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

User:   lacmarco@node508.cluster
Date:   Mon Mar 27 11:15:22 2023
Arch:   x86_64
Pid:    33069
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 ...

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

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

Reference energy: -8661686.411014

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: 186.97 MiB
  Calculator: 508.25 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: 439.12 MiB
      Arrays psit_nG: 200.64 MiB
      Eigensolver: 224.68 MiB
      Projections: 2.11 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: 468
Number of bands in calculation: 374
Number of valence electrons: 616
Bands to converge: occupied

... initialized

Initializing position-dependent things.

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

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

Positions:
   0 Au     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 Au     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 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 Pd     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 Au     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 Au     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 Au     0.982762    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
  29 Au     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 Pd     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 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 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 11:18:05  -154.586701
iter:   2 11:19:04  -146.575745  -1.22  -1.20
iter:   3 11:20:03  -146.403150  -1.65  -1.25
iter:   4 11:21:02  -157.965854  -1.22  -1.26
iter:   5 11:22:01  -135.873355  -1.03  -1.23
iter:   6 11:22:59  -129.913098  -0.92  -1.44
iter:   7 11:23:57  -123.162855  -1.88  -1.74
iter:   8 11:24:55  -119.692085  -1.79  -1.81
iter:   9 11:25:52  -119.322910  -2.33  -1.90
iter:  10 11:26:50  -124.092305  -2.06  -2.00
iter:  11 11:27:48  -118.752707  -2.54  -1.87
iter:  12 11:28:45  -118.642028  -3.33  -2.15
iter:  13 11:29:45  -118.598920c -2.94  -2.16
iter:  14 11:30:42  -118.733751c -3.31  -2.24
iter:  15 11:31:40  -118.594645c -3.02  -2.22
iter:  16 11:32:38  -118.480287c -3.26  -2.35
iter:  17 11:33:36  -118.332499c -2.99  -2.49
iter:  18 11:34:35  -118.326547c -3.99  -2.82
iter:  19 11:35:34  -118.316978c -4.22  -2.92
iter:  20 11:36:34  -118.315421c -4.20  -3.12
iter:  21 11:37:32  -118.314604c -4.94  -3.40
iter:  22 11:38:30  -118.314914c -5.23  -3.49
iter:  23 11:39:28  -118.314379c -5.37  -3.56
iter:  24 11:40:25  -118.314599c -5.88  -3.61
iter:  25 11:41:25  -118.314293c -6.17  -3.69
iter:  26 11:42:23  -118.314349c -6.22  -3.84
iter:  27 11:43:22  -118.314449c -6.17  -3.98
iter:  28 11:44:21  -118.314420c -6.54  -4.14c
iter:  29 11:45:20  -118.314483c -6.88  -4.30c
iter:  30 11:46:18  -118.314332c -6.85  -4.33c
iter:  31 11:47:16  -118.314334c -7.09  -4.10c
iter:  32 11:48:16  -118.314347c -7.44c -4.52c

Converged after 32 iterations.

Dipole moment: (-4.667135, -0.056562, 0.215884) |e|*Ang

Energy contributions relative to reference atoms: (reference = -8661686.411014)

Kinetic:       -201.727879
Potential:      +25.098697
External:        +0.000000
XC:             +62.510458
Entropy (-ST):   -2.356859
Local:           -3.017194
--------------------------
Free energy:   -119.492777
Extrapolated:  -118.314347

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.30318    1.36972
  0   307     -0.28962    1.30979
  0   308     -0.27323    1.23398
  0   309     -0.25129    1.12795

  1   306     -0.23438    1.04409
  1   307     -0.22846    1.01452
  1   308     -0.19506    0.84872
  1   309     -0.16000    0.68346


Fermi level: -0.22555

No gap

Forces in eV/Ang:
  0 Au    0.00189    0.00387   -0.36630
  1 Pd    0.09374    0.09517    0.18810
  2 Pd    0.24976    0.15822    0.07675
  3 Pd    0.14932    0.14944    0.20921
  4 Pd    0.27044   -0.13777   -0.10130
  5 Pd   -0.00116    0.01766   -0.00189
  6 Pd    0.22375    0.25848    0.00970
  7 Pd    0.00714    0.01291   -0.12892
  8 Au    0.18231    0.00479    0.46240
  9 Pd   -0.12675    0.06496    0.17674
 10 Pd    0.00774   -0.00040    0.13469
 11 Au    0.12381   -0.12656   -0.30745
 12 Pd   -0.16607   -0.14968    0.22292
 13 Pd    0.00143   -0.16018    0.06222
 14 Pd    0.13927    0.13447    0.01660
 15 Pd   -0.00637   -0.02347   -0.04220
 16 Pd    0.08425   -0.26433   -0.11423
 17 Pd   -0.14782   -0.00940   -0.16802
 18 Pd    0.03514   -0.00097    0.05172
 19 Pd   -0.12921   -0.06474    0.15098
 20 Pd   -0.06114   -0.00138   -1.03237
 21 Pd   -0.00724   -0.00088    0.14102
 22 Au   -0.12670    0.12655   -0.35047
 23 Pd   -0.25868    0.00567   -0.03978
 24 Pd   -0.15216   -0.26132    0.03651
 25 Pd   -0.26233   -0.13016   -0.14731
 26 Au    0.00489    0.16484   -0.18518
 27 Pd   -0.22263    0.12079   -0.11775
 28 Au   -0.00322   -0.17220   -0.08757
 29 Au   -0.18743    0.00638    0.47301
 30 Pd    0.11829    0.20108    0.05668
 31 Pd   -0.00012   -0.00260    0.13902
 32 Pd   -0.09298   -0.09056    0.18569
 33 Pd    0.17602   -0.00269    0.10427
 34 Pd    0.00138    0.25197   -0.04205
 35 Pd   -0.16481    0.14108   -0.03170
 36 Pd    0.00237   -0.12656   -0.14365
 37 Pd   -0.08539   -0.12804   -0.24104
 38 Pd    0.12640    0.12084    0.15438
 39 Au    0.10108   -0.00177    0.57100
 40 Pd    0.11607   -0.18364    0.02919

