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

User:   lacmarco@node030.cluster
Date:   Mon Mar 27 10:00:03 2023
Arch:   x86_64
Pid:    97739
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: 182.04 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        Au       |  
 |    |    Au        Au   |  
 |    |                   |  
 |   Pd     Au Pd     Pd  |  
 |    PdPd      PdPd      |  
 |    |Pd Au     Pd Pd    |  
 | Pd |    PdPd      Au   |  
 |   Pd     Pd Pd     Pd  |  
 |    |                   |  
 |    PdPd      PdPd      |  
 |    |Pd Pd     Au Pd    |  
 | Pd |    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 Au     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 Au     4.993657    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  12 Pd     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 Au     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 Au     2.988209    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  19 Au     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 Pd     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 Pd     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 Pd     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 Pd     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 Au     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 Pd     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 10:02:12  -153.412862
iter:   2 10:02:53  -147.608400  -1.23  -1.20
iter:   3 10:03:36  -154.327257  -1.48  -1.25
iter:   4 10:04:20  -137.454763  -1.54  -1.22
iter:   5 10:05:04  -127.827204  -0.79  -1.31
iter:   6 10:05:45  -123.450155  -1.43  -1.59
iter:   7 10:06:27  -121.127756  -2.10  -1.76
iter:   8 10:07:09  -119.984496  -1.89  -1.84
iter:   9 10:07:53  -118.999738  -2.54  -1.95
iter:  10 10:08:36  -118.477120  -2.53  -2.02
iter:  11 10:09:32  -118.207729  -2.85  -2.13
iter:  12 10:10:16  -118.004428  -3.12  -2.22
iter:  13 10:11:00  -117.969428c -2.75  -2.29
iter:  14 10:11:42  -118.068256c -3.38  -2.44
iter:  15 10:12:24  -117.871305c -3.81  -2.36
iter:  16 10:13:08  -117.853935c -3.56  -2.60
iter:  17 10:13:51  -117.834108c -3.81  -2.76
iter:  18 10:14:36  -117.831925c -4.17  -2.87
iter:  19 10:15:18  -117.823587c -4.54  -3.02
iter:  20 10:16:02  -117.821694c -4.57  -3.23
iter:  21 10:16:45  -117.824243c -5.44  -3.44
iter:  22 10:17:31  -117.821747c -5.31  -3.33
iter:  23 10:18:14  -117.822005c -5.53  -3.57
iter:  24 10:18:56  -117.821847c -6.15  -3.74
iter:  25 10:19:40  -117.821733c -5.65  -3.80
iter:  26 10:20:24  -117.821509c -6.18  -3.92
iter:  27 10:21:08  -117.821314c -6.43  -4.02c
iter:  28 10:21:51  -117.821530c -6.86  -4.01c
iter:  29 10:22:36  -117.821419c -6.47  -4.08c
iter:  30 10:23:19  -117.821514c -6.88  -4.29c
iter:  31 10:24:04  -117.821598c -7.03  -4.35c
iter:  32 10:24:47  -117.821623c -7.61c -4.40c

Converged after 32 iterations.

Dipole moment: (-1.892074, 0.048733, 0.104994) |e|*Ang

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

Kinetic:       -194.818144
Potential:      +22.803142
External:        +0.000000
XC:             +58.124122
Entropy (-ST):   -2.218050
Local:           -2.821718
--------------------------
Free energy:   -118.930648
Extrapolated:  -117.821623

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.31735    1.42857
  0   304     -0.29127    1.31646
  0   305     -0.28230    1.27558
  0   306     -0.25781    1.15907

  1   303     -0.25658    1.15305
  1   304     -0.23303    1.03653
  1   305     -0.20956    0.91937
  1   306     -0.18796    0.81337


Fermi level: -0.22573

No gap

Forces in eV/Ang:
  0 Pd   -0.07619    0.08130    0.20676
  1 Pd   -0.09533   -0.09203    0.21500
  2 Pd   -0.00604    0.00313   -0.09646
  3 Pd   -0.00593    0.16065    0.07806
  4 Pd    0.01456    0.00322   -0.28604
  5 Pd   -0.00664   -0.16130   -0.14869
  6 Au   -0.02216   -0.21502   -0.08551
  7 Pd    0.25123    0.14446    0.02986
  8 Pd   -0.11207    0.09041    0.03408
  9 Pd    0.10534   -0.31405    0.16010
 10 Pd   -0.09527   -0.09272    0.19110
 11 Au   -0.12826    0.14533   -0.31621
 12 Pd   -0.16194    0.00551    0.02945
 13 Pd   -0.27170   -0.16434    0.03361
 14 Pd   -0.01009    0.01231   -0.30577
 15 Pd   -0.00526    0.11901   -0.16212
 16 Au   -0.22267    0.21942   -0.26910
 17 Pd    0.14591   -0.17133   -0.36046
 18 Au   -0.44861   -0.16163    0.78290
 19 Au    0.17491    0.61975    0.58692
 20 Au   -0.04038   -0.15074   -0.24085
 21 Pd    0.08360    0.08496    0.16762
 22 Pd    0.08431   -0.07552    0.20417
 23 Pd    0.00674   -0.27663   -0.04869
 24 Pd    0.00124    0.00254   -0.05570
 25 Pd   -0.01312   -0.00015    0.00619
 26 Pd    0.00793   -0.13522   -0.18040
 27 Pd    0.04209   -0.28668    0.02302
 28 Pd   -0.25506   -0.00155    0.04292
 29 Pd    0.12168    0.08638   -0.20045
 30 Pd   -0.13098   -0.20767   -0.04460
 31 Au    0.14557   -0.13168   -0.36504
 32 Pd    0.09174    0.08720    0.20244
 33 Pd    0.15437    0.27738    0.07003
 34 Pd    0.27672   -0.00677   -0.05930
 35 Au    0.00708    0.01173    0.00343
 36 Pd    0.01889    0.12393   -0.14516
 37 Pd    0.17708    0.30051   -0.08599
 38 Pd   -0.14434   -0.00239    0.04376
 39 Au    0.47760   -0.16356    0.43356
 40 Pd   -0.12597    0.22831   -0.04636

