)
  19 Pd     8.980513    3.302768   17.439994    ( 0.0000,  0.0000,  0.0000)
  20 Au     0.840196    0.778612   18.298155    ( 0.0000,  0.0000,  0.0000)
  21 Pd     2.689565    2.942360   18.179778    ( 0.0000,  0.0000,  0.0000)
  22 Pd     3.602823    0.397783   18.919921    ( 0.0000,  0.0000,  0.0000)
  23 Pd     5.313330    2.549017   18.882203    ( 0.0000,  0.0000,  0.0000)
  24 Au     9.872489    4.361822    9.944363    ( 0.0000,  0.0000,  0.0000)
  25 Pd    11.669391    6.603030   10.034970    ( 0.0000,  0.0000,  0.0000)
  26 Pd     7.187288    8.453581   10.841211    ( 0.0000,  0.0000,  0.0000)
  27 Au     5.414581    6.233960   10.676210    ( 0.0000,  0.0000,  0.0000)
  28 Pd     9.830358    8.104428   11.560215    ( 0.0000,  0.0000,  0.0000)
  29 Pd     8.057545    5.896960   11.569454    ( 0.0000,  0.0000,  0.0000)
  30 Au    12.542755    7.752052   12.466581    ( 0.0000,  0.0000,  0.0000)
  31 Au    10.727946    5.518132   12.444216    ( 0.0000,  0.0000,  0.0000)
  32 Pd     6.305195    7.336736   13.289097    ( 0.0000,  0.0000,  0.0000)
  33 Au     4.508726    5.102567   13.304360    ( 0.0000,  0.0000,  0.0000)
  34 Pd     8.951072    6.987329   14.093377    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.179988    4.779420   14.130413    ( 0.0000,  0.0000,  0.0000)
  36 Pd    11.689608    6.604470   14.962148    ( 0.0000,  0.0000,  0.0000)
  37 Au     9.880817    4.414745   14.958219    ( 0.0000,  0.0000,  0.0000)
  38 Pd     5.390472    6.237814   15.753833    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.157345    8.414374   15.745738    ( 0.0000,  0.0000,  0.0000)
  40 Pd     8.047565    5.813726   16.637069    ( 0.0000,  0.0000,  0.0000)
  41 Au     9.891209    8.035854   16.542903    ( 0.0000,  0.0000,  0.0000)
  42 Pd    10.783482    5.465482   17.482318    ( 0.0000,  0.0000,  0.0000)
  43 Pd    12.612659    7.681578   17.462590    ( 0.0000,  0.0000,  0.0000)
  44 Pd     4.493183    5.136626   18.143183    ( 0.0000,  0.0000,  0.0000)
  45 Pd     6.277120    7.313372   18.155194    ( 0.0000,  0.0000,  0.0000)
  46 Pd     8.972069    6.997745   18.910403    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.975931    0.000000    0.000000    42     0.1655
  2. axis:    yes    7.180745    8.794580    0.000000    54     0.1629
  3. axis:    no     0.000000    0.000000   29.013253   135     0.2149

  Lengths:   8.975931  11.353754  29.013253
  Angles:   90.000000  90.000000  50.768480

Effective grid spacing dv^(1/3) = 0.1956

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 21:22:00  -135.389103  -2.09
iter:   2 21:23:30  -141.568909  -2.05  -2.19
iter:   3 21:25:04  -134.857894  -2.44  -1.87
iter:   4 21:26:34  -134.197128  -3.18  -2.37
iter:   5 21:28:07  -134.182437  -3.68  -2.89
iter:   6 21:29:39  -134.161514c -4.29  -2.91
iter:   7 21:31:11  -134.155692c -4.50  -3.11
iter:   8 21:32:43  -134.154180c -4.51  -3.23
iter:   9 21:34:13  -134.153165c -5.00  -3.36
iter:  10 21:35:45  -134.154739c -5.27  -3.45
iter:  11 21:37:17  -134.152278c -5.39  -3.44
iter:  12 21:38:48  -134.151732c -5.31  -3.64
iter:  13 21:40:20  -134.151760c -5.87  -3.79
iter:  14 21:41:53  -134.151484c -6.11  -3.90
iter:  15 21:43:25  -134.151968c -6.00  -3.96
iter:  16 21:44:56  -134.151557c -6.49  -4.05c
iter:  17 21:46:29  -134.151677c -6.87  -4.17c
iter:  18 21:48:01  -134.151623c -6.97  -4.19c
iter:  19 21:49:32  -134.151621c -6.87  -4.27c
iter:  20 21:51:05  -134.151502c -7.13  -4.37c
iter:  21 21:52:37  -134.151639c -7.49c -4.48c

Converged after 21 iterations.

Dipole moment: (-157.275675, 1.833095, 0.102381) |e|*Ang

Energy contributions relative to reference atoms: (reference = -10243855.690308)

Kinetic:       -232.980301
Potential:      +34.962930
External:        +0.000000
XC:             +68.503419
Entropy (-ST):   -2.534511
Local:           -3.370432
--------------------------
Free energy:   -135.418895
Extrapolated:  -134.151639

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   349     -0.46603    1.45322
  0   350     -0.43819    1.33601
  0   351     -0.42132    1.25915
  0   352     -0.40432    1.17829

  1   349     -0.41042    1.20766
  1   350     -0.39109    1.11359
  1   351     -0.36888    1.00301
  1   352     -0.36067    0.96198