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.988398    0.000387    9.963370    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.003030    2.014964   10.018810    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.013186    2.021269   12.013122    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.008588    0.014944   12.026369    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.015253   -0.013777   14.000764    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.993541    2.007213   14.010706    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.010584    2.031296   16.017312    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.994370    0.001291   16.003450    ( 0.0000,  0.0000,  0.0000)
   8 Au     3.006440    0.000479   18.068029    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.980981    2.011944   18.039463    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.988983    4.010855   10.013469    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.006037    6.003686    9.969255    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.971602    6.001374   12.027740    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.993799    3.994877   12.011670    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.002136    4.024342   14.012555    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993019    6.013995   14.006675    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.996634    5.989909   16.004919    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.978874    4.009955   15.999540    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.991723    4.010798   18.026962    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.980735    6.009868   18.036888    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.987542    4.010756   19.923999    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.998380   -0.000088   10.014102    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.970092    2.018103    9.964953    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.973236    2.006014   12.001470    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.967546   -0.026132   12.009098    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.972871   -0.013016   13.996164    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.983251    2.021932   13.992377    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.976841    2.017527   16.004568    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.982439   -0.017220   16.007585    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.980361    0.000638   18.069091    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.994591    2.025556   18.027458    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.999092    4.010635   10.013902    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.973464    6.007286   10.018569    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.016706    6.016074   12.015874    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.982900    4.036092   12.001242    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.982623    4.025003   14.007725    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982999    6.003686   13.996530    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.990565    6.003538   15.992238    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.995402    4.022979   16.031780    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.009212    4.010718   18.078890    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.994369    5.997978   18.024709    ( 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 11:49:48  -121.089552  -1.55
iter:   2 11:50:42  -120.895659  -2.11  -2.03
iter:   3 11:51:43  -122.565843  -2.26  -2.00
iter:   4 11:52:48  -119.316696  -2.62  -1.94
iter:   5 11:53:52  -118.734407  -3.15  -2.26
iter:   6 11:54:56  -118.596897  -3.32  -2.54
iter:   7 11:55:59  -118.577032c -3.40  -2.75
iter:   8 11:56:59  -118.561368c -4.13  -2.84
iter:   9 11:58:00  -118.559655c -4.28  -3.00
iter:  10 11:58:59  -118.558083c -4.63  -3.10
iter:  11 12:00:01  -118.559136c -4.63  -3.18
iter:  12 12:01:02  -118.556169c -4.96  -3.25
iter:  13 12:02:01  -118.555909c -5.26  -3.35
iter:  14 12:03:01  -118.555653c -5.23  -3.44
iter:  15 12:04:01  -118.555395c -5.39  -3.63
iter:  16 12:05:01  -118.555298c -5.45  -3.74
iter:  17 12:06:02  -118.554970c -5.95  -3.73
iter:  18 12:07:04  -118.555334c -6.10  -3.81
iter:  19 12:08:05  -118.554855c -6.48  -3.78
iter:  20 12:09:05  -118.554788c -6.01  -3.88
iter:  21 12:10:05  -118.554771c -6.65  -4.06c
iter:  22 12:11:04  -118.554734c -6.43  -4.11c
iter:  23 12:12:05  -118.554821c -6.78  -4.26c
iter:  24 12:13:05  -118.554749c -6.98  -4.39c
iter:  25 12:14:05  -118.554813c -7.31  -4.40c
iter:  26 12:15:06  -118.554778c -6.96  -4.54c
iter:  27 12:16:05  -118.554770c -7.52c -4.67c

Converged after 27 iterations.