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.980591    0.008130   10.020676    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.984124    1.996244   10.021500    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.987606    2.005760   11.995801    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.993064    0.016065   12.013254    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.989665    0.000322   13.982290    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.992993    1.989318   13.996026    ( 0.0000,  0.0000,  0.0000)
   6 Au     2.985993    1.983945   16.007791    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.018779    0.014446   16.019328    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.977002    0.009041   18.025198    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.004191    1.974043   18.037800    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.978682    4.001623   10.019110    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.980830    6.030875    9.968379    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.972016    6.016894   12.008393    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.966486    3.994461   12.008809    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.987201    4.012126   13.980318    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993130    6.028244   13.994682    ( 0.0000,  0.0000,  0.0000)
  16 Au     2.965942    6.038284   15.989432    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.008248    3.993762   15.980296    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.943348    3.994731   18.100080    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.011148    6.078317   18.080481    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.989619    3.995821   20.003152    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.007464    0.008496   10.016762    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.991192    1.997896   10.020417    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.999778    1.977784   12.000578    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.982886    0.000254   11.999877    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.997792   -0.000015   14.011513    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.983555    1.991926   13.992854    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.003313    1.976779   16.018644    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.957256   -0.000155   16.020634    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.011271    0.008638   18.001745    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.969663    1.984681   18.017329    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.013661    3.997726    9.963496    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.991936    6.025062   10.020244    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.014541    6.044081   12.012450    ( 0.0000,  0.0000,  0.0000)
  34 Pd     1.010433    4.010217   11.999517    ( 0.0000,  0.0000,  0.0000)
  35 Au     6.999812    4.012067   14.011237    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.984651    6.028735   13.996378    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.016812    6.046394   16.007743    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.968328    4.010656   16.020718    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.046864    3.994539   18.065145    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.970164    6.039174   18.017153    ( 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 10:26:23  -128.457104  -1.39
iter:   2 10:27:26  -176.691167  -1.06  -1.72
iter:   3 10:28:11  -123.608425  -1.75  -1.35
iter:   4 10:28:58  -118.649722  -2.02  -1.92
iter:   5 10:29:43  -118.379564  -2.95  -2.30
iter:   6 10:30:28  -118.455758c -3.02  -2.39
iter:   7 10:31:11  -118.131689  -3.55  -2.36
iter:   8 10:31:57  -118.101744  -3.61  -2.68
iter:   9 10:32:39  -118.082592c -3.84  -2.80
iter:  10 10:33:22  -118.077168c -4.31  -2.97
iter:  11 10:34:06  -118.075166c -4.77  -3.08
iter:  12 10:34:51  -118.073574c -4.59  -3.17
iter:  13 10:35:29  -118.077121c -5.00  -3.36
iter:  14 10:36:04  -118.074578c -5.25  -3.35
iter:  15 10:36:41  -118.072544c -5.30  -3.36
iter:  16 10:37:21  -118.072465c -5.31  -3.69
iter:  17 10:37:59  -118.072315c -5.72  -3.88
iter:  18 10:38:39  -118.072367c -6.20  -3.99
iter:  19 10:39:19  -118.072260c -6.46  -4.04c
iter:  20 10:39:58  -118.072760c -6.64  -4.09c
iter:  21 10:40:37  -118.072327c -6.39  -3.95
iter:  22 10:41:18  -118.072308c -6.77  -4.23c
iter:  23 10:41:59  -118.072319c -7.15  -4.32c
iter:  24 10:42:36  -118.072274c -7.00  -4.45c
iter:  25 10:43:17  -118.072302c -7.15  -4.61c
iter:  26 10:43:59  -118.072239c -7.61c -4.73c

Converged after 26 iterations.