Fermi level: -0.36828

No gap

Forces in eV/Ang:
  0 Pd    0.00134    0.00210    0.01025
  1 Pd    0.01939   -0.00099   -0.00480
  2 Pd   -0.01998    0.04804    0.00121
  3 Pd    0.00530    0.02487    0.02973
  4 Au    0.02335   -0.00968   -0.05181
  5 Pd    0.01531   -0.00359    0.00940
  6 Pd   -0.03451    0.03352    0.04548
  7 Pd   -0.01559    0.05105    0.07410
  8 Pd   -0.01928    0.02965    0.02866
  9 Pd   -0.03369    0.02936    0.00738
 10 Pd    0.03797    0.05206   -0.08687
 11 Pd   -0.00727   -0.00208   -0.08959
 12 Au    0.01243    0.02394    0.04693
 13 Pd    0.05493   -0.01168    0.01593
 14 Pd    0.00183   -0.00007    0.03032
 15 Pd    0.04336   -0.02044   -0.03855
 16 Pd   -0.00739    0.01502   -0.09666
 17 Pd   -0.03122   -0.03116   -0.05538
 18 Pd   -0.01315   -0.00744    0.02195
 19 Pd   -0.00075    0.01482    0.05189
 20 Au    0.02420   -0.01450    0.05451
 21 Pd   -0.02342   -0.01044   -0.01765
 22 Pd   -0.05719    0.00794   -0.01339
 23 Pd   -0.03045    0.03477    0.03735
 24 Au    0.00039    0.00182    0.02391
 25 Pd   -0.01073    0.00663   -0.01173
 26 Pd   -0.00831   -0.05877    0.05081
 27 Au   -0.01811    0.00461   -0.01540
 28 Pd    0.02113   -0.01471    0.02892
 29 Pd    0.00738   -0.02696   -0.01584
 30 Au   -0.00169   -0.03136    0.04828
 31 Au   -0.02371   -0.00634    0.05337
 32 Pd   -0.01002   -0.00873   -0.02647
 33 Au   -0.01154    0.00594   -0.10369
 34 Pd   -0.03354   -0.04582   -0.03011
 35 Pd    0.02232   -0.02381   -0.07023
 36 Pd    0.01406   -0.05724    0.01150
 37 Au    0.00636   -0.00851    0.04350
 38 Pd    0.04300   -0.03042   -0.02871
 39 Pd    0.02544   -0.03501    0.01966
 40 Pd    0.03093    0.01508   -0.06811
 41 Au   -0.00739   -0.01646   -0.07572
 42 Pd    0.01660    0.03456    0.00669
 43 Pd   -0.03282   -0.00766    0.01759
 44 Pd    0.01595   -0.01283    0.02146
 45 Pd    0.01934    0.00116    0.04594
 46 Pd   -0.01349    0.06015    0.09371

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                                   
                                                   
                                                   
                                                   
                                                   
                         Pd     Pd                 
                                         Pd        
                    Pd             Pd              
              Pd    Pd      PPd                    
        Au    Pd       Pd    Pd                    
                 Pd    PPd            Pd           
                 Pd      Pd     Au                 
           Pd             Pd             Au        
                    Pd    Au       Pd              
              Pd     Pd     PPd    Au              
              Pd       Au    Pd                    
        Pd             APd            Pd           
                 Pd             Au                 
           Pd                                      
                           Pd                      
                     Pd                            
                                                   
                                                   
                                                   
                                                   

Positions:
   0 Pd     6.306290    0.024615   10.063197    ( 0.0000,  0.0000,  0.0000)
   1 Pd     8.134582    2.122882   10.046031    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.573207    4.018178   10.794913    ( 0.0000,  0.0000,  0.0000)
   3 Pd     1.799275    1.820508   10.840536    ( 0.0000,  0.0000,  0.0000)
   4 Au     6.284515    3.642409   11.463566    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.446824    1.483287   11.546751    ( 0.0000,  0.0000,  0.0000)
   6 Pd     8.948377    3.298895   12.457073    ( 0.0000,  0.0000,  0.0000)
   7 Pd     7.170651    1.115018   12.477933    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.696118    2.895832   13.274463    ( 0.0000,  0.0000,  0.0000)
   9 Pd     0.906550    0.724546   13.292131    ( 0.0000,  0.0000,  0.0000)
  10 Pd     5.379179    2.536072   14.096658    ( 0.0000,  0.0000,  0.0000)
  11 Pd     3.580352    0.379927   14.102214    ( 0.0000,  0.0000,  0.0000)
  12 Au     8.056984    2.186085   14.953038    ( 0.0000,  0.0000,  0.0000)
  13 Pd     6.282857   -0.019527   14.954912    ( 0.0000,  0.0000,  0.0000)
  14 Pd     1.803388    1.827150   15.745512    ( 0.0000,  0.0000,  0.0000)
  15 Pd     3.612720    4.016859   15.762801    ( 0.0000,  0.0000,  0.0000)
  16 Pd     4.524879    1.460635   16.516070    ( 0.0000,  0.0000,  0.0000)
  17 Pd     6.320253    3.689525   16.623151    ( 0.0000,  0.0000,  0.0000)
  18 Pd     7.163980    1.096939   17.464876    ( 0.0000,  0.0000,  0.0000)
  19 Pd     8.981448    3.304173   17.453146    ( 0.0000,  0.0000,  0.0000)
  20 Au     0.838669    0.781176   18.313761    ( 0.0000,  0.0000,  0.0000)
  21 Pd     2.683685    2.940937   18.176397    ( 0.0000,  0.0000,  0.0000)
  22 Pd     3.595651    0.401621   18.908367    ( 0.0000,  0.0000,  0.0000)
  23 Pd     5.302423    2.553032   18.876748    ( 0.0000,  0.0000,  0.0000)
  24 Au     9.873182    4.357818    9.943022    ( 0.0000,  0.0000,  0.0000)
  25 Pd    11.668699    6.604311   10.038082    ( 0.0000,  0.0000,  0.0000)
  26 Pd     7.186270    8.447116   10.849411    ( 0.0000,  0.0000,  0.0000)
  27 Au     5.412840    6.234438   10.663106    ( 0.0000,  0.0000,  0.0000)
  28 Pd     9.831372    8.104886   11.556174    ( 0.0000,  0.0000,  0.0000)
  29 Pd     8.056999    5.894991   11.560282    ( 0.0000,  0.0000,  0.0000)
  30 Au    12.541132    7.748617   12.474441    ( 0.0000,  0.0000,  0.0000)
  31 Au    10.722130    5.518829   12.450816    ( 0.0000,  0.0000,  0.0000)
  32 Pd     6.302046    7.334342   13.283973    ( 0.0000,  0.0000,  0.0000)
  33 Au     4.509525    5.102405   13.287884    ( 0.0000,  0.0000,  0.0000)
  34 Pd     8.946369    6.982052   14.089760    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.183127    4.775655   14.122238    ( 0.0000,  0.0000,  0.0000)
  36 Pd    11.693671    6.596063   14.967803    ( 0.0000,  0.0000,  0.0000)
  37 Au     9.882888    4.415431   14.968035    ( 0.0000,  0.0000,  0.0000)
  38 Pd     5.396156    6.234022   15.748525    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.161125    8.410733   15.752201    ( 0.0000,  0.0000,  0.0000)
  40 Pd     8.050878    5.810154   16.635431    ( 0.0000,  0.0000,  0.0000)
  41 Au     9.890409    8.032014   16.531151    ( 0.0000,  0.0000,  0.0000)
  42 Pd    10.786771    5.467723   17.493930    ( 0.0000,  0.0000,  0.0000)
  43 Pd    12.611379    7.679670   17.474611    ( 0.0000,  0.0000,  0.0000)
  44 Pd     4.496296    5.136024   18.143653    ( 0.0000,  0.0000,  0.0000)
  45 Pd     6.280684    7.313098   18.159862    ( 0.0000,  0.0000,  0.0000)
  46 Pd     8.969687    7.010221   18.913340    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.975931    0.000000    0.000000    42     0.1655
  2. axis:    yes    7.180745    8.794580    0.000000    54     0.1629
  3. axis:    no     0.000000    0.000000   29.013253   135     0.2149