Dipole moment: (-5.472996, 2.352726, 0.207361) |e|*Ang

Energy contributions relative to reference atoms: (reference = -8661686.411014)

Kinetic:       -207.846002
Potential:      +30.133032
External:        +0.000000
XC:             +63.391071
Entropy (-ST):   -2.358795
Local:           -3.053474
--------------------------
Free energy:   -119.734168
Extrapolated:  -118.554770

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.31045    1.36346
  0   307     -0.29489    1.29412
  0   308     -0.27730    1.21185
  0   309     -0.25627    1.10950

  1   306     -0.24529    1.05499
  1   307     -0.23857    1.02144
  1   308     -0.20788    0.86876
  1   309     -0.16842    0.68213


Fermi level: -0.23428

No gap

Forces in eV/Ang:
  0 Au    0.02059   -0.01116   -0.06587
  1 Pd    0.02359    0.02605    0.05746
  2 Pd   -0.05575   -0.03474   -0.05326
  3 Pd   -0.06250   -0.09704   -0.09432
  4 Pd    0.00605    0.00617   -0.00902
  5 Pd   -0.00357    0.03120    0.03749
  6 Pd   -0.01354   -0.04790   -0.00814
  7 Pd   -0.01132   -0.01790    0.09356
  8 Au    0.02686   -0.00586    0.14497
  9 Pd   -0.03672   -0.07747   -0.00033
 10 Pd    0.01648    0.01337    0.07685
 11 Au    0.02314   -0.02302   -0.04305
 12 Pd    0.10239    0.03951   -0.06427
 13 Pd    0.01897    0.08984   -0.00750
 14 Pd    0.00961    0.00258   -0.02289
 15 Pd   -0.00371   -0.03102   -0.09463
 16 Pd    0.03230    0.03426    0.01807
 17 Pd    0.08333    0.02018    0.05618
 18 Pd   -0.08018    0.01273    0.00270
 19 Pd   -0.03906    0.07540   -0.05997
 20 Pd   -0.14117    0.00144   -0.43934
 21 Pd   -0.02372   -0.01570    0.08369
 22 Au   -0.02540    0.03038   -0.07420
 23 Pd    0.05572    0.03557    0.00976
 24 Pd    0.05153    0.07977   -0.03304
 25 Pd    0.00384    0.00952    0.01695
 26 Au   -0.00185    0.00486   -0.04527
 27 Pd   -0.00634    0.03354    0.04323
 28 Au    0.01692    0.03260    0.05002
 29 Au   -0.04027   -0.00451    0.14141
 30 Pd    0.06638    0.00830   -0.07050
 31 Pd   -0.01086    0.01337    0.07635
 32 Pd   -0.02643   -0.03099    0.05308
 33 Pd   -0.09653   -0.04115   -0.00428
 34 Pd   -0.02028   -0.06570   -0.02483
 35 Pd   -0.02872    0.00758   -0.02104
 36 Pd   -0.00172   -0.04103    0.05053
 37 Pd   -0.04689   -0.05507    0.06587
 38 Pd   -0.04337   -0.00884    0.05790
 39 Au    0.20344    0.01246    0.11280
 40 Pd    0.06443   -0.01139   -0.00521

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.990820   -0.000852    9.950236    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.007174    2.019415   10.028301    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.010438    2.019595   12.008078    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.003555    0.005897   12.018531    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.019998   -0.015119   13.998202    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.993108    2.011104   14.015036    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.012355    2.029591   16.016510    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.993161   -0.000597   16.012400    ( 0.0000,  0.0000,  0.0000)
   8 Au     3.012287   -0.000131   18.091795    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.974818    2.003909   18.042067    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.991015    4.012403   10.024417    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.010578    5.999118    9.959654    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.981023    6.003730   12.023600    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.996025    4.002927   12.011729    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.005335    4.026652   14.010142    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.992493    6.010038   13.995042    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.001648    5.989940   16.005313    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.986351    4.012161   16.003560    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.982928    4.012264   18.028049    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.974262    6.017665   18.032174    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.970218    4.010904   19.857492    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.995514   -0.001927   10.025940    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.965245    2.023527    9.951088    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.975846    2.010234   12.002010    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.971262   -0.020765   12.005802    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.969396   -0.013856   13.995933    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.983109    2.024961   13.984346    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.972776    2.023232   16.007833    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.984359   -0.016004   16.012090    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.972878    0.000209   18.092601    ( 0.0000,  0.0000,  0.0000)
  30 Pd     1.004076    2.029527   18.020109    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.997828    4.012151   10.024857    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.969002    6.002330   10.027515    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.008116    6.011249   12.016936    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.980563    4.032220   11.997727    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.976820    4.027993   14.004805    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982834    5.997024   14.000257    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.983837    5.995222   15.996293    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.992249    4.023758   16.040819    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.034373    4.012140   18.100539    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.003594    5.993908   18.024540    ( 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 12:17:34  -118.970916  -2.32
iter:   2 12:18:35  -118.868926  -2.74  -2.45
iter:   3 12:19:36  -118.658201  -3.34  -2.53
iter:   4 12:20:37  -118.790844c -3.68  -2.78
iter:   5 12:21:40  -118.611472c -4.07  -2.55
iter:   6 12:22:41  -118.606489c -4.31  -3.14
iter:   7 12:23:42  -118.605276c -4.59  -3.27
iter:   8 12:24:44  -118.604765c -4.96  -3.43
iter:   9 12:25:46  -118.604629c -5.33  -3.52
iter:  10 12:26:48  -118.607051c -5.40  -3.65
iter:  11 12:27:50  -118.604666c -5.36  -3.47
iter:  12 12:28:52  -118.604584c -5.96  -3.80
iter:  13 12:29:53  -118.604337c -6.19  -3.97
iter:  14 12:30:55  -118.604285c -6.26  -4.06c
iter:  15 12:31:56  -118.604217c -6.23  -4.21c
iter:  16 12:32:56  -118.604207c -6.72  -4.30c
iter:  17 12:33:58  -118.604252c -7.15  -4.23c
iter:  18 12:35:01  -118.604211c -7.29  -4.34c
iter:  19 12:36:03  -118.604244c -7.03  -4.42c
iter:  20 12:37:05  -118.604204c -7.50c -4.53c