Dipole moment: (-0.882512, -2.927883, 0.093561) |e|*Ang

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

Kinetic:       -202.091432
Potential:      +28.961758
External:        +0.000000
XC:             +59.017995
Entropy (-ST):   -2.222660
Local:           -2.849231
--------------------------
Free energy:   -119.183569
Extrapolated:  -118.072239

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.32405    1.42442
  0   304     -0.29822    1.31305
  0   305     -0.29140    1.28197
  0   306     -0.26538    1.15838

  1   303     -0.26470    1.15503
  1   304     -0.23387    1.00218
  1   305     -0.20821    0.87454
  1   306     -0.19755    0.82245


Fermi level: -0.23344

No gap

Forces in eV/Ang:
  0 Pd   -0.03009    0.03111    0.10159
  1 Pd   -0.02883   -0.03374    0.09342
  2 Pd   -0.03161   -0.05143    0.00576
  3 Pd   -0.01818   -0.05043   -0.03603
  4 Pd   -0.00080    0.03425   -0.11993
  5 Pd    0.00620   -0.05490   -0.05929
  6 Au   -0.00706    0.08224    0.01417
  7 Pd   -0.01525   -0.03488   -0.01001
  8 Pd   -0.07953    0.02984   -0.00278
  9 Pd    0.02680   -0.06694    0.03563
 10 Pd   -0.02038   -0.02313    0.04594
 11 Au   -0.00959    0.02825   -0.06671
 12 Pd    0.04881    0.05143   -0.04823
 13 Pd    0.08714    0.04372   -0.10916
 14 Pd   -0.03808   -0.03019    0.02265
 15 Pd    0.00814    0.04325   -0.07142
 16 Au    0.13300   -0.10053    0.13290
 17 Pd   -0.06114    0.07062    0.18914
 18 Au   -0.15676    0.01957    0.17859
 19 Au    0.00899    0.08454    0.15262
 20 Au    0.00405   -0.10402   -0.17477
 21 Pd    0.02175    0.01493    0.03982
 22 Pd    0.03457   -0.04408    0.08461
 23 Pd    0.02597    0.04914   -0.01092
 24 Pd    0.02066    0.02865    0.00319
 25 Pd    0.00426    0.01487   -0.05401
 26 Pd   -0.00165   -0.02295   -0.07610
 27 Pd    0.01358    0.04419   -0.03384
 28 Pd   -0.00103    0.05101   -0.09234
 29 Pd    0.10818    0.07272    0.02914
 30 Pd   -0.02324   -0.17504   -0.01737
 31 Au    0.01757   -0.00992   -0.05860
 32 Pd    0.02208    0.03860    0.08861
 33 Pd   -0.05065   -0.04641   -0.08802
 34 Pd   -0.08665   -0.02535   -0.01708
 35 Au    0.06265   -0.01887   -0.14231
 36 Pd   -0.03535    0.01866   -0.08645
 37 Pd   -0.06468   -0.05685    0.03308
 38 Pd    0.05520   -0.03535    0.02192
 39 Au    0.07609   -0.00367    0.16344
 40 Pd   -0.01987    0.13736   -0.01642

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.976155    0.012750   10.034961    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.979569    1.991181   10.034976    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.983957    2.000002   11.995134    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.990932    0.012571   12.010255    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.989773    0.004229   13.964853    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.993601    1.980921   13.987306    ( 0.0000,  0.0000,  0.0000)
   6 Au     2.984895    1.990286   16.008221    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.020491    0.012484   16.018606    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.966499    0.013642   18.025349    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.008653    1.962202   18.044006    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.975081    3.997747   10.026903    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.977996    6.036047    9.956533    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.975311    6.022771   12.003353    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.972606    3.997149   11.996953    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.982767    4.008889   13.978696    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993977    6.034749   13.984411    ( 0.0000,  0.0000,  0.0000)
  16 Au     2.977904    6.029940   16.000750    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.003344    3.999389   15.996710    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.919536    3.994731   18.130921    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.014551    6.096320   18.105716    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.989523    3.982027   19.980146    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.011060    0.011341   10.023545    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.996244    1.991891   10.032751    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.002800    1.979549   11.998681    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.985233    0.003521   11.999477    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.998093    0.001660   14.005505    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.983477    1.987490   13.981805    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.005420    1.977848   16.015140    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.953655    0.005579   16.010803    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.025137    0.018021   18.002294    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.965252    1.962097   18.014760    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.017631    3.994808    9.951898    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.995679    6.030609   10.033006    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.010936    6.042634   12.003478    ( 0.0000,  0.0000,  0.0000)
  34 Pd     1.004438    4.007265   11.996780    ( 0.0000,  0.0000,  0.0000)
  35 Au     7.006976    4.010099   13.995229    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.980921    6.032533   13.984642    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.011934    6.044085   16.010300    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.972583    4.006635   16.023789    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.061971    3.991891   18.089506    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.966202    6.057788   18.014668    ( 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 10:45:02  -122.097838  -2.13
iter:   2 10:45:39  -152.344281  -1.36  -1.92
iter:   3 10:46:14  -121.433057  -2.03  -1.48
iter:   4 10:46:55  -118.321267  -2.43  -2.07
iter:   5 10:47:37  -118.171094  -3.27  -2.59
iter:   6 10:48:19  -118.138726c -3.77  -2.81
iter:   7 10:49:03  -118.130423c -4.27  -3.02
iter:   8 10:49:46  -118.139566c -4.40  -3.18
iter:   9 10:50:28  -118.124852c -4.76  -3.04
iter:  10 10:51:11  -118.124355c -5.21  -3.42
iter:  11 10:51:54  -118.123414c -5.30  -3.51
iter:  12 10:52:36  -118.123507c -5.48  -3.72
iter:  13 10:53:20  -118.123331c -5.96  -3.81
iter:  14 10:54:04  -118.123199c -5.89  -3.77
iter:  15 10:54:46  -118.122868c -6.23  -4.08c
iter:  16 10:55:29  -118.122809c -6.31  -3.85
iter:  17 10:56:11  -118.122834c -6.65  -4.26c
iter:  18 10:56:54  -118.122934c -6.95  -4.38c
iter:  19 10:57:35  -118.122993c -7.19  -4.47c
iter:  20 10:58:18  -118.122952c -7.30  -4.55c
iter:  21 10:59:01  -118.123044c -7.64c -4.59c

Converged after 21 iterations.