  Lengths:   8.975931  11.353754  29.013253
  Angles:   90.000000  90.000000  50.768480

Effective grid spacing dv^(1/3) = 0.1956

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 21:54:50  -134.400459  -2.65
iter:   2 21:56:20  -137.689350  -2.61  -2.54
iter:   3 21:57:54  -134.252863  -3.02  -2.01
iter:   4 21:59:26  -134.179037  -3.81  -2.84
iter:   5 22:00:57  -134.176829c -4.49  -3.28
iter:   6 22:02:31  -134.174840c -4.81  -3.31
iter:   7 22:04:02  -134.173737c -4.93  -3.47
iter:   8 22:05:33  -134.173248c -5.39  -3.60
iter:   9 22:07:03  -134.174613c -5.63  -3.67
iter:  10 22:08:37  -134.172625c -5.70  -3.67
iter:  11 22:10:13  -134.172908c -5.95  -3.88
iter:  12 22:11:46  -134.173010c -6.14  -3.96
iter:  13 22:13:19  -134.172831c -6.60  -4.05c
iter:  14 22:14:56  -134.172796c -6.82  -4.18c
iter:  15 22:16:33  -134.173107c -6.79  -4.26c
iter:  16 22:18:10  -134.172710c -6.97  -4.17c
iter:  17 22:19:48  -134.172771c -7.10  -4.43c
iter:  18 22:21:22  -134.172801c -7.52c -4.54c

Converged after 18 iterations.

Dipole moment: (-157.090466, 2.005078, 0.098968) |e|*Ang

Energy contributions relative to reference atoms: (reference = -10243855.690308)

Kinetic:       -234.541672
Potential:      +36.267810
External:        +0.000000
XC:             +68.735303
Entropy (-ST):   -2.529352
Local:           -3.369565
--------------------------
Free energy:   -135.437477
Extrapolated:  -134.172801

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   349     -0.47376    1.46033
  0   350     -0.44458    1.33800
  0   351     -0.42730    1.25939
  0   352     -0.41016    1.17783

  1   349     -0.41542    1.20316
  1   350     -0.39492    1.10316
  1   351     -0.37438    1.00085
  1   352     -0.36628    0.96038


Fermi level: -0.37421

No gap

Forces in eV/Ang:
  0 Pd    0.00277    0.00044    0.02446
  1 Pd    0.01186   -0.01061    0.00267
  2 Pd   -0.01692    0.01890   -0.01445
  3 Pd   -0.00016    0.00477    0.04310
  4 Au    0.01144   -0.00929   -0.04554
  5 Pd    0.01290    0.00027    0.01251
  6 Pd   -0.01012    0.00228    0.01975
  7 Pd    0.00286    0.00884    0.01821
  8 Pd   -0.01777    0.00873    0.02224
  9 Pd   -0.02346    0.01639    0.01378
 10 Pd    0.01378    0.03119   -0.06834
 11 Pd   -0.00860    0.00586   -0.05882
 12 Au    0.02205   -0.00839    0.04883
 13 Pd    0.02756   -0.00831    0.01834
 14 Pd    0.00115   -0.01108    0.01605
 15 Pd    0.03867    0.00392   -0.03803
 16 Pd    0.00288   -0.00038   -0.04465
 17 Pd   -0.02662   -0.02320   -0.03642
 18 Pd   -0.02277   -0.00459    0.02143
 19 Pd   -0.01947    0.01705    0.05574
 20 Au   -0.00008   -0.00793    0.01763
 21 Pd   -0.00792    0.00638   -0.01395
 22 Pd   -0.03423    0.01164   -0.01395
 23 Pd   -0.01891    0.01456    0.02577
 24 Au   -0.00416    0.01774    0.03009
 25 Pd   -0.01985    0.01021   -0.00529
 26 Pd   -0.00735   -0.02080    0.04005
 27 Au   -0.00886    0.00888   -0.00849
 28 Pd    0.00661   -0.00570    0.03342
 29 Pd    0.00418   -0.02212   -0.02696
 30 Au    0.01777    0.00334    0.00293
 31 Au   -0.01483   -0.00875    0.01543
 32 Pd    0.00105   -0.00113   -0.00830
 33 Au    0.00804    0.00205   -0.03831
 34 Pd   -0.03417   -0.01389   -0.03758
 35 Pd   -0.00269   -0.00524   -0.05589
 36 Pd    0.03587   -0.03110    0.01251
 37 Au    0.01086   -0.02439    0.04256
 38 Pd    0.02956   -0.03464   -0.01505
 39 Pd    0.00727   -0.01202    0.01733
 40 Pd    0.02055    0.02328   -0.02873
 41 Au    0.00335   -0.00433   -0.02073
 42 Pd    0.00607    0.03892    0.00448
 43 Pd   -0.01824    0.00009   -0.00948
 44 Pd    0.01779   -0.01084    0.00850
 45 Pd    0.00493   -0.00699    0.02564
 46 Pd    0.00204    0.03445    0.05494

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                                   
                                                   
                                                   
                                                   
                                                   
                         Pd     Pd                 
                                         Pd        
                    Pd             Pd              
              Pd    Pd      PPd                    
        Au    Pd       Pd     Pd                   
                 Pd    PPd            Pd           
                 Pd      Pd     Au                 
           Pd             Pd             Au        
                    Au     Au      Pd              
              Pd    PPd     PPd    Au              
              Pd       Au    Pd                    
        Pd             APd            Pd           
                 Pd             Au                 
           Pd                                      
                           Pd                      
                     Pd                            
                                                   
                                                   
                                                   
                                                   

