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

User:   lacmarco@node047.cluster
Date:   Mon Mar 27 09:55:03 2023
Arch:   x86_64
Pid:    4604
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: -9041063.528220

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): 35093, 35158
  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: 40*40*140 grid
  Fine grid: 80*80*280 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 80*80*280 grid
  Using the RPBE Exchange-Correlation functional
  External potential:
    NoExternalPotential
 

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 181.61 MiB
  Calculator: 504.68 MiB
    Density: 54.04 MiB
      Arrays: 22.22 MiB
      Localized functions: 23.28 MiB
      Mixer: 8.54 MiB
    Hamiltonian: 15.09 MiB
      Arrays: 14.53 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.57 MiB
    Wavefunctions: 435.54 MiB
      Arrays psit_nG: 199.03 MiB
      Eigensolver: 222.73 MiB
      Projections: 2.09 MiB
      Projectors: 2.82 MiB
      PW-descriptor: 8.88 MiB

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

Number of atoms: 41
Number of atomic orbitals: 465
Number of bands in calculation: 371
Number of valence electrons: 611
Bands to converge: occupied

... initialized

Initializing position-dependent things.

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

      .-------------------.  
     /|                   |  
    / |                   |  
   /  |                   |  
  /   |                   |  
 *    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |         Au        |  
 |    |Pd        Pd       |  
 |    |    Pd        Au   |  
 |    |                   |  
 |   Au     Pd Pd     Pd  |  
 |    AuPd      PdPd      |  
 |    |Pd Pd     Pd Au    |  
 | Pd |    PdPd      Pd   |  
 |   Pd     Au Pd     Au  |  
 |    |                   |  
 |    PdPd      PdPd      |  
 |    |Pd Pd     Pd Pd    |  
 | Au |    PdPd      Au   |  
 |   Pd        Pd         |  
 |    |                   |  
 |    | Pd        Pd      |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    .-------------------.  
 |   /                   /   
 |  /                   /    
 | /                   /     
 |/                   /      
 *-------------------*       

Positions:
   0 Pd     2.988209    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993657    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.988209    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.993657    0.000000   12.005447    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.988209    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.993657    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.988209    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.993657    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.988209    0.000000   18.021790    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993657    2.005447   18.021790    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.988209    4.010895   10.000000    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.993657    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.988209    6.016342   12.005447    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.993657    4.010895   12.005447    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.988209    4.010895   14.010895    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993657    6.016342   14.010895    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.988209    6.016342   16.016342    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.993657    4.010895   16.016342    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.988209    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993657    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993657    4.010895   20.027237    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.999104    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982762    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.999104    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.982762    0.000000   12.005447    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.999104    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982762    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.999104    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.982762    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.999104    0.000000   18.021790    ( 0.0000,  0.0000,  0.0000)
  30 Au     0.982762    2.005447   18.021790    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.999104    4.010895   10.000000    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.982762    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.999104    6.016342   12.005447    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.982762    4.010895   12.005447    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.999104    4.010895   14.010895    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982762    6.016342   14.010895    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.999104    6.016342   16.016342    ( 0.0000,  0.0000,  0.0000)
  38 Au     0.982762    4.010895   16.016342    ( 0.0000,  0.0000,  0.0000)
  39 Au     6.999104    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982762    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.021790    0.000000    0.000000    40     0.2005
  2. axis:    yes    0.000000    8.021790    0.000000    40     0.2005
  3. axis:    no     0.000000    0.000000   30.027237   140     0.2145

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.2051

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 09:57:15  -152.346047
iter:   2 09:57:52  -142.277006  -1.26  -1.20
iter:   3 09:58:32  -135.922210  -1.60  -1.27
iter:   4 09:59:14  -145.536562  -0.71  -1.31
iter:   5 09:59:57  -128.375618  -1.12  -1.43
iter:   6 10:02:05  -121.561788  -1.96  -1.70
iter:   7 10:02:48  -119.206954  -2.09  -1.83
iter:   8 10:03:33  -118.816420  -2.57  -1.90
iter:   9 10:04:14  -118.302624  -2.55  -1.97
iter:  10 10:04:57  -118.049027  -2.66  -2.06
iter:  11 10:05:43  -117.813332  -2.96  -2.17
iter:  12 10:06:26  -117.509914  -2.68  -2.25
iter:  13 10:07:08  -117.358842  -3.04  -2.37
iter:  14 10:07:51  -117.371270c -3.67  -2.54
iter:  15 10:08:33  -117.336144c -3.56  -2.55
iter:  16 10:09:15  -117.310800c -4.06  -2.65
iter:  17 10:09:57  -117.313381c -4.10  -2.76
iter:  18 10:10:41  -117.305562c -4.05  -2.79
iter:  19 10:11:23  -117.302133c -4.41  -2.94
iter:  20 10:12:05  -117.301844c -4.99  -3.02
iter:  21 10:12:48  -117.303810c -4.68  -3.10
iter:  22 10:13:30  -117.302744c -4.85  -3.21
iter:  23 10:14:11  -117.301477c -5.30  -3.30
iter:  24 10:14:53  -117.300125c -5.35  -3.43
iter:  25 10:15:36  -117.299461c -5.17  -3.65
iter:  26 10:16:19  -117.299386c -6.26  -3.94
iter:  27 10:17:01  -117.299126c -6.29  -4.02c
iter:  28 10:17:45  -117.299182c -6.64  -4.10c
iter:  29 10:18:27  -117.299083c -6.83  -4.15c
iter:  30 10:19:10  -117.299148c -6.66  -4.20c
iter:  31 10:19:55  -117.299151c -6.93  -4.31c
iter:  32 10:20:40  -117.299116c -7.00  -4.46c
iter:  33 10:21:22  -117.299136c -8.02c -4.78c

Converged after 33 iterations.