Dipole moment: (-0.516730, -4.326116, 0.087804) |e|*Ang

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

Kinetic:       -203.309431
Potential:      +29.917629
External:        +0.000000
XC:             +59.220589
Entropy (-ST):   -2.218926
Local:           -2.842369
--------------------------
Free energy:   -119.232507
Extrapolated:  -118.123044

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.32756    1.41911
  0   304     -0.30695    1.33065
  0   305     -0.29813    1.29083
  0   306     -0.27016    1.15828

  1   303     -0.26858    1.15057
  1   304     -0.23548    0.98622
  1   305     -0.20896    0.85465
  1   306     -0.20000    0.81115


Fermi level: -0.23823

No gap

Forces in eV/Ang:
  0 Pd   -0.00547    0.00723    0.00445
  1 Pd   -0.00487   -0.01587    0.03270
  2 Pd    0.01491    0.04418    0.03646
  3 Pd    0.03456   -0.04224   -0.05019
  4 Pd   -0.00749   -0.02742    0.04965
  5 Pd    0.00664    0.04948    0.00308
  6 Au    0.03941    0.04511    0.01273
  7 Pd   -0.03640   -0.02154    0.00146
  8 Pd   -0.02702    0.01415   -0.02076
  9 Pd    0.00421   -0.04966   -0.03520
 10 Pd   -0.00990   -0.00624    0.02165
 11 Au    0.00055    0.00909   -0.06025
 12 Pd    0.04086   -0.03840   -0.01461
 13 Pd    0.03443    0.03748   -0.05156
 14 Pd    0.02018    0.01253   -0.00851
 15 Pd    0.00072   -0.03745   -0.00719
 16 Au    0.04112   -0.02442    0.03931
 17 Pd    0.02593    0.02837    0.11826
 18 Au   -0.14457    0.00257    0.08033
 19 Au    0.02001    0.05776    0.08632
 20 Au    0.00442   -0.08101   -0.04515
 21 Pd    0.00651    0.00831    0.00235
 22 Pd    0.00484   -0.01314    0.00605
 23 Pd   -0.01212    0.03119   -0.02780
 24 Pd   -0.03847   -0.01406    0.01856
 25 Pd   -0.00403   -0.01175   -0.04112
 26 Pd    0.00483    0.00612   -0.01049
 27 Pd   -0.03420    0.10367   -0.03680
 28 Pd    0.06529   -0.03632   -0.13895
 29 Pd    0.02425    0.02150    0.02385
 30 Pd   -0.00011   -0.06669    0.00311
 31 Au    0.00775   -0.00354   -0.05461
 32 Pd    0.00584    0.01367    0.03129
 33 Pd   -0.04605   -0.03334   -0.08169
 34 Pd   -0.02550    0.01067   -0.02915
 35 Au   -0.04731    0.00492    0.02602
 36 Pd    0.02359    0.00181    0.01616
 37 Pd   -0.04344   -0.08355    0.02201
 38 Pd   -0.00367    0.01480    0.02747
 39 Au    0.08438    0.00598    0.03980
 40 Pd   -0.01603    0.07501   -0.03171