Positions:
   0 Pd     6.310541    0.029051   10.074198    ( 0.0000,  0.0000,  0.0000)
   1 Pd     8.150696    2.109657   10.048685    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.565188    4.030777   10.793043    ( 0.0000,  0.0000,  0.0000)
   3 Pd     1.800508    1.827260   10.846702    ( 0.0000,  0.0000,  0.0000)
   4 Au     6.287884    3.640926   11.428522    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.445742    1.484672   11.533478    ( 0.0000,  0.0000,  0.0000)
   6 Pd     8.937408    3.310964   12.469106    ( 0.0000,  0.0000,  0.0000)
   7 Pd     7.163860    1.129427   12.501008    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.691866    2.903574   13.280786    ( 0.0000,  0.0000,  0.0000)
   9 Pd     0.898936    0.731352   13.299635    ( 0.0000,  0.0000,  0.0000)
  10 Pd     5.388983    2.545538   14.074607    ( 0.0000,  0.0000,  0.0000)
  11 Pd     3.578734    0.378489   14.083217    ( 0.0000,  0.0000,  0.0000)
  12 Au     8.058909    2.191470   14.972035    ( 0.0000,  0.0000,  0.0000)
  13 Pd     6.295278   -0.026167   14.965756    ( 0.0000,  0.0000,  0.0000)
  14 Pd     1.801107    1.824604   15.757953    ( 0.0000,  0.0000,  0.0000)
  15 Pd     3.624625    4.010574   15.754855    ( 0.0000,  0.0000,  0.0000)
  16 Pd     4.528205    1.459473   16.484027    ( 0.0000,  0.0000,  0.0000)
  17 Pd     6.323770    3.686577   16.619279    ( 0.0000,  0.0000,  0.0000)
  18 Pd     7.162218    1.094503   17.483443    ( 0.0000,  0.0000,  0.0000)
  19 Pd     8.983068    3.306606   17.475933    ( 0.0000,  0.0000,  0.0000)
  20 Au     0.836023    0.785618   18.340797    ( 0.0000,  0.0000,  0.0000)
  21 Pd     2.673499    2.938471   18.170538    ( 0.0000,  0.0000,  0.0000)
  22 Pd     3.583225    0.408269   18.888350    ( 0.0000,  0.0000,  0.0000)
  23 Pd     5.283528    2.559989   18.867297    ( 0.0000,  0.0000,  0.0000)
  24 Au     9.874383    4.350880    9.940700    ( 0.0000,  0.0000,  0.0000)
  25 Pd    11.667500    6.606530   10.043475    ( 0.0000,  0.0000,  0.0000)
  26 Pd     7.184506    8.435915   10.863616    ( 0.0000,  0.0000,  0.0000)
  27 Au     5.409825    6.235266   10.640405    ( 0.0000,  0.0000,  0.0000)
  28 Pd     9.833130    8.105680   11.549173    ( 0.0000,  0.0000,  0.0000)
  29 Pd     8.056055    5.891580   11.544393    ( 0.0000,  0.0000,  0.0000)
  30 Au    12.538322    7.742668   12.488059    ( 0.0000,  0.0000,  0.0000)
  31 Au    10.712052    5.520037   12.462252    ( 0.0000,  0.0000,  0.0000)
  32 Pd     6.296590    7.330194   13.275095    ( 0.0000,  0.0000,  0.0000)
  33 Au     4.510910    5.102124   13.259339    ( 0.0000,  0.0000,  0.0000)
  34 Pd     8.938223    6.972911   14.083493    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.188567    4.769133   14.108077    ( 0.0000,  0.0000,  0.0000)
  36 Pd    11.700711    6.581500   14.977598    ( 0.0000,  0.0000,  0.0000)
  37 Au     9.886478    4.416618   14.985041    ( 0.0000,  0.0000,  0.0000)
  38 Pd     5.406004    6.227452   15.739329    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.167674    8.404425   15.763398    ( 0.0000,  0.0000,  0.0000)
  40 Pd     8.056616    5.803967   16.632592    ( 0.0000,  0.0000,  0.0000)
  41 Au     9.889025    8.025360   16.510790    ( 0.0000,  0.0000,  0.0000)
  42 Pd    10.792470    5.471605   17.514047    ( 0.0000,  0.0000,  0.0000)
  43 Pd    12.609161    7.676366   17.495436    ( 0.0000,  0.0000,  0.0000)
  44 Pd     4.501690    5.134980   18.144467    ( 0.0000,  0.0000,  0.0000)
  45 Pd     6.286860    7.312623   18.167947    ( 0.0000,  0.0000,  0.0000)
  46 Pd     8.965561    7.031834   18.918428    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.975931    0.000000    0.000000    42     0.1655
  2. axis:    yes    7.180745    8.794580    0.000000    54     0.1629
  3. axis:    no     0.000000    0.000000   29.013253   135     0.2149

  Lengths:   8.975931  11.353754  29.013253
  Angles:   90.000000  90.000000  50.768480

Effective grid spacing dv^(1/3) = 0.1956

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 22:23:35  -134.624982  -2.18
iter:   2 22:25:07  -138.517670  -2.40  -2.41
iter:   3 22:26:41  -134.328222  -2.79  -1.97
iter:   4 22:28:18  -134.191334  -3.50  -2.66
iter:   5 22:29:53  -134.187912c -4.10  -3.05
iter:   6 22:31:27  -134.184936c -4.33  -3.07
iter:   7 22:33:04  -134.180451c -4.46  -3.18
iter:   8 22:34:42  -134.178518c -4.89  -3.32
iter:   9 22:36:16  -134.177589c -5.15  -3.47
iter:  10 22:37:50  -134.177236c -5.17  -3.62
iter:  11 22:39:25  -134.177059c -5.50  -3.79
iter:  12 22:41:00  -134.177465c -5.89  -3.90
iter:  13 22:42:35  -134.176912c -6.10  -3.94
iter:  14 22:44:08  -134.177380c -6.30  -3.92
iter:  15 22:45:41  -134.177048c -6.27  -3.99
iter:  16 22:47:13  -134.176951c -6.55  -4.23c
iter:  17 22:48:47  -134.176887c -6.94  -4.32c
iter:  18 22:50:21  -134.176961c -7.12  -4.35c
iter:  19 22:51:53  -134.176792c -7.14  -4.41c
iter:  20 22:53:26  -134.177057c -7.25  -4.38c
iter:  21 22:54:59  -134.176920c -7.37  -4.34c
iter:  22 22:56:31  -134.176923c -7.73c -4.64c

Converged after 22 iterations.

Dipole moment: (-156.659393, 2.280352, 0.095263) |e|*Ang

Energy contributions relative to reference atoms: (reference = -10243855.690308)

Kinetic:       -235.805278
Potential:      +37.261791
External:        +0.000000
XC:             +68.998479
Entropy (-ST):   -2.518716
Local:           -3.372557
--------------------------
Free energy:   -135.436281
Extrapolated:  -134.176923

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   349     -0.48456    1.47015
  0   350     -0.45395    1.34275
  0   351     -0.43565    1.25963
  0   352     -0.41885    1.17975

  1   349     -0.42206    1.19525
  1   350     -0.39948    1.08466
  1   351     -0.38205    0.99771
  1   352     -0.37396    0.95733