Dipole moment: (-3.346285, 0.083266, 0.048331) |e|*Ang

Energy contributions relative to reference atoms: (reference = -9041063.528220)

Kinetic:       -188.218936
Potential:      +18.094140
External:        +0.000000
XC:             +56.768156
Entropy (-ST):   -2.201456
Local:           -2.841768
--------------------------
Free energy:   -118.399863
Extrapolated:  -117.299136

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.32969    1.41177
  0   304     -0.31867    1.36500
  0   305     -0.28336    1.20321
  0   306     -0.25406    1.05952

  1   303     -0.28642    1.21784
  1   304     -0.26903    1.13366
  1   305     -0.25681    1.07324
  1   306     -0.23257    0.95220


Fermi level: -0.24214

No gap

Forces in eV/Ang:
  0 Pd    0.12113    0.12318   -0.02667
  1 Pd   -0.08721   -0.08985    0.19219
  2 Pd    0.11840    0.09638   -0.06741
  3 Pd   -0.00270    0.23492   -0.05795
  4 Pd    0.12438    0.14328    0.26041
  5 Pd   -0.12384    0.01213   -0.16310
  6 Pd    0.24970   -0.15460   -0.10473
  7 Pd   -0.12484   -0.13254    0.17867
  8 Pd    0.05556   -0.06973   -0.20037
  9 Pd   -0.21267   -0.20237    0.12300
 10 Pd   -0.00928   -0.12822    0.10582
 11 Pd   -0.07977    0.07511   -0.06811
 12 Au    0.16670   -0.15736   -0.12702
 13 Pd   -0.17497   -0.21565    0.00165
 14 Pd    0.10007   -0.12231    0.01205
 15 Pd    0.01353   -0.03515    0.30746
 16 Pd    0.10017    0.16547    0.05717
 17 Pd   -0.29519    0.14017   -0.18093
 18 Pd    0.06632    0.06019    0.14193
 19 Pd   -0.09765    0.21785   -0.03508
 20 Au   -0.11088   -0.00745   -0.47144
 21 Pd   -0.12808    0.12247   -0.03278
 22 Pd    0.08598    0.04661    0.04970
 23 Pd   -0.10694   -0.04832    0.01916
 24 Au    0.00987    0.33262   -0.13846
 25 Pd   -0.12948    0.00777    0.12748
 26 Pd    0.12273    0.00958   -0.17229
 27 Au   -0.36415   -0.40727   -0.29853
 28 Pd    0.11994   -0.28005   -0.02966
 29 Pd   -0.04602   -0.20669   -0.06630
 30 Au    0.31569   -0.33437    0.65619
 31 Au    0.01581   -0.17042   -0.47417
 32 Pd    0.07217   -0.05314   -0.20365
 33 Au   -0.16209    0.04890    0.05618
 34 Pd    0.16591   -0.22825    0.01625
 35 Pd   -0.11441    0.00234   -0.14334
 36 Pd   -0.00100   -0.00857    0.27188
 37 Pd   -0.09259    0.30610   -0.05325
 38 Au    0.35983    0.38369   -0.15686
 39 Au    0.00614    0.28539    0.78432
 40 Pd    0.08627    0.23771   -0.09602

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
      .-------------------.  
     /|                   |  
    / |                   |  
   /  |                   |  
  /   |                   |  
 *    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |      Pd Au     Pd |  
 |    |Pd        Pd       |  
 |    | Pd Pd     Pd Au   |  
 |   Au     Pd            |  
 |    |        Pd     Pd  |  
 |    Au        Pd        |  
 |    |Pd Pd     Pd Au    |  
 |    |    Pd        Pd   |  
 |    |     Au        Au  |  
 |   Pd        Pd         |  
 |    PdPd      PdPd      |  
 |    |Pd Pd     Pd Pd    |  
 | Au |    PdPd      Au   |  
 |   Pd        Pd         |  
 |    |                   |  
 |    | Pd        Pd      |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    .-------------------.  
 |   /                   /   
 |  /                   /    
 | /                   /     
 |/                   /      
 *-------------------*       

Positions:
   0 Pd     3.000322    0.012318    9.997333    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.984936    1.996462   10.019219    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.000049    2.015085   11.998707    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.993386    0.023492   11.999652    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.000647    0.014328   14.036936    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.981272    2.006660   13.994585    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.013179    1.989987   16.005869    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.981172   -0.013254   16.034209    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.993765   -0.006973   18.001753    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.972389    1.985211   18.034090    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.987282    3.998073   10.010582    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.985679    6.023854    9.993189    ( 0.0000,  0.0000,  0.0000)
  12 Au     3.004880    6.000606   11.992745    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.976160    3.989330   12.005612    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.998217    3.998664   14.012100    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.995009    6.012827   14.041641    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.998226    6.032889   16.022059    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.964137    4.024912   15.998249    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.994842    4.016914   18.035983    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.983892    6.038127   18.018282    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.982569    4.010150   19.980093    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.986296    0.012247    9.996722    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.991360    2.010108   10.004970    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.988410    2.000616   12.007364    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.983749    0.033262   11.991601    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.986156    0.000777   14.023643    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.995034    2.006406   13.993666    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.962689    1.964720   15.986489    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.994756   -0.028005   16.013377    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.994502   -0.020669   18.015159    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.014331    1.972011   18.087408    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.000684    3.993853    9.952583    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.989979    6.011028    9.979635    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.982895    6.021232   12.011065    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.999353    3.988070   12.007072    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.987662    4.011129   13.996560    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982662    6.015485   14.038083    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.989844    6.046952   16.011017    ( 0.0000,  0.0000,  0.0000)
  38 Au     1.018745    4.049264   16.000656    ( 0.0000,  0.0000,  0.0000)
  39 Au     6.999718    4.039434   18.100221    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.991389    6.040113   18.012187    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.021790    0.000000    0.000000    40     0.2005
  2. axis:    yes    0.000000    8.021790    0.000000    40     0.2005
  3. axis:    no     0.000000    0.000000   30.027237   140     0.2145