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.972629    0.016674   10.043992    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.975941    1.985623   10.048071    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.984482    2.004132   11.999788    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.995241    0.005483   12.001575    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.988765    0.001863   13.962152    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.994877    1.983426   13.982532    ( 0.0000,  0.0000,  0.0000)
   6 Au     2.990335    1.998795   16.009793    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.017458    0.009233   16.018702    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.956454    0.018700   18.022440    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.012206    1.946542   18.042661    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.971130    3.994252   10.035381    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.975800    6.040987    9.939210    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.982079    6.019658   11.998877    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.978939    4.003084   11.983492    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.983705    4.009373   13.974397    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.994458    6.032901   13.977200    ( 0.0000,  0.0000,  0.0000)
  16 Au     2.988433    6.023720   16.010354    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.006074    4.005266   16.020377    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.882411    3.993968   18.163833    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.020553    6.118394   18.135461    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.989875    3.961731   19.960359    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.014398    0.014609   10.028368    ( 0.0000,  0.0000,  0.0000)
  22 Pd     1.000026    1.986425   10.041075    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.002414    1.983256   11.993099    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.980387    0.002919   12.001769    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.997516    0.000635   13.996274    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.984248    1.985341   13.973577    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.001417    1.992418   16.007904    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.960245    0.002671   15.984792    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.036433    0.026486   18.004824    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.962178    1.939403   18.013691    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.021788    3.991912    9.935219    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.999043    6.036021   10.045447    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.003157    6.038752   11.986977    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.999588    4.007460   11.990508    ( 0.0000,  0.0000,  0.0000)
  35 Au     7.003107    4.010005   13.991623    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982935    6.035527   13.980482    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.004114    6.032149   16.014330    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.973015    4.006990   16.029848    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.085772    3.990374   18.110496    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.960902    6.080020   18.008213    ( 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 11:00:06  -119.973283  -2.26
iter:   2 11:00:48  -138.897191  -1.64  -2.06
iter:   3 11:01:31  -120.036577  -2.27  -1.60
iter:   4 11:02:14  -118.247271  -2.70  -2.17
iter:   5 11:02:54  -118.176667  -3.55  -2.75
iter:   6 11:03:36  -118.161728c -4.08  -2.96
iter:   7 11:04:19  -118.161687c -4.28  -3.16
iter:   8 11:05:01  -118.157692c -4.67  -3.22
iter:   9 11:05:43  -118.158215c -5.13  -3.37
iter:  10 11:06:25  -118.156031c -5.56  -3.42
iter:  11 11:07:07  -118.154895c -5.24  -3.58
iter:  12 11:07:50  -118.154655c -5.62  -3.82
iter:  13 11:08:35  -118.154778c -6.20  -3.85
iter:  14 11:09:20  -118.154552c -6.01  -3.99
iter:  15 11:10:04  -118.154465c -6.47  -4.18c
iter:  16 11:10:48  -118.154730c -6.58  -4.18c
iter:  17 11:11:34  -118.154537c -7.00  -4.31c
iter:  18 11:12:20  -118.154556c -7.21  -4.49c
iter:  19 11:13:03  -118.154530c -7.29  -4.60c
iter:  20 11:13:48  -118.154570c -7.58c -4.73c

Converged after 20 iterations.

Dipole moment: (-0.268681, -4.461667, 0.079387) |e|*Ang

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

Kinetic:       -204.539631
Potential:      +30.861107
External:        +0.000000
XC:             +59.465776
Entropy (-ST):   -2.211965
Local:           -2.835839
--------------------------
Free energy:   -119.260552
Extrapolated:  -118.154570

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.33488    1.42276
  0   304     -0.31633    1.34373
  0   305     -0.30657    1.30002
  0   306     -0.27711    1.16082

  1   303     -0.27334    1.14240
  1   304     -0.23969    0.97511
  1   305     -0.21177    0.83699
  1   306     -0.20368    0.79791


Fermi level: -0.24467

No gap

Forces in eV/Ang:
  0 Pd    0.00408   -0.00663   -0.02010
  1 Pd    0.00432    0.01018   -0.02715
  2 Pd    0.02682    0.01286    0.05047
  3 Pd   -0.00142   -0.01216    0.01345
  4 Pd    0.04616   -0.01866    0.04168
  5 Pd   -0.00845    0.03986    0.01982
  6 Au    0.01817    0.04643    0.00532
  7 Pd    0.01841   -0.01407   -0.01407
  8 Pd    0.00880   -0.00590   -0.02141
  9 Pd   -0.00696   -0.00272   -0.04865
 10 Pd    0.00853    0.00517   -0.02621
 11 Au   -0.00141   -0.01405   -0.05687
 12 Pd    0.01920   -0.02059    0.01019
 13 Pd    0.02544    0.02110   -0.02014
 14 Pd    0.03095    0.02845    0.02727
 15 Pd   -0.00092   -0.03863    0.03801
 16 Au    0.01586   -0.03938    0.02416
 17 Pd   -0.00098    0.01897    0.09900
 18 Au   -0.05464    0.00694    0.00534
 19 Au    0.00136   -0.01262    0.02676
 20 Au   -0.00567   -0.05052   -0.00478
 21 Pd    0.00145    0.00187   -0.04677
 22 Pd   -0.00645    0.00560   -0.02987
 23 Pd   -0.01839    0.03955   -0.00160
 24 Pd   -0.00638   -0.02411    0.03012
 25 Pd   -0.03906   -0.02412    0.01340
 26 Pd   -0.00142    0.05376    0.03105
 27 Pd   -0.00340   -0.00097    0.00054
 28 Pd   -0.00625   -0.00774   -0.05821
 29 Pd   -0.01415   -0.00341   -0.05137
 30 Pd    0.01135   -0.01354   -0.02992
 31 Au   -0.00400   -0.00059   -0.03987
 32 Pd   -0.00041   -0.00156   -0.02568
 33 Pd   -0.01087   -0.05033   -0.01284
 34 Pd   -0.03284    0.02605    0.01995
 35 Au   -0.02285    0.03888    0.03537
 36 Pd   -0.00062   -0.06410    0.02005
 37 Pd   -0.02006    0.00338    0.01827
 38 Pd    0.00916    0.01806   -0.00771
 39 Au    0.02624    0.00739   -0.00459
 40 Pd   -0.00204    0.04241   -0.02515