Fermi level: -0.38250

No gap

Forces in eV/Ang:
  0 Pd   -0.00398   -0.01104    0.05165
  1 Pd   -0.02907    0.00800    0.04498
  2 Pd    0.01977   -0.04833   -0.02958
  3 Pd   -0.00511   -0.02774    0.07528
  4 Au   -0.01517   -0.00460   -0.03192
  5 Pd    0.01260    0.01946    0.04640
  6 Pd    0.04122   -0.06256   -0.04734
  7 Pd    0.04681   -0.08295   -0.11605
  8 Pd   -0.00307   -0.02939    0.00260
  9 Pd   -0.00471   -0.01387    0.01145
 10 Pd   -0.03682    0.00560   -0.00252
 11 Pd   -0.01341    0.02423    0.00816
 12 Au    0.02951   -0.05016    0.05045
 13 Pd   -0.02357    0.00500   -0.01276
 14 Pd    0.01303   -0.01701   -0.03294
 15 Pd    0.01672    0.03440   -0.01397
 16 Pd    0.00720   -0.00641    0.09451
 17 Pd   -0.02977   -0.01375   -0.02708
 18 Pd   -0.02850    0.00358   -0.01259
 19 Pd   -0.05063    0.01618    0.01847
 20 Au   -0.05632    0.00979   -0.03626
 21 Pd    0.04071    0.04626   -0.01758
 22 Pd    0.00809    0.00694   -0.02550
 23 Pd    0.00592   -0.03435   -0.01405
 24 Au   -0.02209    0.05047    0.04964
 25 Pd   -0.03800    0.01923   -0.00186
 26 Pd   -0.00217    0.05281    0.01299
 27 Au    0.01104   -0.00835    0.01349
 28 Pd   -0.01592   -0.00183    0.05453
 29 Pd    0.00046   -0.02011   -0.01264
 30 Au    0.05705    0.05396   -0.07449
 31 Au    0.01055   -0.01118   -0.04770
 32 Pd    0.02407    0.01544    0.04374
 33 Au    0.03463    0.00071    0.07036
 34 Pd   -0.03319    0.04055   -0.04258
 35 Pd   -0.05709    0.03054   -0.01437
 36 Pd    0.04867    0.03568   -0.01352
 37 Au    0.01231   -0.05704    0.04029
 38 Pd    0.01593   -0.03686    0.02102
 39 Pd   -0.02868    0.01604   -0.02310
 40 Pd   -0.00121    0.05252    0.02472
 41 Au    0.03324    0.00413    0.07138
 42 Pd   -0.02469    0.04119   -0.02751
 43 Pd    0.01507    0.00704   -0.08641
 44 Pd    0.00675    0.00293   -0.04005
 45 Pd   -0.03134   -0.02508   -0.01321
 46 Pd    0.03591   -0.04495   -0.00953

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                                   
                                                   
                                                   
                                                   
                                                   
                         Pd     Pd                 
                                         Pd        
                    Pd             Pd              
              Pd    Pd      PPd                    
        Au    Pd       Pd     Pd                   
                 Pd    PPd            Pd           
                 Pd      Pd     Au                 
           Pd             Pd             Au        
                    Pd     Au      Pd              
              Pd     Pd     PPd    Au              
              Pd       Au    Pd                    
        Pd             APd            Pd           
                 Pd             Au                 
           Pd                                      
                           Pd                      
                     Pd                            
                                                   
                                                   
                                                   
                                                   

Positions:
   0 Pd     6.308222    0.026631   10.068197    ( 0.0000,  0.0000,  0.0000)
   1 Pd     8.141906    2.116871   10.047237    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.569562    4.023904   10.794063    ( 0.0000,  0.0000,  0.0000)
   3 Pd     1.799835    1.823577   10.843338    ( 0.0000,  0.0000,  0.0000)
   4 Au     6.286046    3.641735   11.447638    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.446332    1.483917   11.540718    ( 0.0000,  0.0000,  0.0000)
   6 Pd     8.943392    3.304380   12.462542    ( 0.0000,  0.0000,  0.0000)
   7 Pd     7.167564    1.121567   12.488421    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.694185    2.899351   13.277337    ( 0.0000,  0.0000,  0.0000)
   9 Pd     0.903090    0.727640   13.295542    ( 0.0000,  0.0000,  0.0000)
  10 Pd     5.383635    2.540375   14.086636    ( 0.0000,  0.0000,  0.0000)
  11 Pd     3.579617    0.379273   14.093580    ( 0.0000,  0.0000,  0.0000)
  12 Au     8.057859    2.188532   14.961673    ( 0.0000,  0.0000,  0.0000)
  13 Pd     6.288502   -0.022545   14.959840    ( 0.0000,  0.0000,  0.0000)
  14 Pd     1.802352    1.825993   15.751167    ( 0.0000,  0.0000,  0.0000)
  15 Pd     3.618131    4.014002   15.759190    ( 0.0000,  0.0000,  0.0000)
  16 Pd     4.526391    1.460107   16.501506    ( 0.0000,  0.0000,  0.0000)
  17 Pd     6.321852    3.688185   16.621391    ( 0.0000,  0.0000,  0.0000)
  18 Pd     7.163179    1.095832   17.473315    ( 0.0000,  0.0000,  0.0000)
  19 Pd     8.982184    3.305279   17.463503    ( 0.0000,  0.0000,  0.0000)
  20 Au     0.837467    0.783195   18.326049    ( 0.0000,  0.0000,  0.0000)
  21 Pd     2.679056    2.939816   18.173734    ( 0.0000,  0.0000,  0.0000)
  22 Pd     3.590004    0.404642   18.899269    ( 0.0000,  0.0000,  0.0000)
  23 Pd     5.293835    2.556194   18.872452    ( 0.0000,  0.0000,  0.0000)
  24 Au     9.873728    4.354664    9.941967    ( 0.0000,  0.0000,  0.0000)
  25 Pd    11.668154    6.605320   10.040533    ( 0.0000,  0.0000,  0.0000)
  26 Pd     7.185468    8.442025   10.855867    ( 0.0000,  0.0000,  0.0000)
  27 Au     5.411470    6.234814   10.652788    ( 0.0000,  0.0000,  0.0000)
  28 Pd     9.832171    8.105247   11.552992    ( 0.0000,  0.0000,  0.0000)
  29 Pd     8.056570    5.893440   11.553061    ( 0.0000,  0.0000,  0.0000)
  30 Au    12.539855    7.745913   12.480631    ( 0.0000,  0.0000,  0.0000)
  31 Au    10.717549    5.519378   12.456014    ( 0.0000,  0.0000,  0.0000)
  32 Pd     6.299567    7.332457   13.279938    ( 0.0000,  0.0000,  0.0000)
  33 Au     4.510154    5.102277   13.274910    ( 0.0000,  0.0000,  0.0000)
  34 Pd     8.942667    6.977898   14.086911    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.185600    4.772690   14.115802    ( 0.0000,  0.0000,  0.0000)
  36 Pd    11.696871    6.589444   14.972255    ( 0.0000,  0.0000,  0.0000)
  37 Au     9.884520    4.415970   14.975764    ( 0.0000,  0.0000,  0.0000)
  38 Pd     5.400632    6.231036   15.744345    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.164102    8.407866   15.757290    ( 0.0000,  0.0000,  0.0000)
  40 Pd     8.053486    5.807342   16.634140    ( 0.0000,  0.0000,  0.0000)
  41 Au     9.889780    8.028990   16.521897    ( 0.0000,  0.0000,  0.0000)
  42 Pd    10.789361    5.469487   17.503073    ( 0.0000,  0.0000,  0.0000)
  43 Pd    12.610371    7.678168   17.484076    ( 0.0000,  0.0000,  0.0000)
  44 Pd     4.498748    5.135550   18.144023    ( 0.0000,  0.0000,  0.0000)
  45 Pd     6.283491    7.312882   18.163537    ( 0.0000,  0.0000,  0.0000)
  46 Pd     8.967812    7.020044   18.915653    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.975931    0.000000    0.000000    42     0.1655
  2. axis:    yes    7.180745    8.794580    0.000000    54     0.1629
  3. axis:    no     0.000000    0.000000   29.013253   135     0.2149