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.2051

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:22:28  -120.705867  -1.50
iter:   2 10:23:11  -118.177407  -2.15  -1.99
iter:   3 10:23:54  -118.177957  -2.71  -2.33
iter:   4 10:24:38  -118.442300c -2.94  -2.25
iter:   5 10:25:23  -117.768516  -3.07  -2.20
iter:   6 10:26:06  -117.543642  -3.02  -2.43
iter:   7 10:26:47  -117.523412c -3.57  -2.78
iter:   8 10:27:30  -117.517244c -4.34  -2.93
iter:   9 10:28:14  -117.514665c -4.49  -3.00
iter:  10 10:28:55  -117.540551c -4.47  -3.08
iter:  11 10:29:38  -117.510715c -4.38  -2.87
iter:  12 10:30:23  -117.510288c -5.07  -3.27
iter:  13 10:31:06  -117.510332c -5.16  -3.40
iter:  14 10:31:49  -117.509716c -5.20  -3.53
iter:  15 10:32:32  -117.509219c -5.32  -3.66
iter:  16 10:33:15  -117.512417c -5.60  -3.72
iter:  17 10:33:57  -117.508966c -5.77  -3.40
iter:  18 10:34:41  -117.508820c -6.30  -3.80
iter:  19 10:35:25  -117.508650c -6.16  -3.88
iter:  20 10:36:08  -117.508634c -6.54  -3.98
iter:  21 10:36:50  -117.508683c -6.33  -4.04c
iter:  22 10:37:33  -117.508770c -6.45  -4.20c
iter:  23 10:38:16  -117.508752c -6.80  -3.94
iter:  24 10:38:58  -117.508732c -6.92  -4.22c
iter:  25 10:39:42  -117.508715c -6.76  -4.36c
iter:  26 10:40:26  -117.508703c -7.47c -4.49c

Converged after 26 iterations.

Dipole moment: (-2.990404, -1.157851, 0.049611) |e|*Ang

Energy contributions relative to reference atoms: (reference = -9041063.528220)

Kinetic:       -195.830505
Potential:      +24.597526
External:        +0.000000
XC:             +57.721609
Entropy (-ST):   -2.204269
Local:           -2.895199
--------------------------
Free energy:   -118.610838
Extrapolated:  -117.508703

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.33821    1.42565
  0   304     -0.32695    1.37846
  0   305     -0.28854    1.20334
  0   306     -0.25362    1.03161

  1   303     -0.29257    1.22256
  1   304     -0.27973    1.16076
  1   305     -0.26287    1.07771
  1   306     -0.22901    0.90881


Fermi level: -0.24730

No gap

Forces in eV/Ang:
  0 Pd    0.05735    0.05030   -0.03456
  1 Pd   -0.03821   -0.02582    0.01713
  2 Pd    0.02859   -0.03556   -0.00373
  3 Pd   -0.05157   -0.01172    0.05047
  4 Pd    0.02916   -0.03067   -0.06800
  5 Pd   -0.05367   -0.01858   -0.07573
  6 Pd   -0.04095    0.01108    0.05900
  7 Pd   -0.06986   -0.04737    0.06805
  8 Pd    0.03099   -0.04823   -0.00989
  9 Pd   -0.03981   -0.10768    0.00474
 10 Pd    0.00376   -0.08845   -0.03244
 11 Pd    0.00710    0.01114   -0.05162
 12 Au   -0.03494    0.10838    0.07595
 13 Pd    0.06701   -0.00746   -0.07747
 14 Pd    0.03520   -0.00052   -0.04500
 15 Pd   -0.04762    0.02904    0.01152
 16 Pd    0.09168    0.04964    0.02292
 17 Pd    0.05950   -0.00605    0.10976
 18 Pd   -0.09776    0.01236   -0.00849
 19 Pd   -0.05337    0.13130   -0.00594
 20 Au   -0.17958   -0.00101   -0.10693
 21 Pd   -0.06446    0.04754   -0.03220
 22 Pd    0.04603    0.04840   -0.04916
 23 Pd   -0.03724    0.06122   -0.01399
 24 Au    0.06271   -0.11588   -0.00528
 25 Pd   -0.02902   -0.05191   -0.09432
 26 Pd    0.00326    0.03104    0.09193
 27 Au    0.13204    0.22660    0.22403
 28 Pd    0.01940    0.10208    0.00639
 29 Pd    0.01271   -0.05014    0.00471
 30 Au    0.00883   -0.03394    0.09346
 31 Au   -0.00760   -0.03692   -0.18618
 32 Pd    0.00008   -0.01938   -0.00676
 33 Au    0.02235   -0.04314   -0.08081
 34 Pd   -0.05686    0.02881   -0.01498
 35 Pd    0.00100   -0.03705    0.02633
 36 Pd    0.04059    0.10294   -0.17230
 37 Pd   -0.04669   -0.08686    0.07762
 38 Au   -0.15949   -0.24441    0.26413
 39 Au    0.31304   -0.00948   -0.00125
 40 Pd    0.04494    0.10799   -0.01369

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
      .-------------------.  
     /|                   |  
    / |                   |  
   /  |                   |  
  /   |                   |  
 *    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |      Pd Au     Pd |  
 |    |Pd        Pd       |  
 |    | Pd Pd     Pd Au   |  
 |   Au     Pd        Pd  |  
 |    |        Pd         |  
 |    Au        Pd     Pd |  
 |    |Pd Pd     Pd Au    |  
 |    |    Pd        Pd   |  
 |   Pd     Au        Au  |  
 |    |        Pd         |  
 |    Pd Pd     Pd        |  
 |    |Pd Pd     Pd Pd    |  
 | Au |    PdPd      Au   |  
 |   Pd        Pd         |  
 |    |                   |  
 |    |  Pd       Pd      |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    .-------------------.  
 |   /                   /   
 |  /                   /    
 | /                   /     
 |/                   /      
 *-------------------*       