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.971433    0.017679   10.046174    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.974701    1.984536   10.050412    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.987713    2.006299   12.007619    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.996025    0.001590   12.000554    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.994644   -0.000792   13.964151    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.994197    1.988097   13.982385    ( 0.0000,  0.0000,  0.0000)
   6 Au     2.994165    2.007946   16.010879    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.019649    0.006386   16.016814    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.953123    0.020147   18.018817    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.013077    1.939534   18.036872    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.970480    3.993257   10.035711    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.974390    6.041479    9.924510    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.986786    6.016790   11.998307    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.984541    4.007715   11.975371    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.987496    4.012892   13.976058    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.994579    6.028270   13.978532    ( 0.0000,  0.0000,  0.0000)
  16 Au     2.994836    6.015921   16.017431    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.006335    4.009971   16.042044    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.860424    3.994407   18.179494    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.023220    6.126544   18.151990    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.989146    3.947016   19.950519    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.016175    0.016325   10.024723    ( 0.0000,  0.0000,  0.0000)
  22 Pd     1.001076    1.984658   10.041490    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.000264    1.989386   11.990924    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.978429   -0.000029   12.006302    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.992172   -0.002652   13.994573    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.984287    1.991060   13.973554    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.000136    1.996234   16.005433    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.960459    0.001540   15.968215    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.039876    0.029883   17.998483    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.961996    1.927656   18.008990    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.023230    3.990389    9.922922    ( 0.0000,  0.0000,  0.0000)
  32 Pd     1.000613    6.038268   10.047678    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.999209    6.031181   11.979372    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.993461    4.010581   11.990869    ( 0.0000,  0.0000,  0.0000)
  35 Au     6.999889    4.014907   13.993173    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982983    6.028580   13.980155    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.998802    6.029284   16.018136    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.974685    4.008964   16.031071    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.098986    3.990301   18.119931    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.958355    6.094983   18.002578    ( 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 11:14:55  -118.221896  -2.79
iter:   2 11:15:40  -118.938822  -3.15  -2.81
iter:   3 11:16:26  -118.185875  -3.47  -2.28
iter:   4 11:17:11  -118.171155  -4.39  -3.02
iter:   5 11:17:55  -118.169298c -4.97  -3.28
iter:   6 11:18:41  -118.168334c -4.93  -3.38
iter:   7 11:19:26  -118.168063c -5.22  -3.58
iter:   8 11:20:12  -118.167816c -5.59  -3.75
iter:   9 11:20:58  -118.167767c -5.74  -3.90
iter:  10 11:21:43  -118.167413c -6.01  -3.98
iter:  11 11:22:29  -118.167580c -6.35  -3.89
iter:  12 11:23:14  -118.167509c -6.47  -4.15c
iter:  13 11:23:59  -118.167479c -6.62  -4.33c
iter:  14 11:24:44  -118.167465c -7.04  -4.44c
iter:  15 11:25:30  -118.167431c -7.15  -4.52c
iter:  16 11:26:15  -118.167642c -7.21  -4.61c
iter:  17 11:27:00  -118.167444c -7.52c -4.39c

Converged after 17 iterations.

Dipole moment: (-0.281556, -4.026974, 0.074338) |e|*Ang

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

Kinetic:       -205.613122
Potential:      +31.728837
External:        +0.000000
XC:             +59.649963
Entropy (-ST):   -2.205918
Local:           -2.830164
--------------------------
Free energy:   -119.270403
Extrapolated:  -118.167444

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34025    1.42839
  0   304     -0.32270    1.35414
  0   305     -0.31163    1.30484
  0   306     -0.28114    1.16100

  1   303     -0.27684    1.13996
  1   304     -0.24307    0.97206
  1   305     -0.21483    0.83242
  1   306     -0.20709    0.79506


Fermi level: -0.24866

No gap

Forces in eV/Ang:
  0 Pd    0.00823   -0.00472   -0.00788
  1 Pd   -0.00051    0.00852   -0.03384
  2 Pd   -0.00037    0.00994    0.01078
  3 Pd    0.00946   -0.00447    0.00680
  4 Pd    0.01686   -0.01469    0.04505
  5 Pd    0.00808    0.03949    0.03060
  6 Au   -0.00011   -0.00207   -0.00402
  7 Pd   -0.00729   -0.00479   -0.00896
  8 Pd    0.03306   -0.01040   -0.02823
  9 Pd   -0.00665    0.00887   -0.02724
 10 Pd    0.00097   -0.00043   -0.01645
 11 Au    0.00017   -0.00504   -0.02869
 12 Pd    0.00209   -0.00864    0.00616
 13 Pd   -0.00404    0.00405    0.00057
 14 Pd    0.03354    0.01812    0.01272
 15 Pd   -0.00336   -0.02871    0.03975
 16 Au   -0.01001    0.00807    0.01164
 17 Pd    0.01689    0.00084    0.05489
 18 Au   -0.00979    0.00900    0.00084
 19 Au   -0.00437   -0.02936    0.00782
 20 Au   -0.01208   -0.03335    0.01110
 21 Pd   -0.00561   -0.00433   -0.01964
 22 Pd    0.00263    0.01206   -0.00458
 23 Pd   -0.00445   -0.00086    0.01300
 24 Pd   -0.00358   -0.00460    0.03278
 25 Pd   -0.01762   -0.01175   -0.00104
 26 Pd   -0.00486    0.02942    0.02390
 27 Pd    0.00483   -0.00484   -0.00169
 28 Pd    0.01177   -0.00244   -0.02421
 29 Pd   -0.03804   -0.01367   -0.03742
 30 Pd    0.01023    0.01861   -0.02856
 31 Au   -0.00007    0.00060   -0.02954
 32 Pd    0.00049   -0.00813   -0.03184
 33 Pd   -0.00323    0.00327   -0.00009
 34 Pd    0.00992    0.00195    0.00303
 35 Au   -0.03588    0.00675    0.05809
 36 Pd    0.00750   -0.02423    0.02554
 37 Pd    0.00387    0.01419    0.01452
 38 Pd   -0.01183    0.01404   -0.00498
 39 Au    0.00811    0.00497   -0.01667
 40 Pd    0.00204    0.00723   -0.00816