  Lengths:   8.975931  11.353754  29.013253
  Angles:   90.000000  90.000000  50.768480

Effective grid spacing dv^(1/3) = 0.1956

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 22:58:44  -134.275858  -2.71
iter:   2 23:00:17  -134.833131  -3.18  -2.75
iter:   3 23:01:51  -134.250504  -3.48  -2.32
iter:   4 23:03:25  -134.182683  -4.22  -2.81
iter:   5 23:04:56  -134.180940c -4.76  -3.25
iter:   6 23:06:25  -134.180005c -5.00  -3.38
iter:   7 23:07:56  -134.179944c -5.06  -3.48
iter:   8 23:09:26  -134.180115c -5.37  -3.64
iter:   9 23:10:57  -134.180200c -5.66  -3.76
iter:  10 23:12:27  -134.179813c -5.68  -3.89
iter:  11 23:13:58  -134.180359c -6.06  -3.81
iter:  12 23:15:28  -134.179874c -6.32  -3.97
iter:  13 23:16:58  -134.179775c -6.64  -4.17c
iter:  14 23:18:31  -134.179841c -6.66  -4.26c
iter:  15 23:20:03  -134.179861c -6.78  -4.42c
iter:  16 23:21:36  -134.179866c -7.16  -4.55c
iter:  17 23:23:07  -134.179951c -7.42c -4.60c

Converged after 17 iterations.

Dipole moment: (-156.914639, 2.133183, 0.097367) |e|*Ang

Energy contributions relative to reference atoms: (reference = -10243855.690308)

Kinetic:       -235.352468
Potential:      +36.937587
External:        +0.000000
XC:             +68.887951
Entropy (-ST):   -2.524460
Local:           -3.390791
--------------------------
Free energy:   -135.442181
Extrapolated:  -134.179951

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   349     -0.47937    1.46551
  0   350     -0.44931    1.33992
  0   351     -0.43160    1.25941
  0   352     -0.41454    1.17826

  1   349     -0.41897    1.19961
  1   350     -0.39746    1.09450
  1   351     -0.37842    0.99957
  1   352     -0.37032    0.95911


Fermi level: -0.37851

No gap

Forces in eV/Ang:
  0 Pd    0.00030   -0.00752    0.03451
  1 Pd   -0.00758   -0.00251    0.02290
  2 Pd    0.00067   -0.01009   -0.02414
  3 Pd   -0.00320   -0.00934    0.05310
  4 Au   -0.00153   -0.00725   -0.03408
  5 Pd    0.01293    0.00715    0.02963
  6 Pd    0.01184   -0.02675   -0.00667
  7 Pd    0.02137   -0.02999   -0.04043
  8 Pd   -0.00982   -0.00599    0.01545
  9 Pd   -0.01627    0.00496    0.01617
 10 Pd   -0.00567    0.01824   -0.03797
 11 Pd   -0.00932    0.01666   -0.02678
 12 Au    0.02489   -0.03029    0.04564
 13 Pd    0.00393   -0.00158    0.00326
 14 Pd    0.00693   -0.01728   -0.00880
 15 Pd    0.02934    0.01864   -0.03031
 16 Pd    0.00459   -0.00496    0.02130
 17 Pd   -0.03007   -0.01880   -0.03288
 18 Pd   -0.02400   -0.00667    0.00596
 19 Pd   -0.03190    0.01017    0.04286
 20 Au   -0.02378   -0.00360   -0.00410
 21 Pd    0.01458    0.01996   -0.00968
 22 Pd   -0.01806    0.00746   -0.02152
 23 Pd   -0.00874   -0.00889    0.00550
 24 Au   -0.01053    0.03208    0.03358
 25 Pd   -0.02671    0.01599   -0.00798
 26 Pd   -0.00768    0.01101    0.02260
 27 Au    0.00167    0.00179   -0.00001
 28 Pd   -0.00008   -0.00189    0.04188
 29 Pd   -0.00125   -0.02055   -0.01925
 30 Au    0.03800    0.02608   -0.03294
 31 Au   -0.00120   -0.01147   -0.01181
 32 Pd    0.00765    0.00591    0.01672
 33 Au    0.01830    0.00326    0.01519
 34 Pd   -0.03262    0.00908   -0.03796
 35 Pd   -0.02935    0.00734   -0.04063
 36 Pd    0.04373   -0.00221   -0.00015
 37 Au    0.01397   -0.04013    0.03815
 38 Pd    0.02159   -0.03434    0.00138
 39 Pd   -0.00842    0.00211   -0.00146
 40 Pd    0.00871    0.03963   -0.00404
 41 Au    0.01616    0.00282    0.02382
 42 Pd   -0.00385    0.04299   -0.01005
 43 Pd   -0.00060    0.00402   -0.04670
 44 Pd    0.01196   -0.00366   -0.01194
 45 Pd   -0.01197   -0.01065    0.01245
 46 Pd    0.01743    0.00240    0.02851

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                                   
                                                   
                                                   
                                                   
                                                   
                         Pd     Pd                 
                                         Pd        
                    Pd             Pd              
              Pd    Pd      PPd                    
        Au    Pd       Pd     Pd                   
                 Pd    PPd            Pd           
                 Pd      Pd     Au                 
           Pd             Pd             Au        
                    Au     Au      Pd              
              Pd    PPd     PPd    Au              
              Pd       Au    Pd                    
        Pd             APd            Pd           
                 Pd             Au                 
           Pd                                      
                           Pd                      
                     Pd                            
                                                   
                                                   
                                                   
                                                   