Converged after 20 iterations.

Dipole moment: (-5.444875, 2.839834, 0.197427) |e|*Ang

Energy contributions relative to reference atoms: (reference = -8661686.411014)

Kinetic:       -207.947663
Potential:      +30.110347
External:        +0.000000
XC:             +63.441664
Entropy (-ST):   -2.356616
Local:           -3.030245
--------------------------
Free energy:   -119.782512
Extrapolated:  -118.604204

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.31348    1.35221
  0   307     -0.30175    1.29980
  0   308     -0.28158    1.20550
  0   309     -0.26119    1.10612

  1   306     -0.25159    1.05844
  1   307     -0.24329    1.01699
  1   308     -0.21108    0.85693
  1   309     -0.17358    0.68012


Fermi level: -0.23989

No gap

Forces in eV/Ang:
  0 Au   -0.00519    0.00036   -0.03914
  1 Pd    0.00342    0.00804    0.03337
  2 Pd   -0.01986   -0.03968   -0.03958
  3 Pd   -0.03577   -0.00655   -0.04360
  4 Pd   -0.02333    0.01194    0.01247
  5 Pd   -0.00736   -0.01644   -0.01396
  6 Pd   -0.02007   -0.04117   -0.02185
  7 Pd    0.01449   -0.00851    0.03286
  8 Au   -0.04009   -0.00176    0.06474
  9 Pd    0.01673   -0.07155   -0.08580
 10 Pd    0.00813    0.00371    0.03094
 11 Au   -0.00183   -0.00225   -0.05779
 12 Pd   -0.00107    0.04173   -0.05192
 13 Pd   -0.01734    0.00346   -0.00278
 14 Pd   -0.02004   -0.01962    0.00011
 15 Pd   -0.00342    0.02140    0.01760
 16 Pd   -0.00037    0.04799   -0.00570
 17 Pd    0.03958    0.00129    0.09278
 18 Pd   -0.11189    0.00238   -0.10298
 19 Pd    0.01767    0.06299   -0.09495
 20 Pd   -0.11254    0.00940   -0.09267
 21 Pd   -0.00079   -0.00346    0.05016
 22 Au    0.00070   -0.00759   -0.04568
 23 Pd    0.01422   -0.01635    0.02877
 24 Pd    0.04053    0.01920   -0.02021
 25 Pd    0.02073    0.00928    0.03132
 26 Au   -0.00258   -0.01399    0.05416
 27 Pd    0.02893   -0.02186    0.05891
 28 Au   -0.02722    0.01241    0.04950
 29 Au    0.03648   -0.00289    0.03843
 30 Pd    0.03566   -0.06120   -0.03909
 31 Pd   -0.00624    0.00235    0.01151
 32 Pd   -0.00376    0.00407    0.04061
 33 Pd   -0.00054    0.02062    0.01611
 34 Pd    0.01373   -0.01862    0.01399
 35 Pd    0.02413   -0.02279    0.00755
 36 Pd    0.00057    0.01369    0.01572
 37 Pd    0.00591    0.03356    0.07307
 38 Pd   -0.01363   -0.01966   -0.04221
 39 Au    0.13465    0.00016    0.00386
 40 Pd    0.03757    0.06853   -0.00421