Positions:
   0 Pd     3.007622    0.018980    9.993644    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.979972    1.992635   10.023790    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.004578    2.013186   11.997319    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.988450    0.025979   12.003555    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.005321    0.013612   14.034472    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.974280    2.005083   13.984897    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.013118    1.988669   16.009865    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.972628   -0.019782   16.043407    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.997558   -0.012619   17.997744    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.965352    1.971888   18.036425    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.987497    3.987711   10.009125    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.985130    6.026062    9.987245    ( 0.0000,  0.0000,  0.0000)
  12 Au     3.004118    6.008482   11.998008    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.979839    3.985317   11.998284    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.003092    3.996740   14.008013    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.990696    6.015045   14.047446    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.008463    6.040137   16.025111    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.965261    4.026486   16.005896    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.986579    4.019010   18.037352    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.977330    6.053930   18.017181    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.963823    4.009939   19.962718    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.978215    0.018636    9.993163    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.997048    2.015417   10.001065    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.983236    2.005686   12.006329    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.989853    0.027360   11.988978    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.981417   -0.004032   14.016644    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.997224    2.009499   13.999752    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.969641    1.979988   16.003180    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.998435   -0.022607   16.013529    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.995003   -0.028597   18.014590    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.020008    1.963665   18.106336    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.000205    3.987737    9.927643    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.991092    6.008375    9.975872    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.982533    6.017887   12.004255    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.996498    3.987307   12.005899    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.986004    4.007647   13.996863    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.986500    6.025124   14.025895    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.983993    6.043398   16.017570    ( 0.0000,  0.0000,  0.0000)
  38 Au     1.009120    4.031944   16.023324    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.029527    4.042908   18.112122    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.996978    6.054007   18.009416    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.021790    0.000000    0.000000    40     0.2005
  2. axis:    yes    0.000000    8.021790    0.000000    40     0.2005
  3. axis:    no     0.000000    0.000000   30.027237   140     0.2145

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.2051

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:41:31  -118.207713  -2.46
iter:   2 10:42:14  -122.438566  -2.27  -2.31
iter:   3 10:42:57  -117.992462  -2.60  -1.91
iter:   4 10:43:40  -117.577442  -3.33  -2.44
iter:   5 10:44:23  -117.569106  -4.02  -2.96
iter:   6 10:45:06  -117.559817c -4.51  -3.01
iter:   7 10:45:49  -117.555313c -4.66  -3.20
iter:   8 10:46:32  -117.554108c -4.77  -3.36
iter:   9 10:47:13  -117.553700c -5.50  -3.52
iter:  10 10:47:56  -117.554355c -5.79  -3.60
iter:  11 10:48:36  -117.553958c -5.45  -3.60
iter:  12 10:49:20  -117.553843c -6.16  -3.86
iter:  13 10:50:04  -117.553657c -6.34  -4.01c
iter:  14 10:50:48  -117.553526c -6.28  -4.02c
iter:  15 10:51:32  -117.553448c -6.60  -4.25c
iter:  16 10:52:14  -117.553492c -6.91  -4.40c
iter:  17 10:52:57  -117.553475c -7.18  -4.53c
iter:  18 10:53:40  -117.553524c -7.46c -4.52c

Converged after 18 iterations.

Dipole moment: (-2.604250, -0.658144, 0.045387) |e|*Ang

Energy contributions relative to reference atoms: (reference = -9041063.528220)

Kinetic:       -198.100819
Potential:      +26.440494
External:        +0.000000
XC:             +58.079579
Entropy (-ST):   -2.202846
Local:           -2.871354
--------------------------
Free energy:   -118.654947
Extrapolated:  -117.553524

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34007    1.42327
  0   304     -0.32963    1.37949
  0   305     -0.29247    1.21045
  0   306     -0.25560    1.02929

  1   303     -0.29614    1.22794
  1   304     -0.28251    1.16242
  1   305     -0.26420    1.07219
  1   306     -0.23075    0.90536


Fermi level: -0.24974

No gap

Forces in eV/Ang:
  0 Pd    0.02752    0.01381   -0.03414
  1 Pd   -0.00855   -0.00923   -0.02779
  2 Pd   -0.05143   -0.01943    0.01554
  3 Pd    0.00543   -0.06290    0.01451
  4 Pd   -0.00717    0.00911   -0.02657
  5 Pd    0.03661   -0.01068    0.06558
  6 Pd   -0.02282    0.02862    0.03339
  7 Pd    0.06925    0.08250   -0.03723
  8 Pd   -0.00859   -0.01255    0.05290
  9 Pd    0.00871   -0.03243    0.00538
 10 Pd    0.00618   -0.01714   -0.00427
 11 Pd   -0.00540   -0.00399   -0.01544
 12 Au    0.01588   -0.00220   -0.02498
 13 Pd    0.05065    0.07156   -0.07126
 14 Pd   -0.03627    0.03158    0.03384
 15 Pd    0.01202   -0.01778   -0.03696
 16 Pd   -0.07063   -0.07769   -0.03686
 17 Pd    0.05730   -0.03471    0.11636
 18 Pd   -0.08075    0.01848   -0.02678
 19 Pd    0.00980   -0.00403    0.05361
 20 Au   -0.09247    0.00721   -0.11699
 21 Pd   -0.02860    0.03419    0.00633
 22 Pd    0.01765    0.00874   -0.01257
 23 Pd    0.04269    0.01747   -0.02757
 24 Au   -0.01962    0.00056   -0.04130
 25 Pd   -0.01420    0.03343    0.01782
 26 Pd   -0.01375   -0.00642    0.03393
 27 Au   -0.00152    0.03537    0.10078
 28 Pd   -0.03187    0.07382   -0.03424
 29 Pd    0.01707   -0.00729    0.00348
 30 Au    0.02151   -0.07650    0.09840
 31 Au   -0.00799   -0.01240   -0.11205
 32 Pd    0.00444   -0.02136    0.00620
 33 Au   -0.00913   -0.05348   -0.08951
 34 Pd   -0.04462    0.02833   -0.02398
 35 Pd    0.01080    0.01316    0.03717
 36 Pd    0.00452   -0.03889    0.02284
 37 Pd    0.02609   -0.06960    0.01118
 38 Au   -0.01763   -0.01649    0.03813
 39 Au    0.08708    0.01171    0.08258
 40 Pd    0.05410    0.08627   -0.01538

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
      .-------------------.  
     /|                   |  
    / |                   |  
   /  |                   |  
  /   |                   |  
 *    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |      Pd Au     Pd |  
 |    |Pd        Pd       |  
 |    | Pd Pd     Pd Au   |  
 |   Au     Pd        Pd  |  
 |    |        Pd         |  
 |    Au        Pd     Pd |  
 |    |Pd Pd     Pd Au    |  
 |    |    Pd        Pd   |  
 |   Pd     Au        Au  |  
 |    |        Pd         |  
 |    Pd Pd     Pd        |  
 |    |Pd Pd     Pd Pd    |  
 | Au |    PdPd      Au   |  
 |   Pd        Pd         |  
 |    |                   |  
 |    |  Pd       Pd      |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    .-------------------.  
 |   /                   /   
 |  /                   /    
 | /                   /     
 |/                   /      
 *-------------------*       