Positions:
   0 Pd     6.308977    0.026615   10.073535    ( 0.0000,  0.0000,  0.0000)
   1 Pd     8.143994    2.114243   10.049793    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.568368    4.025143   10.791409    ( 0.0000,  0.0000,  0.0000)
   3 Pd     1.799673    1.823830   10.849757    ( 0.0000,  0.0000,  0.0000)
   4 Au     6.286022    3.641237   11.438494    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.447519    1.485077   11.541467    ( 0.0000,  0.0000,  0.0000)
   6 Pd     8.942954    3.303788   12.464086    ( 0.0000,  0.0000,  0.0000)
   7 Pd     7.168656    1.120739   12.488193    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.692300    2.900471   13.279925    ( 0.0000,  0.0000,  0.0000)
   9 Pd     0.900021    0.729459   13.298750    ( 0.0000,  0.0000,  0.0000)
  10 Pd     5.384881    2.543891   14.078821    ( 0.0000,  0.0000,  0.0000)
  11 Pd     3.578390    0.380558   14.087812    ( 0.0000,  0.0000,  0.0000)
  12 Au     8.060957    2.186371   14.969776    ( 0.0000,  0.0000,  0.0000)
  13 Pd     6.290850   -0.023887   14.962037    ( 0.0000,  0.0000,  0.0000)
  14 Pd     1.802409    1.823461   15.752611    ( 0.0000,  0.0000,  0.0000)
  15 Pd     3.623023    4.014976   15.754620    ( 0.0000,  0.0000,  0.0000)
  16 Pd     4.527359    1.459084   16.498304    ( 0.0000,  0.0000,  0.0000)
  17 Pd     6.319612    3.685735   16.617208    ( 0.0000,  0.0000,  0.0000)
  18 Pd     7.160595    1.094685   17.477042    ( 0.0000,  0.0000,  0.0000)
  19 Pd     8.979088    3.306597   17.471788    ( 0.0000,  0.0000,  0.0000)
  20 Au     0.834494    0.783579   18.329706    ( 0.0000,  0.0000,  0.0000)
  21 Pd     2.678682    2.941465   18.171770    ( 0.0000,  0.0000,  0.0000)
  22 Pd     3.586040    0.406518   18.893564    ( 0.0000,  0.0000,  0.0000)
  23 Pd     5.289786    2.556408   18.871571    ( 0.0000,  0.0000,  0.0000)
  24 Au     9.872835    4.356815    9.945081    ( 0.0000,  0.0000,  0.0000)
  25 Pd    11.665202    6.607358   10.040751    ( 0.0000,  0.0000,  0.0000)
  26 Pd     7.184327    8.441350   10.860461    ( 0.0000,  0.0000,  0.0000)
  27 Au     5.410895    6.234931   10.649577    ( 0.0000,  0.0000,  0.0000)
  28 Pd     9.832573    8.105074   11.556129    ( 0.0000,  0.0000,  0.0000)
  29 Pd     8.056127    5.890561   11.548311    ( 0.0000,  0.0000,  0.0000)
  30 Au    12.543641    7.746805   12.479474    ( 0.0000,  0.0000,  0.0000)
  31 Au    10.716193    5.518340   12.456839    ( 0.0000,  0.0000,  0.0000)
  32 Pd     6.298825    7.332117   13.279811    ( 0.0000,  0.0000,  0.0000)
  33 Au     4.512299    5.103020   13.270990    ( 0.0000,  0.0000,  0.0000)
  34 Pd     8.938254    6.977246   14.082031    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.183416    4.772105   14.108975    ( 0.0000,  0.0000,  0.0000)
  36 Pd    11.702672    6.586744   14.973609    ( 0.0000,  0.0000,  0.0000)
  37 Au     9.886597    4.411960   14.982406    ( 0.0000,  0.0000,  0.0000)
  38 Pd     5.404395    6.226339   15.742799    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.164618    8.407430   15.759444    ( 0.0000,  0.0000,  0.0000)
  40 Pd     8.055515    5.810452   16.633388    ( 0.0000,  0.0000,  0.0000)
  41 Au     9.890944    8.028447   16.521125    ( 0.0000,  0.0000,  0.0000)
  42 Pd    10.789852    5.474649   17.505456    ( 0.0000,  0.0000,  0.0000)
  43 Pd    12.609923    7.678108   17.482709    ( 0.0000,  0.0000,  0.0000)
  44 Pd     4.500900    5.135082   18.143069    ( 0.0000,  0.0000,  0.0000)
  45 Pd     6.283329    7.311779   18.166295    ( 0.0000,  0.0000,  0.0000)
  46 Pd     8.968964    7.023882   18.919345    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.975931    0.000000    0.000000    42     0.1655
  2. axis:    yes    7.180745    8.794580    0.000000    54     0.1629
  3. axis:    no     0.000000    0.000000   29.013253   135     0.2149

  Lengths:   8.975931  11.353754  29.013253
  Angles:   90.000000  90.000000  50.768480

Effective grid spacing dv^(1/3) = 0.1956

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 23:25:19  -134.400387  -3.23
iter:   2 23:26:49  -138.373633  -2.59  -2.54
iter:   3 23:28:21  -134.279775  -3.03  -1.97
iter:   4 23:29:54  -134.190861  -3.90  -2.82
iter:   5 23:31:24  -134.185657c -4.62  -3.38
iter:   6 23:32:55  -134.184974c -5.25  -3.58
iter:   7 23:34:28  -134.184590c -5.47  -3.66
iter:   8 23:36:02  -134.184361c -5.82  -3.85
iter:   9 23:37:35  -134.184974c -6.12  -3.93
iter:  10 23:39:05  -134.184359c -6.40  -4.00
iter:  11 23:40:38  -134.184633c -6.37  -4.12c
iter:  12 23:42:09  -134.184530c -6.73  -4.28c
iter:  13 23:43:41  -134.184594c -7.04  -4.40c
iter:  14 23:45:12  -134.184454c -7.20  -4.36c
iter:  15 23:46:43  -134.184508c -7.37  -4.60c
iter:  16 23:48:15  -134.184358c -7.28  -4.60c
iter:  17 23:49:47  -134.184438c -7.95c -4.76c

Converged after 17 iterations.