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.990829   -0.001139    9.938250    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.009557    2.022540   10.037103    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.008719    2.014773   12.001676    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.998219    0.003428   12.011727    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.020157   -0.014876   13.998429    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.991953    2.010103   14.014364    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.011745    2.025291   16.013319    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.994864   -0.002236   16.018636    ( 0.0000,  0.0000,  0.0000)
   8 Au     3.009800   -0.000519   18.111164    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.974387    1.992113   18.032253    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.992796    4.013369   10.032918    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.012574    5.996529    9.946560    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.982425    6.009100   12.016833    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.994290    4.004596   12.011819    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.004528    4.025605   14.009570    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.991819    6.011663   13.993744    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.003694    5.994648   16.003798    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.992946    4.012920   16.016355    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.965102    4.013018   18.014489    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.973852    6.028207   18.018748    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.949081    4.012239   19.817471    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.994508   -0.002954   10.037410    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.962982    2.025005    9.938099    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.976677    2.009254   12.005860    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.976848   -0.018451   12.002303    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.969312   -0.013776   13.999117    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.982746    2.025130   13.988119    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.973945    2.022775   16.016086    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.981130   -0.015195   16.019627    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.974347   -0.000270   18.108329    ( 0.0000,  0.0000,  0.0000)
  30 Pd     1.012678    2.023702   18.012950    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.996591    4.012903   10.030701    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.966482    6.000767   10.037141    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.006809    6.012664   12.020248    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.981786    4.030358   11.998320    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.977240    4.026756   14.004758    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982882    5.996026   14.002473    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.982045    5.996477   16.005830    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.990365    4.022155   16.038772    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.061174    4.012568   18.111653    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.012369    6.000848   18.024123    ( 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 12:38:35  -118.908290  -2.54
iter:   2 12:39:35  -123.055103  -2.44  -2.46
iter:   3 12:40:38  -118.765784  -2.88  -1.93
iter:   4 12:41:39  -118.637270  -3.53  -2.71
iter:   5 12:42:38  -118.634045c -4.37  -3.18
iter:   6 12:43:40  -118.630685c -4.65  -3.24
iter:   7 12:44:41  -118.629816c -4.84  -3.41
iter:   8 12:45:42  -118.629777c -5.12  -3.56
iter:   9 12:46:46  -118.629680c -5.55  -3.70
iter:  10 12:47:49  -118.629767c -5.72  -3.74
iter:  11 12:48:53  -118.629644c -5.69  -3.79
iter:  12 12:49:57  -118.629481c -6.11  -3.98
iter:  13 12:50:58  -118.629515c -6.40  -4.08c
iter:  14 12:52:00  -118.629333c -6.29  -4.16c
iter:  15 12:53:02  -118.629349c -6.73  -4.32c
iter:  16 12:54:03  -118.629286c -7.05  -4.31c
iter:  17 12:55:07  -118.629276c -7.15  -4.33c
iter:  18 12:56:09  -118.629295c -7.21  -4.43c
iter:  19 12:57:13  -118.629270c -7.51c -4.51c

Converged after 19 iterations.

Dipole moment: (-5.023015, 2.969423, 0.189187) |e|*Ang

Energy contributions relative to reference atoms: (reference = -8661686.411014)

Kinetic:       -207.956384
Potential:      +30.050902
External:        +0.000000
XC:             +63.460498
Entropy (-ST):   -2.352334
Local:           -3.008119
--------------------------
Free energy:   -119.805437
Extrapolated:  -118.629270

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.32065    1.35656
  0   307     -0.30790    1.29968
  0   308     -0.28521    1.19327
  0   309     -0.26681    1.10335

  1   306     -0.25804    1.05982
  1   307     -0.24657    1.00253
  1   308     -0.21544    0.84806
  1   309     -0.17775    0.67113


Fermi level: -0.24606

No gap

Forces in eV/Ang:
  0 Au   -0.00520    0.00331   -0.03187
  1 Pd    0.00301   -0.00154   -0.00490
  2 Pd   -0.03744   -0.01964   -0.00206
  3 Pd   -0.01165   -0.01315   -0.00449
  4 Pd   -0.02579    0.00836    0.01370
  5 Pd    0.00183   -0.00404    0.00955
  6 Pd    0.00622   -0.03472   -0.01817
  7 Pd   -0.00245    0.01323   -0.00611
  8 Au   -0.02695    0.00188    0.02010
  9 Pd    0.01747   -0.00805   -0.05345
 10 Pd   -0.00412   -0.00123   -0.00522
 11 Au   -0.00199    0.00568   -0.02314
 12 Pd    0.00822    0.01431   -0.00746
 13 Pd   -0.00736    0.01881    0.01751
 14 Pd    0.01118   -0.00475    0.00515
 15 Pd    0.00212   -0.00245    0.03132
 16 Pd   -0.01745    0.03262   -0.01813
 17 Pd    0.01313   -0.01246    0.03229
 18 Pd   -0.05808   -0.00072   -0.09262
 19 Pd    0.01921    0.00267   -0.03949
 20 Pd   -0.05562    0.00797   -0.01190
 21 Pd    0.00379    0.00180    0.01009
 22 Au   -0.00119   -0.00563   -0.00561
 23 Pd    0.03092   -0.01138    0.02098
 24 Pd    0.01577    0.03175    0.00857
 25 Pd    0.01551    0.00760    0.00796
 26 Au   -0.00024   -0.03365    0.02259
 27 Pd    0.01119   -0.01317    0.02224
 28 Au   -0.00564   -0.00833    0.00054
 29 Au    0.05000    0.00001    0.02163
 30 Pd    0.01856   -0.05137    0.01392
 31 Pd    0.00375   -0.00235    0.00342
 32 Pd   -0.00369    0.00431    0.00141
 33 Pd   -0.01337    0.00906    0.01556
 34 Pd    0.00643   -0.03172    0.01985
 35 Pd   -0.00224   -0.00589    0.02502
 36 Pd    0.00038    0.02957    0.00662
 37 Pd    0.02967    0.01279    0.02339
 38 Pd   -0.00942    0.01206   -0.05279
 39 Au    0.01675   -0.00169    0.00334
 40 Pd    0.02024    0.05048    0.01615