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.971886    0.017692   10.046886    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.973906    1.984980   10.047479    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.988281    2.007916   12.011544    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.997510   -0.000803   12.000689    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.998696   -0.003355   13.969879    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.995242    1.994559   13.986005    ( 0.0000,  0.0000,  0.0000)
   6 Au     2.995290    2.011252   16.010786    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.019032    0.004483   16.014902    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.955870    0.019488   18.013671    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.012726    1.937777   18.031670    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.970140    3.992601   10.034111    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.973863    6.041296    9.915173    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.989050    6.015182   11.998449    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.986552    4.010168   11.971762    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.993001    4.016190   13.978459    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.994225    6.023251   13.983703    ( 0.0000,  0.0000,  0.0000)
  16 Au     2.996772    6.013725   16.022619    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.008278    4.012253   16.058419    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.850369    3.995983   18.186608    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.023588    6.126037   18.160011    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.987264    3.936586   19.947119    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.016176    0.016422   10.021392    ( 0.0000,  0.0000,  0.0000)
  22 Pd     1.002179    1.985313   10.041985    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.999266    1.991566   11.991922    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.977459   -0.001256   12.012345    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.988165   -0.005140   13.993205    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.983606    1.996604   13.976012    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.000509    1.997373   16.003996    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.962317    0.001311   15.958555    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.036762    0.029814   17.991675    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.963098    1.924717   18.003382    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.023904    3.989873    9.914241    ( 0.0000,  0.0000,  0.0000)
  32 Pd     1.001428    6.038255   10.044937    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.996958    6.028955   11.975962    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.992176    4.011503   11.991096    ( 0.0000,  0.0000,  0.0000)
  35 Au     6.994395    4.017081   14.000404    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.983759    6.023400   13.982746    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.997036    6.029682   16.021703    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.974024    4.011186   16.031061    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.105208    3.990909   18.122346    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.957600    6.102139   17.999500    ( 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 11:28:10  -118.587333  -3.00
iter:   2 11:28:56  -125.396120  -2.22  -2.37
iter:   3 11:29:41  -118.457119  -2.73  -1.81
iter:   4 11:30:28  -118.184562  -3.41  -2.55
iter:   5 11:31:14  -118.176877c -4.21  -3.25
iter:   6 11:32:00  -118.174985c -4.94  -3.34
iter:   7 11:32:46  -118.174141c -5.18  -3.57
iter:   8 11:33:32  -118.173922c -5.51  -3.64
iter:   9 11:34:16  -118.174143c -5.88  -3.84
iter:  10 11:35:01  -118.173910c -6.17  -4.01c
iter:  11 11:35:44  -118.174222c -6.37  -4.13c
iter:  12 11:36:30  -118.173768c -6.58  -3.97
iter:  13 11:37:16  -118.173683c -6.73  -4.30c
iter:  14 11:38:02  -118.173675c -7.24  -4.48c
iter:  15 11:38:49  -118.173601c -7.25  -4.50c
iter:  16 11:39:35  -118.173635c -7.29  -4.57c
iter:  17 11:40:22  -118.173633c -7.77c -4.75c

Converged after 17 iterations.

Dipole moment: (-0.339896, -3.497935, 0.074156) |e|*Ang

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

Kinetic:       -206.069033
Potential:      +32.080996
External:        +0.000000
XC:             +59.740440
Entropy (-ST):   -2.202602
Local:           -2.824735
--------------------------
Free energy:   -119.274933
Extrapolated:  -118.173633

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34347    1.43412
  0   304     -0.32592    1.36026
  0   305     -0.31381    1.30647
  0   306     -0.28266    1.15953

  1   303     -0.27849    1.13916
  1   304     -0.24497    0.97243
  1   305     -0.21741    0.83615
  1   306     -0.20912    0.79612