Dipole moment: (-156.824755, 2.221378, 0.096187) |e|*Ang

Energy contributions relative to reference atoms: (reference = -10243855.690308)

Kinetic:       -235.129265
Potential:      +36.720974
External:        +0.000000
XC:             +68.860818
Entropy (-ST):   -2.524004
Local:           -3.374965
--------------------------
Free energy:   -135.446440
Extrapolated:  -134.184438

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   349     -0.48099    1.46972
  0   350     -0.44987    1.34004
  0   351     -0.43189    1.25827
  0   352     -0.41523    1.17896

  1   349     -0.41919    1.19810
  1   350     -0.39713    1.09021
  1   351     -0.37868    0.99816
  1   352     -0.37046    0.95711


Fermi level: -0.37904

No gap

Forces in eV/Ang:
  0 Pd   -0.00351   -0.00056    0.00063
  1 Pd   -0.00460    0.00877    0.00984
  2 Pd    0.00087   -0.01828   -0.01004
  3 Pd   -0.00158   -0.00738    0.04035
  4 Au    0.00072   -0.00865   -0.02833
  5 Pd    0.00239    0.01234    0.02209
  6 Pd    0.00459   -0.02718    0.00196
  7 Pd    0.02583   -0.00913   -0.01378
  8 Pd    0.00159   -0.00345    0.00180
  9 Pd   -0.00551   -0.00836    0.00844
 10 Pd    0.00547   -0.01768   -0.00582
 11 Pd    0.00439   -0.00089    0.00893
 12 Au   -0.00979   -0.00765    0.00768
 13 Pd   -0.00873    0.01097   -0.01727
 14 Pd    0.02068   -0.00559    0.00552
 15 Pd    0.00281    0.00183    0.00102
 16 Pd    0.00125    0.00862    0.01095
 17 Pd   -0.00344   -0.00814   -0.02050
 18 Pd   -0.01743    0.00044    0.00660
 19 Pd   -0.02702    0.02024    0.02434
 20 Au   -0.02479    0.00523   -0.01331
 21 Pd    0.00392    0.03025   -0.02545
 22 Pd   -0.00428    0.00782    0.00297
 23 Pd    0.00676   -0.00890    0.00605
 24 Au   -0.01422    0.01804    0.02630
 25 Pd   -0.02198    0.01260   -0.00090
 26 Pd    0.01049    0.00779    0.01433
 27 Au    0.00007   -0.00374    0.00162
 28 Pd   -0.00839   -0.00384    0.03458
 29 Pd   -0.00342   -0.00607   -0.01099
 30 Au    0.00758    0.00882   -0.01053
 31 Au    0.01080   -0.00150    0.00607
 32 Pd    0.01479    0.00949    0.01783
 33 Au   -0.00138    0.00200   -0.00168
 34 Pd    0.00150    0.00318   -0.00681
 35 Pd    0.01299   -0.00858   -0.00515
 36 Pd    0.00162    0.01898   -0.02195
 37 Au   -0.00920   -0.00578    0.01751
 38 Pd    0.02150   -0.00537    0.01473
 39 Pd   -0.01200   -0.00921    0.00168
 40 Pd   -0.00197    0.01230   -0.00440
 41 Au    0.00918   -0.00434   -0.01056
 42 Pd   -0.00257    0.01101   -0.01411
 43 Pd    0.01080   -0.00114   -0.04028
 44 Pd    0.00265   -0.00069   -0.01543
 45 Pd   -0.01302   -0.01365   -0.00290
 46 Pd    0.01198   -0.00988    0.01257

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    45.407    45.407   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                    204.847   204.847   1.2% |
Hamiltonian:                                28.201     0.151   0.0% |
 Atomic:                                     3.104     1.686   0.0% |
  XC Correction:                             1.418     1.418   0.0% |
 Calculate atomic Hamiltonians:             16.808    16.808   0.1% |
 Communicate:                                0.009     0.009   0.0% |
 Initialize Hamiltonian:                     0.001     0.001   0.0% |
 Poisson:                                    0.097     0.097   0.0% |
 XC 3D grid:                                 8.030     8.030   0.0% |
LCAO initialization:                       130.006     0.435   0.0% |
 LCAO eigensolver:                           7.638     0.002   0.0% |
  Calculate projections:                     0.067     0.067   0.0% |
  DenseAtomicCorrection:                     0.067     0.067   0.0% |
  Distribute overlap matrix:                 0.006     0.006   0.0% |
  Orbital Layouts:                           0.465     0.465   0.0% |
  Potential matrix:                          6.989     6.989   0.0% |
  Sum over cells:                            0.043     0.043   0.0% |
 LCAO to grid:                             120.042   120.042   0.7% |
 Set positions (LCAO WFS):                   1.890     0.421   0.0% |
  Basic WFS set positions:                   0.003     0.003   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.988     0.988   0.0% |
  ST tci:                                    0.381     0.381   0.0% |
  mktci:                                     0.097     0.097   0.0% |
PWDescriptor:                                0.714     0.714   0.0% |
Redistribute:                                0.060     0.060   0.0% |
SCF-cycle:                               16893.789   358.420   2.1% ||
 Davidson:                               14700.770  2990.517  17.2% |------|
  Apply H:                                1299.429  1279.402   7.4% |--|
   HMM T:                                   20.027    20.027   0.1% |
  Subspace diag:                          2488.325     0.051   0.0% |
   calc_h_matrix:                         1755.216   435.465   2.5% ||
    Apply H:                              1319.752  1297.909   7.5% |--|
     HMM T:                                 21.843    21.843   0.1% |
   diagonalize:                             38.850    38.850   0.2% |
   rotate_psi:                             694.207   694.207   4.0% |-|
  calc. matrices:                         5365.933  2817.502  16.2% |-----|
   Apply H:                               2548.431  2508.556  14.4% |-----|
    HMM T:                                  39.875    39.875   0.2% |
  diagonalize:                            1194.094  1194.094   6.9% |--|
  rotate_psi:                             1362.472  1362.472   7.8% |--|
 Density:                                 1122.023     0.011   0.0% |
  Atomic density matrices:                   2.532     2.532   0.0% |
  Mix:                                     419.647   419.647   2.4% ||
  Multipole moments:                         0.220     0.220   0.0% |
  Pseudo density:                          699.614   699.602   4.0% |-|
   Symmetrize density:                       0.012     0.012   0.0% |
 Hamiltonian:                              655.844     3.318   0.0% |
  Atomic:                                   97.497    67.319   0.4% |
   XC Correction:                           30.177    30.177   0.2% |
  Calculate atomic Hamiltonians:           377.061   377.061   2.2% ||
  Communicate:                               0.263     0.263   0.0% |
  Poisson:                                   2.127     2.127   0.0% |
  XC 3D grid:                              175.576   175.576   1.0% |
 Orthonormalize:                            56.731     0.004   0.0% |
  calc_s_matrix:                             9.581     9.581   0.1% |
  inverse-cholesky:                          0.791     0.791   0.0% |
  projections:                              31.045    31.045   0.2% |
  rotate_psi_s:                             15.310    15.310   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      73.371    73.371   0.4% |
-------------------------------------------------------------------
Total:                                             17376.398 100.0%

Memory usage: 1.29 GiB
Date: Wed Mar 22 23:50:14 2023