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.990362   -0.000863    9.927759    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.011389    2.023922   10.040320    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.002887    2.010736   11.999251    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.994801    0.000012   12.008797    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.017582   -0.014062   13.999975    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.991872    2.009777   14.016181    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.013302    2.019358   16.009674    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.994798   -0.000874   16.020161    ( 0.0000,  0.0000,  0.0000)
   8 Au     3.006290   -0.000402   18.123392    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.975808    1.986975   18.022420    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.992915    4.013632   10.036065    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.013676    5.995818    9.937696    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.984828    6.012582   12.013973    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.993019    4.008504   12.014644    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.006757    4.025244   14.009930    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.991880    6.011149   13.996535    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.002442    6.000141   16.000443    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.997229    4.011497   16.024639    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.950688    4.013290   17.997279    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.975495    6.032179   18.009084    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.932850    4.013803   19.794254    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.994433   -0.003186   10.043765    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.961284    2.025545    9.931252    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.981256    2.007840   12.009991    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.980776   -0.013018   12.002356    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.970539   -0.013036   14.000751    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.982610    2.020893   13.991017    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.974868    2.021698   16.021706    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.979683   -0.016509   16.022021    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.980846   -0.000432   18.119838    ( 0.0000,  0.0000,  0.0000)
  30 Pd     1.019211    2.015450   18.012393    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.996674    4.012932   10.034475    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.964472    6.000155   10.041447    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.003785    6.013771   12.023843    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.982776    4.025214   12.000913    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.975863    4.026278   14.008066    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982937    5.999062   14.004171    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.984983    5.997351   16.011755    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.988363    4.023956   16.031819    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.074112    4.012602   18.119212    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.019161    6.009284   18.026500    ( 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 12:58:48  -118.916963  -2.77
iter:   2 12:59:50  -123.270526  -2.46  -2.47
iter:   3 13:00:52  -118.678837  -2.90  -1.91
iter:   4 13:01:57  -118.669964  -3.63  -2.96
iter:   5 13:03:03  -118.645266c -4.54  -2.94
iter:   6 13:04:06  -118.642435c -4.82  -3.32
iter:   7 13:05:11  -118.642315c -4.90  -3.48
iter:   8 13:06:16  -118.641478c -5.35  -3.53
iter:   9 13:07:19  -118.641311c -5.76  -3.76
iter:  10 13:08:22  -118.641271c -5.59  -3.84
iter:  11 13:09:25  -118.641108c -6.10  -3.96
iter:  12 13:10:27  -118.641000c -6.40  -4.10c
iter:  13 13:11:31  -118.641113c -6.70  -4.21c
iter:  14 13:12:34  -118.640914c -6.44  -4.12c
iter:  15 13:13:38  -118.640913c -7.04  -4.38c
iter:  16 13:14:41  -118.640918c -7.36  -4.62c
iter:  17 13:15:43  -118.640928c -7.51c -4.61c

Converged after 17 iterations.

Dipole moment: (-4.670099, 2.799805, 0.184708) |e|*Ang

Energy contributions relative to reference atoms: (reference = -8661686.411014)

Kinetic:       -207.772673
Potential:      +29.843777
External:        +0.000000
XC:             +63.470900
Entropy (-ST):   -2.347091
Local:           -3.009387
--------------------------
Free energy:   -119.814473
Extrapolated:  -118.640928

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.32527    1.36056
  0   307     -0.31167    1.30003
  0   308     -0.28724    1.18520
  0   309     -0.26984    1.10004

  1   306     -0.26148    1.05850
  1   307     -0.24821    0.99222
  1   308     -0.21872    0.84600
  1   309     -0.17981    0.66384


Fermi level: -0.24976

No gap

Forces in eV/Ang:
  0 Au   -0.00346    0.00138   -0.01260
  1 Pd   -0.00132   -0.00264    0.00976
  2 Pd    0.00943   -0.00582   -0.00076
  3 Pd   -0.00792    0.01096    0.00985
  4 Pd    0.00567   -0.00154   -0.00379
  5 Pd    0.00472   -0.00836   -0.01109
  6 Pd   -0.01016   -0.01781   -0.00698
  7 Pd    0.01077   -0.00403    0.00387
  8 Au    0.00938    0.00009   -0.00666
  9 Pd    0.00758   -0.00312   -0.02301
 10 Pd   -0.00176   -0.00075   -0.00666
 11 Au   -0.00400    0.00569   -0.00228
 12 Pd   -0.01241    0.00611    0.00021
 13 Pd   -0.00353   -0.01289    0.00318
 14 Pd   -0.00049   -0.00586    0.00796
 15 Pd    0.00349    0.01215    0.03882
 16 Pd   -0.00226    0.01757   -0.00726
 17 Pd   -0.00304    0.00118    0.00214
 18 Pd   -0.01984   -0.00210   -0.07105
 19 Pd    0.00655    0.00990   -0.02840
 20 Pd   -0.04059    0.00161    0.00291
 21 Pd    0.00398    0.00042    0.00013
 22 Au    0.00121   -0.00692    0.00473
 23 Pd   -0.01218   -0.00156    0.00994
 24 Pd    0.00519   -0.01256   -0.00858
 25 Pd   -0.00837   -0.00186    0.00407
 26 Au   -0.00081   -0.00099    0.02868
 27 Pd    0.02365   -0.01529    0.01335
 28 Au   -0.00414    0.00133    0.00170
 29 Au    0.02890   -0.00044   -0.00112
 30 Pd    0.00179   -0.02097    0.00843
 31 Pd   -0.00051   -0.00011    0.00942
 32 Pd   -0.00020    0.00752    0.01201
 33 Pd    0.01078    0.00334    0.00980
 34 Pd    0.00270    0.00787    0.02349
 35 Pd    0.00639   -0.00494    0.01574
 36 Pd   -0.00175    0.01092   -0.02808
 37 Pd    0.01587    0.01634    0.01264
 38 Pd   -0.00736   -0.00295   -0.02202
 39 Au   -0.00626   -0.00278   -0.01309
 40 Pd    0.00272    0.02007    0.01610