Positions:
   0 Pd     3.015129    0.024408    9.987363    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.976179    1.989252   10.023150    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.000452    2.010251   11.998402    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.986919    0.019998   12.006939    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.007102    0.015189   14.031150    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.975321    2.003028   13.988331    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.011321    1.991072   16.015540    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.977248   -0.012549   16.043550    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.998416   -0.017160   18.001895    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.962271    1.960617   18.038790    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.988360    3.980151   10.008426    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.983781    6.026906    9.982198    ( 0.0000,  0.0000,  0.0000)
  12 Au     3.006679    6.010977   11.996480    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.987292    3.991841   11.985623    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.001023    3.999416   14.010670    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.990393    6.013539   14.046726    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.004305    6.034023   16.021931    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.971842    4.023328   16.023739    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.972569    4.022679   18.035152    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.975173    6.061609   18.023550    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.942668    4.010755   19.937190    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.970180    0.026614    9.992225    ( 0.0000,  0.0000,  0.0000)
  22 Pd     1.002357    2.019191    9.997895    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.985979    2.010033   12.002336    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.990083    0.026402   11.981690    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.976775   -0.001777   14.016449    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.997011    2.010100   14.006110    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.970793    1.989529   16.022486    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.996502   -0.011851   16.008956    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.997245   -0.034151   18.014464    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.026948    1.948206   18.131032    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.999017    3.982508    9.899334    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.992533    6.004111    9.973986    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.980373    6.009593   11.989702    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.990165    3.989560   12.002301    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.986110    4.007814   14.001176    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.988821    6.024330   14.024724    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.984322    6.034158   16.021736    ( 0.0000,  0.0000,  0.0000)
  38 Au     1.004226    4.023841   16.037800    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.054456    4.047417   18.132196    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.007030    6.072780   18.005673    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.021790    0.000000    0.000000    40     0.2005
  2. axis:    yes    0.000000    8.021790    0.000000    40     0.2005
  3. axis:    no     0.000000    0.000000   30.027237   140     0.2145

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.2051

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:54:47  -118.326057  -2.49
iter:   2 10:55:31  -122.302115  -2.23  -2.27
iter:   3 10:56:14  -118.290887  -2.54  -1.94
iter:   4 10:56:55  -117.632865  -3.28  -2.34
iter:   5 10:57:35  -117.589875  -3.95  -2.88
iter:   6 10:58:15  -117.584552c -4.57  -3.15
iter:   7 10:58:56  -117.581657c -4.79  -3.28
iter:   8 10:59:36  -117.581086c -4.99  -3.41
iter:   9 11:00:17  -117.580619c -5.63  -3.53
iter:  10 11:00:57  -117.580948c -5.71  -3.60
iter:  11 11:01:38  -117.580683c -5.62  -3.70
iter:  12 11:02:18  -117.580655c -6.28  -3.84
iter:  13 11:02:59  -117.580619c -6.27  -3.97
iter:  14 11:03:39  -117.580477c -6.23  -3.97
iter:  15 11:04:20  -117.580597c -6.43  -4.17c
iter:  16 11:05:00  -117.580399c -7.08  -4.18c
iter:  17 11:05:41  -117.580382c -6.94  -4.33c
iter:  18 11:06:19  -117.580326c -6.91  -4.43c
iter:  19 11:06:59  -117.580330c -7.47c -4.61c

Converged after 19 iterations.

Dipole moment: (-2.271911, -1.498728, 0.041666) |e|*Ang

Energy contributions relative to reference atoms: (reference = -9041063.528220)

Kinetic:       -200.265421
Potential:      +28.177066
External:        +0.000000
XC:             +58.472141
Entropy (-ST):   -2.200081
Local:           -2.864075
--------------------------
Free energy:   -118.680370
Extrapolated:  -117.580330

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34261    1.41800
  0   304     -0.33137    1.37054
  0   305     -0.29882    1.22252
  0   306     -0.26001    1.03228

  1   303     -0.29945    1.22555
  1   304     -0.28723    1.16681
  1   305     -0.26739    1.06905
  1   306     -0.23543    0.90960


Fermi level: -0.25355

No gap

Forces in eV/Ang:
  0 Pd   -0.00466   -0.01442   -0.01562
  1 Pd    0.00408    0.00706   -0.01665
  2 Pd   -0.00935    0.02771    0.03641
  3 Pd    0.03445   -0.01497   -0.00638
  4 Pd   -0.02467    0.00148    0.01059
  5 Pd    0.03779    0.05440    0.04018
  6 Pd   -0.01108    0.01435    0.02304
  7 Pd    0.02726    0.00317   -0.03943
  8 Pd    0.01307   -0.00603    0.02252
  9 Pd    0.01196    0.00337    0.02120
 10 Pd    0.00523    0.01634    0.00481
 11 Pd   -0.01164   -0.00237   -0.03461
 12 Au   -0.01423   -0.03868   -0.04266
 13 Pd   -0.00287   -0.00341   -0.00180
 14 Pd   -0.00096   -0.00135    0.02106
 15 Pd    0.02962   -0.03697   -0.00295
 16 Pd   -0.01733   -0.01254   -0.02951
 17 Pd    0.01535   -0.00680    0.06765
 18 Pd   -0.07074    0.00479   -0.02691
 19 Pd    0.01999   -0.01756   -0.00426
 20 Au   -0.03125   -0.00154   -0.03896
 21 Pd   -0.00140    0.01103    0.00999
 22 Pd   -0.00318   -0.00907   -0.01166
 23 Pd    0.02044    0.00777   -0.01150
 24 Au   -0.05157   -0.00627   -0.01071
 25 Pd    0.03178    0.01217    0.01655
 26 Pd   -0.03110   -0.00135   -0.01426
 27 Au    0.00538   -0.01603    0.03029
 28 Pd   -0.02493    0.01981   -0.02791
 29 Pd    0.01115    0.00132    0.01538
 30 Au    0.00778   -0.05143    0.07214
 31 Au   -0.00267   -0.01196   -0.06308
 32 Pd    0.01008   -0.00800   -0.00262
 33 Au    0.02747    0.00579   -0.01662
 34 Pd   -0.00891    0.01256   -0.01172
 35 Pd    0.00179    0.00707    0.01874
 36 Pd   -0.04186   -0.03002    0.02736
 37 Pd    0.02636   -0.00619   -0.00187
 38 Au    0.00263    0.02482   -0.03624
 39 Au    0.00792    0.01771    0.09827
 40 Pd    0.02081    0.03982   -0.00236