Fermi level: -0.25048

No gap

Forces in eV/Ang:
  0 Pd    0.00319   -0.00307    0.00713
  1 Pd    0.00188    0.00559   -0.01661
  2 Pd    0.00564   -0.00394    0.00222
  3 Pd   -0.00355    0.00876    0.00638
  4 Pd    0.00698    0.00074    0.00151
  5 Pd    0.00033    0.00791    0.01245
  6 Au   -0.00338   -0.00088   -0.00805
  7 Pd   -0.00240    0.00284   -0.00731
  8 Pd    0.02296   -0.00207   -0.01227
  9 Pd   -0.00153    0.00774   -0.00792
 10 Pd    0.00242    0.00159   -0.01085
 11 Au    0.00017   -0.00303   -0.01083
 12 Pd   -0.00441    0.00402   -0.00108
 13 Pd   -0.00321   -0.00546   -0.00413
 14 Pd    0.01422    0.00396    0.00692
 15 Pd   -0.00093   -0.00672    0.01750
 16 Au   -0.01409    0.00554    0.00186
 17 Pd    0.00605   -0.00409    0.02839
 18 Au    0.00684    0.00624   -0.00091
 19 Au   -0.00383   -0.02896    0.00376
 20 Au   -0.00775   -0.02453    0.01188
 21 Pd   -0.00006   -0.00109    0.00084
 22 Pd   -0.00228    0.00272    0.00923
 23 Pd   -0.00220   -0.00271    0.00299
 24 Pd    0.00500   -0.00093    0.00912
 25 Pd   -0.00395   -0.00262    0.00368
 26 Pd   -0.00147    0.01185    0.00378
 27 Pd    0.00373   -0.01421    0.00301
 28 Pd   -0.00181    0.00059    0.00534
 29 Pd   -0.01988   -0.00447   -0.02143
 30 Pd    0.00086    0.00566   -0.01866
 31 Au    0.00133   -0.00067   -0.01127
 32 Pd   -0.00091   -0.00307   -0.01472
 33 Pd    0.00751    0.00168    0.00522
 34 Pd    0.00138    0.00329    0.00672
 35 Au   -0.00970    0.00535    0.01544
 36 Pd   -0.00003   -0.00730    0.00575
 37 Pd    0.01052    0.01638    0.00550
 38 Pd   -0.00454    0.00917   -0.00168
 39 Au   -0.00574    0.00107   -0.00285
 40 Pd   -0.00021    0.00286    0.00576

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    23.820    23.820   0.4% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                     88.931    88.931   1.5% ||
Hamiltonian:                                19.558     0.059   0.0% |
 Atomic:                                    10.277     9.610   0.2% |
  XC Correction:                             0.667     0.667   0.0% |
 Calculate atomic Hamiltonians:              5.866     5.866   0.1% |
 Communicate:                                0.001     0.001   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.042     0.042   0.0% |
 XC 3D grid:                                 3.313     3.313   0.1% |
LCAO initialization:                        68.750     0.317   0.0% |
 LCAO eigensolver:                           5.758     0.002   0.0% |
  Calculate projections:                     0.028     0.028   0.0% |
  DenseAtomicCorrection:                     0.025     0.025   0.0% |
  Distribute overlap matrix:                 0.009     0.009   0.0% |
  Orbital Layouts:                           0.270     0.270   0.0% |
  Potential matrix:                          5.384     5.384   0.1% |
  Sum over cells:                            0.040     0.040   0.0% |
 LCAO to grid:                              61.513    61.513   1.0% |
 Set positions (LCAO WFS):                   1.162     0.210   0.0% |
  Basic WFS set positions:                   0.001     0.001   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.687     0.687   0.0% |
  ST tci:                                    0.204     0.204   0.0% |
  mktci:                                     0.060     0.060   0.0% |
PWDescriptor:                                0.693     0.693   0.0% |
Redistribute:                                0.029     0.029   0.0% |
SCF-cycle:                                5797.686   831.826  13.8% |-----|
 Davidson:                                4201.820   829.194  13.7% |----|
  Apply H:                                 405.905   396.308   6.6% |--|
   HMM T:                                    9.597     9.597   0.2% |
  Subspace diag:                           722.279     0.030   0.0% |
   calc_h_matrix:                          520.920   123.047   2.0% ||
    Apply H:                               397.874   387.701   6.4% |--|
     HMM T:                                 10.172    10.172   0.2% |
   diagonalize:                             16.113    16.113   0.3% |
   rotate_psi:                             185.215   185.215   3.1% ||
  calc. matrices:                         1551.069   752.864  12.5% |----|
   Apply H:                                798.205   778.623  12.9% |----|
    HMM T:                                  19.582    19.582   0.3% |
  diagonalize:                             350.729   350.729   5.8% |-|
  rotate_psi:                              342.643   342.643   5.7% |-|
 Density:                                  462.151     0.006   0.0% |
  Atomic density matrices:                   1.342     1.342   0.0% |
  Mix:                                     162.430   162.430   2.7% ||
  Multipole moments:                         0.086     0.086   0.0% |
  Pseudo density:                          298.287   298.281   4.9% |-|
   Symmetrize density:                       0.005     0.005   0.0% |
 Hamiltonian:                              285.119     1.269   0.0% |
  Atomic:                                   94.326    79.228   1.3% ||
   XC Correction:                           15.098    15.098   0.3% |
  Calculate atomic Hamiltonians:           120.223   120.223   2.0% ||
  Communicate:                               0.205     0.205   0.0% |
  Poisson:                                   0.823     0.823   0.0% |
  XC 3D grid:                               68.272    68.272   1.1% |
 Orthonormalize:                            16.770     0.002   0.0% |
  calc_s_matrix:                             2.958     2.958   0.0% |
  inverse-cholesky:                          0.336     0.336   0.0% |
  projections:                               9.238     9.238   0.2% |
  rotate_psi_s:                              4.236     4.236   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      34.276    34.276   0.6% |
-------------------------------------------------------------------
Total:                                              6033.746 100.0%

Memory usage: 1.01 GiB
Date: Mon Mar 27 11:40:37 2023