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.989860   -0.000658    9.920212    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.012336    2.024525   10.044092    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.001573    2.007912   11.997546    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.991608   -0.000623   12.008203    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.017738   -0.014041   13.999841    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.992493    2.008699   14.015625    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.012499    2.013920   16.006979    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.996325   -0.001125   16.022319    ( 0.0000,  0.0000,  0.0000)
   8 Au     3.006688   -0.000403   18.129803    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.977017    1.983427   18.014882    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.992910    4.013783   10.037460    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.013937    5.995961    9.932661    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.984844    6.015291   12.012275    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.992124    4.008950   12.016283    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.007838    4.024362   14.011054    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.992376    6.012461   14.002515    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.002047    6.005222   15.997992    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.999362    4.011301   16.029024    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.940605    4.013230   17.979249    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.976613    6.036226   18.000085    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.918080    4.014730   19.778684    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.994733   -0.003401   10.047644    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.960323    2.025200    9.927745    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.981610    2.007375   12.013332    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.983655   -0.012094   12.000712    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.969531   -0.013054   14.002116    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.982411    2.019228   13.995956    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.978541    2.019409   16.026522    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.978568   -0.016685   16.023832    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.987311   -0.000615   18.126696    ( 0.0000,  0.0000,  0.0000)
  30 Pd     1.023157    2.009064   18.012636    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.996495    4.013077   10.038509    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.963191    6.000592   10.045977    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.003340    6.014334   12.026943    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.983410    4.023845   12.005247    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.975793    4.025541   14.011561    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982681    6.001386   14.001029    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.987986    5.999500   16.016712    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.986077    4.024262   16.026344    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.081226    4.012330   18.122350    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.023336    6.015617   18.029888    ( 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 13:17:18  -118.842506  -2.97
iter:   2 13:18:24  -121.921100  -2.64  -2.55
iter:   3 13:19:29  -118.652308  -3.05  -1.97
iter:   4 13:20:33  -118.656580  -3.99  -3.28
iter:   5 13:21:36  -118.648486c -4.81  -3.13
iter:   6 13:22:40  -118.646605c -4.99  -3.43
iter:   7 13:23:42  -118.646657c -5.13  -3.62
iter:   8 13:24:44  -118.646127c -5.57  -3.64
iter:   9 13:25:47  -118.646009c -5.95  -3.88
iter:  10 13:26:53  -118.645903c -5.75  -3.97
iter:  11 13:28:01  -118.645834c -6.32  -4.11c
iter:  12 13:29:07  -118.645750c -6.54  -4.23c
iter:  13 13:30:11  -118.645831c -6.89  -4.38c
iter:  14 13:31:13  -118.645721c -6.71  -4.24c
iter:  15 13:32:16  -118.645722c -7.16  -4.48c
iter:  16 13:33:19  -118.645726c -7.48c -4.68c

Converged after 16 iterations.

Dipole moment: (-4.428837, 2.814525, 0.182206) |e|*Ang

Energy contributions relative to reference atoms: (reference = -8661686.411014)

Kinetic:       -207.428068
Potential:      +29.546926
External:        +0.000000
XC:             +63.420036
Entropy (-ST):   -2.343349
Local:           -3.012945
--------------------------
Free energy:   -119.817400
Extrapolated:  -118.645726

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.32836    1.36557
  0   307     -0.31369    1.30041
  0   308     -0.28827    1.18086
  0   309     -0.27072    1.09482

  1   306     -0.26278    1.05538
  1   307     -0.24826    0.98281
  1   308     -0.22079    0.84669
  1   309     -0.18057    0.65862