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
      .-------------------.  
     /|                   |  
    / |                   |  
   /  |                   |  
  /   |                   |  
 *    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |      Pd Au     Pd |  
 |    |Pd        Pd       |  
 |    | Pd Pd     Pd Au   |  
 |   Au               Pd  |  
 |    |     Pd Pd         |  
 |    Au        Pd     Pd |  
 |    |Pd Pd     Pd Au    |  
 |    |    Pd        Pd   |  
 |   Pd     Au        Au  |  
 |    |        Pd         |  
 |    Pd Pd     Pd        |  
 |    |Pd Pd     Pd Pd    |  
 | Au |    PdPd      Au   |  
 |   Pd        Pd         |  
 |    |                   |  
 |    |  Pd       Pd      |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    .-------------------.  
 |   /                   /   
 |  /                   /    
 | /                   /     
 |/                   /      
 *-------------------*       

Positions:
   0 Pd     3.018823    0.025809    9.982024    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.974206    1.988179   10.021773    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.999089    2.013013   12.003829    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.990248    0.016653   12.008115    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.005272    0.015710   14.031068    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.979333    2.010172   13.992661    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.009115    1.993577   16.021884    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.980320   -0.011744   16.040290    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.001745   -0.021083   18.005392    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.961095    1.953846   18.043401    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.989474    3.977330   10.008537    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.981441    6.027447    9.973717    ( 0.0000,  0.0000,  0.0000)
  12 Au     3.005117    6.008123   11.991052    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.990163    3.992142   11.979389    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.001654    3.999462   14.013498    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993546    6.008121   14.047763    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.003356    6.032354   16.017379    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.976451    4.021804   16.041576    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.955244    4.025131   18.030825    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.975647    6.065849   18.024533    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.926107    4.010711   19.918469    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.965184    0.032562    9.992426    ( 0.0000,  0.0000,  0.0000)
  22 Pd     1.005135    2.020498    9.994055    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.988412    2.013979   11.999086    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.984105    0.023522   11.977075    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.978788   -0.000623   14.016908    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.992889    2.010966   14.007612    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.973894    1.994328   16.037692    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.993212   -0.004067   16.003380    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.999752   -0.037944   18.016579    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.031911    1.933277   18.154982    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.998116    3.977331    9.873956    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.994824    6.000832    9.971909    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.983738    6.006984   11.980804    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.986091    3.991898   11.999096    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.985924    4.007939   14.005392    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.984301    6.022304   14.025056    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.986720    6.029426   16.024591    ( 0.0000,  0.0000,  0.0000)
  38 Au     1.000427    4.020218   16.043204    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.071792    4.052504   18.156692    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.014856    6.088538   18.003368    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.021790    0.000000    0.000000    40     0.2005
  2. axis:    yes    0.000000    8.021790    0.000000    40     0.2005
  3. axis:    no     0.000000    0.000000   30.027237   140     0.2145

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.2051

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 11:07:59  -117.898733  -2.71
iter:   2 11:08:40  -119.120724  -2.68  -2.45
iter:   3 11:09:21  -118.069622  -2.92  -2.15
iter:   4 11:10:01  -117.603693  -3.68  -2.39
iter:   5 11:10:42  -117.597005  -4.38  -3.18
iter:   6 11:11:23  -117.594008c -4.82  -3.28
iter:   7 11:12:02  -117.592877c -4.96  -3.44
iter:   8 11:12:43  -117.592451c -5.44  -3.56
iter:   9 11:13:25  -117.592845c -5.66  -3.68
iter:  10 11:14:06  -117.592838c -5.93  -3.60
iter:  11 11:14:43  -117.592430c -5.82  -3.74
iter:  12 11:15:25  -117.592431c -6.23  -3.98
iter:  13 11:16:25  -117.592373c -6.67  -4.08c
iter:  14 11:17:20  -117.592266c -6.41  -4.16c
iter:  15 11:18:14  -117.592265c -6.59  -4.33c
iter:  16 11:19:09  -117.592135c -7.05  -4.36c
iter:  17 11:20:03  -117.592134c -7.08  -4.22c
iter:  18 11:20:58  -117.592120c -7.33  -4.67c
iter:  19 11:21:54  -117.592123c -7.93c -4.79c

Converged after 19 iterations.

Dipole moment: (-2.062310, -1.672673, 0.039585) |e|*Ang

Energy contributions relative to reference atoms: (reference = -9041063.528220)

Kinetic:       -202.572410
Potential:      +30.083859
External:        +0.000000
XC:             +58.870352
Entropy (-ST):   -2.197323
Local:           -2.875263
--------------------------
Free energy:   -118.690785
Extrapolated:  -117.592123

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34470    1.41354
  0   304     -0.33324    1.36495
  0   305     -0.30517    1.23760
  0   306     -0.26328    1.03275

  1   303     -0.30172    1.22122
  1   304     -0.29099    1.16964
  1   305     -0.27025    1.06751
  1   306     -0.23881    0.91065


Fermi level: -0.25673

No gap

Forces in eV/Ang:
  0 Pd   -0.02187   -0.01082    0.01910
  1 Pd    0.00145    0.01247   -0.00644
  2 Pd   -0.00546   -0.00575    0.01905
  3 Pd    0.00534    0.00566    0.01108
  4 Pd   -0.00605    0.00388   -0.00876
  5 Pd    0.03014    0.01987    0.03482
  6 Pd   -0.00480   -0.00798    0.00188
  7 Pd    0.01723    0.00431   -0.03804
  8 Pd    0.02553    0.00338   -0.00646
  9 Pd    0.01413    0.00796    0.00592
 10 Pd    0.00241    0.01268   -0.00554
 11 Pd    0.00490   -0.01101   -0.01515
 12 Au    0.00309   -0.01213    0.00267
 13 Pd    0.00918    0.00429    0.00902
 14 Pd   -0.00243    0.00446    0.02100
 15 Pd    0.02017   -0.02533   -0.01441
 16 Pd   -0.00935    0.00589   -0.02741
 17 Pd    0.00365    0.00221    0.03185
 18 Pd   -0.04226    0.00009   -0.01360
 19 Pd    0.02240   -0.02728   -0.02650
 20 Au   -0.00482   -0.00069    0.02252
 21 Pd    0.00809   -0.00340   -0.00833
 22 Pd   -0.00284   -0.01491    0.00172
 23 Pd   -0.00027    0.01491   -0.00759
 24 Au    0.00883    0.02224    0.00128
 25 Pd    0.00357    0.01787    0.01949
 26 Pd   -0.01557    0.00721   -0.02950
 27 Au   -0.00691   -0.03042   -0.00002
 28 Pd    0.00126   -0.00319   -0.00343
 29 Pd   -0.00379    0.00677    0.01413
 30 Au   -0.00888   -0.01490    0.02614
 31 Au   -0.00408    0.00550   -0.00054
 32 Pd   -0.00095   -0.00625   -0.02426
 33 Au   -0.01597   -0.01726   -0.00260
 34 Pd   -0.00361   -0.00909   -0.00881
 35 Pd   -0.00478    0.00379   -0.00004
 36 Pd   -0.01396   -0.02620    0.01855
 37 Pd    0.01665    0.01163    0.00664
 38 Au   -0.00011    0.03365   -0.04499
 39 Au   -0.00625    0.01380    0.05578
 40 Pd   -0.00390   -0.00274   -0.00458

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
      .-------------------.  
     /|                   |  
    / |                   |  
   /  |                   |  
  /   |                   |  
 *    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |      Pd Au     Pd |  
 |    |Pd        Pd       |  
 |    | Pd Pd     Pd Au   |  
 |   Au               Pd  |  
 |    |     Pd Pd         |  
 |    Au        Pd        |  
 |    |Pd Pd     Pd Au    |  
 |    |    Pd        Pd   |  
 |   Pd     Au Pd     Au  |  
 |    |                   |  
 |    Pd Pd     PdPd      |  
 |    |Pd Pd     Pd Pd    |  
 | Au |    PdPd      Au   |  
 |   Pd        Pd         |  
 |    |                   |  
 |    |  Pd       Pd      |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    .-------------------.  
 |   /                   /   
 |  /                   /    
 | /                   /     
 |/                   /      
 *-------------------*       

Positions:
   0 Pd     3.017485    0.025271    9.982861    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.973562    1.989246   10.020777    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.998260    2.012523   12.007429    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.991183    0.016409   12.010279    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.004378    0.016071   14.029274    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.983602    2.014062   13.997449    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.007619    1.993266   16.024135    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.982672   -0.011287   16.035327    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.005993   -0.022010   18.005345    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.962242    1.952245   18.045242    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.990073    3.977425   10.007559    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.981590    6.026276    9.969399    ( 0.0000,  0.0000,  0.0000)
  12 Au     3.004901    6.006947   11.990833    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.992684    3.992823   11.978262    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.001743    4.000091   14.016444    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.996380    6.003943   14.046229    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.002668    6.033039   16.013038    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.978580    4.021630   16.050820    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.944975    4.025851   18.028027    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.978097    6.064580   18.021458    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.919928    4.010620   19.915851    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.964418    0.033987    9.991122    ( 0.0000,  0.0000,  0.0000)
  22 Pd     1.005875    2.019379    9.992944    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.988649    2.017347   11.997214    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.984457    0.024672   11.976052    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.979356    0.001491   14.018655    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.990025    2.012348   14.005122    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.974881    1.993679   16.043335    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.992773   -0.001665   16.001693    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.999976   -0.038440   18.018877    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.032059    1.927553   18.164776    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.997312    3.976487    9.866218    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.995230    5.999077    9.968296    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.982615    6.003694   11.977551    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.984121    3.991563   11.997079    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.985295    4.008131   14.006629    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.981931    6.019409   14.025957    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.988969    6.028923   16.026809    ( 0.0000,  0.0000,  0.0000)
  38 Au     0.998090    4.021410   16.041239    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.077965    4.055355   18.169455    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.016647    6.092913   18.002099    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    8.021790    0.000000    0.000000    40     0.2005
  2. axis:    yes    0.000000    8.021790    0.000000    40     0.2005
  3. axis:    no     0.000000    0.000000   30.027237   140     0.2145

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.2051

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 11:23:14  -117.624854  -3.36
iter:   2 11:24:09  -117.842274  -3.62  -2.98
iter:   3 11:25:05  -117.618475c -3.91  -2.51
iter:   4 11:26:01  -117.597501c -4.74  -3.05
iter:   5 11:26:57  -117.596660c -5.40  -3.55
iter:   6 11:27:52  -117.595879c -5.34  -3.66
iter:   7 11:28:47  -117.595669c -5.76  -3.83
iter:   8 11:29:42  -117.595779c -6.14  -3.94
iter:   9 11:30:35  -117.596092c -6.06  -4.03c
iter:  10 11:31:31  -117.595707c -6.34  -3.70
iter:  11 11:32:27  -117.595731c -6.56  -4.23c
iter:  12 11:33:24  -117.595710c -7.07  -4.36c
iter:  13 11:34:20  -117.595666c -7.01  -4.41c
iter:  14 11:35:13  -117.595631c -7.20  -4.58c
iter:  15 11:36:06  -117.595668c -7.36  -4.74c
iter:  16 11:37:01  -117.595589c -7.79c -4.67c

Converged after 16 iterations.

Dipole moment: (-2.045279, -1.938849, 0.039689) |e|*Ang

Energy contributions relative to reference atoms: (reference = -9041063.528220)

Kinetic:       -203.642288
Potential:      +30.978212
External:        +0.000000
XC:             +59.044456
Entropy (-ST):   -2.195940
Local:           -2.877999
--------------------------
Free energy:   -118.693559
Extrapolated:  -117.595589

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34638    1.41334
  0   304     -0.33421    1.36164
  0   305     -0.30842    1.24474
  0   306     -0.26536    1.03453

  1   303     -0.30252    1.21684
  1   304     -0.29248    1.16849
  1   305     -0.27198    1.06754
  1   306     -0.24073    0.91160


Fermi level: -0.25845

No gap

Forces in eV/Ang:
  0 Pd   -0.00786   -0.00850    0.01569
  1 Pd   -0.00445    0.00485   -0.00277
  2 Pd    0.01627    0.01312    0.00062
  3 Pd    0.00654    0.01179   -0.00280
  4 Pd    0.00365    0.00629    0.00012
  5 Pd    0.00192    0.01049    0.01112
  6 Pd   -0.00499   -0.00545   -0.00666
  7 Pd    0.00178   -0.00557   -0.01233
  8 Pd    0.01802    0.00281   -0.01507
  9 Pd    0.00468    0.01004    0.00580
 10 Pd    0.00091    0.00538   -0.00378
 11 Pd   -0.00004   -0.00398   -0.00791
 12 Au    0.00371   -0.01228    0.00050
 13 Pd   -0.01629   -0.00970    0.00563
 14 Pd    0.00599   -0.00783    0.00641
 15 Pd    0.01074   -0.00855    0.00227
 16 Pd    0.00226    0.01110   -0.00837
 17 Pd   -0.00381    0.00050    0.00286
 18 Pd   -0.00529   -0.00223    0.00914
 19 Pd    0.00618   -0.01932   -0.01862
 20 Au   -0.01183    0.00054    0.01291
 21 Pd    0.00736   -0.00840   -0.00509
 22 Pd   -0.00378   -0.00399   -0.00446
 23 Pd   -0.00699   -0.00446   -0.01022
 24 Au   -0.01433   -0.00480    0.00505
 25 Pd    0.00855   -0.00166   -0.00673
 26 Pd   -0.00522    0.00840   -0.01154
 27 Au    0.00716   -0.00706   -0.00002
 28 Pd    0.00910   -0.00805    0.00622
 29 Pd   -0.00813    0.00380    0.01359
 30 Au   -0.00863   -0.00240    0.00542
 31 Au    0.00070    0.00359    0.00260
 32 Pd   -0.00417   -0.00093   -0.01729
 33 Au    0.00331    0.01487   -0.00054
 34 Pd    0.01020   -0.00442   -0.01163
 35 Pd   -0.00231   -0.00178    0.00221
 36 Pd   -0.01141    0.00147   -0.00847
 37 Pd    0.00583    0.01668    0.00000
 38 Au   -0.00902    0.00695   -0.01802
 39 Au    0.00100    0.00244    0.02756
 40 Pd   -0.00400   -0.00658   -0.00180

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    18.781    18.781   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                     94.515    94.515   1.5% ||
Hamiltonian:                                14.751     0.080   0.0% |
 Atomic:                                     3.221     2.250   0.0% |
  XC Correction:                             0.971     0.971   0.0% |
 Calculate atomic Hamiltonians:              7.510     7.510   0.1% |
 Communicate:                                0.025     0.025   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.052     0.052   0.0% |
 XC 3D grid:                                 3.864     3.864   0.1% |
LCAO initialization:                        80.018     0.715   0.0% |
 LCAO eigensolver:                           9.924     0.017   0.0% |
  Calculate projections:                     0.080     0.080   0.0% |
  DenseAtomicCorrection:                     0.079     0.079   0.0% |
  Distribute overlap matrix:                 0.025     0.025   0.0% |
  Orbital Layouts:                           0.618     0.618   0.0% |
  Potential matrix:                          9.018     9.018   0.1% |
  Sum over cells:                            0.088     0.088   0.0% |
 LCAO to grid:                              67.199    67.199   1.1% |
 Set positions (LCAO WFS):                   2.180     0.442   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     1.311     1.311   0.0% |
  ST tci:                                    0.330     0.330   0.0% |
  mktci:                                     0.094     0.094   0.0% |
PWDescriptor:                                0.721     0.721   0.0% |
Redistribute:                                0.039     0.039   0.0% |
SCF-cycle:                                5892.145   168.424   2.7% ||
 Davidson:                                4981.744   952.702  15.5% |-----|
  Apply H:                                 486.286   474.463   7.7% |--|
   HMM T:                                   11.823    11.823   0.2% |
  Subspace diag:                           839.798     0.037   0.0% |
   calc_h_matrix:                          614.740   134.443   2.2% ||
    Apply H:                               480.298   468.016   7.6% |--|
     HMM T:                                 12.282    12.282   0.2% |
   diagonalize:                             15.848    15.848   0.3% |
   rotate_psi:                             209.171   209.171   3.4% ||
  calc. matrices:                         1781.335   829.299  13.5% |----|
   Apply H:                                952.036   928.559  15.1% |-----|
    HMM T:                                  23.477    23.477   0.4% |
  diagonalize:                             542.254   542.254   8.8% |---|
  rotate_psi:                              379.369   379.369   6.2% |-|
 Density:                                  460.216     0.008   0.0% |
  Atomic density matrices:                   1.564     1.564   0.0% |
  Mix:                                     187.565   187.565   3.1% ||
  Multipole moments:                         0.144     0.144   0.0% |
  Pseudo density:                          270.935   270.927   4.4% |-|
   Symmetrize density:                       0.008     0.008   0.0% |
 Hamiltonian:                              262.926     1.690   0.0% |
  Atomic:                                   40.838    22.666   0.4% |
   XC Correction:                           18.172    18.172   0.3% |
  Calculate atomic Hamiltonians:           144.949   144.949   2.4% ||
  Communicate:                               0.119     0.119   0.0% |
  Poisson:                                   0.990     0.990   0.0% |
  XC 3D grid:                               74.340    74.340   1.2% |
 Orthonormalize:                            18.834     0.003   0.0% |
  calc_s_matrix:                             2.936     2.936   0.0% |
  inverse-cholesky:                          0.295     0.295   0.0% |
  projections:                              10.715    10.715   0.2% |
  rotate_psi_s:                              4.885     4.885   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      36.436    36.436   0.6% |
-------------------------------------------------------------------
Total:                                              6137.408 100.0%

Memory usage: 1022.46 MiB
Date: Mon Mar 27 11:37:21 2023