Fermi level: -0.25170

No gap

Forces in eV/Ang:
  0 Au    0.00106    0.00084   -0.00072
  1 Pd   -0.00327   -0.00682    0.00083
  2 Pd    0.00492    0.00748    0.00838
  3 Pd    0.00613    0.00232    0.00830
  4 Pd    0.00563   -0.00067   -0.00361
  5 Pd    0.00497   -0.00255    0.00767
  6 Pd    0.00117   -0.00575   -0.00427
  7 Pd    0.01492    0.00745   -0.00593
  8 Au    0.01955    0.00101   -0.01811
  9 Pd    0.00668    0.01069    0.00065
 10 Pd   -0.00639   -0.00096   -0.00410
 11 Au   -0.00317    0.00531    0.01882
 12 Pd    0.00274   -0.01028    0.00869
 13 Pd   -0.00326    0.00035    0.00829
 14 Pd    0.00126    0.00185    0.00617
 15 Pd    0.00424   -0.00054    0.00923
 16 Pd   -0.01512    0.00341   -0.00904
 17 Pd   -0.00338   -0.00661   -0.02195
 18 Pd    0.01837   -0.00152   -0.02641
 19 Pd    0.00615   -0.00972    0.00392
 20 Pd   -0.02024    0.00171    0.00126
 21 Pd   -0.00129    0.00130   -0.00573
 22 Au    0.00096    0.00061    0.01859
 23 Pd   -0.00393   -0.00181    0.00373
 24 Pd   -0.00748   -0.00103    0.00198
 25 Pd   -0.00209   -0.00089   -0.00291
 26 Au   -0.00041   -0.00251   -0.01102
 27 Pd    0.00130   -0.00679   -0.00312
 28 Au    0.00648   -0.01151   -0.01134
 29 Au    0.00515    0.00081   -0.00552
 30 Pd   -0.00773    0.00504    0.01219
 31 Pd    0.00313    0.00032    0.00884
 32 Pd    0.00237    0.00045    0.00198
 33 Pd   -0.00495   -0.00023    0.00361
 34 Pd    0.00355    0.00195    0.00739
 35 Pd   -0.00245    0.00276    0.00813
 36 Pd    0.00005    0.00691   -0.00673
 37 Pd    0.01554    0.00553   -0.00739
 38 Pd   -0.00574    0.01004   -0.00107
 39 Au   -0.03015   -0.00136   -0.01217
 40 Pd   -0.00718   -0.00700    0.00776

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    21.221    21.221   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                    111.156   111.156   1.3% ||
Hamiltonian:                                14.289     0.074   0.0% |
 Atomic:                                     2.298     1.057   0.0% |
  XC Correction:                             1.241     1.241   0.0% |
 Calculate atomic Hamiltonians:              8.060     8.060   0.1% |
 Communicate:                                0.048     0.048   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.058     0.058   0.0% |
 XC 3D grid:                                 3.750     3.750   0.0% |
LCAO initialization:                        87.806     0.406   0.0% |
 LCAO eigensolver:                           7.237     0.002   0.0% |
  Calculate projections:                     0.055     0.055   0.0% |
  DenseAtomicCorrection:                     0.052     0.052   0.0% |
  Distribute overlap matrix:                 0.006     0.006   0.0% |
  Orbital Layouts:                           0.328     0.328   0.0% |
  Potential matrix:                          6.763     6.763   0.1% |
  Sum over cells:                            0.032     0.032   0.0% |
 LCAO to grid:                              78.448    78.448   0.9% |
 Set positions (LCAO WFS):                   1.715     0.351   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.931     0.931   0.0% |
  ST tci:                                    0.334     0.334   0.0% |
  mktci:                                     0.096     0.096   0.0% |
PWDescriptor:                                0.845     0.845   0.0% |
Redistribute:                                0.033     0.033   0.0% |
SCF-cycle:                                8016.101   409.533   4.9% |-|
 Davidson:                                6765.258  1455.379  17.5% |------|
  Apply H:                                 510.723   499.799   6.0% |-|
   HMM T:                                   10.924    10.924   0.1% |
  Subspace diag:                          1097.132     0.039   0.0% |
   calc_h_matrix:                          750.110   217.235   2.6% ||
    Apply H:                               532.874   521.050   6.3% |--|
     HMM T:                                 11.825    11.825   0.1% |
   diagonalize:                             17.927    17.927   0.2% |
   rotate_psi:                             329.057   329.057   4.0% |-|
  calc. matrices:                         2391.681  1365.569  16.5% |------|
   Apply H:                               1026.112  1003.877  12.1% |----|
    HMM T:                                  22.234    22.234   0.3% |
  diagonalize:                             557.622   557.622   6.7% |--|
  rotate_psi:                              752.721   752.721   9.1% |---|
 Density:                                  501.830     0.008   0.0% |
  Atomic density matrices:                   1.653     1.653   0.0% |
  Mix:                                     191.224   191.224   2.3% ||
  Multipole moments:                         0.131     0.131   0.0% |
  Pseudo density:                          308.814   308.807   3.7% ||
   Symmetrize density:                       0.007     0.007   0.0% |
 Hamiltonian:                              311.262     1.578   0.0% |
  Atomic:                                   58.890    33.254   0.4% |
   XC Correction:                           25.636    25.636   0.3% |
  Calculate atomic Hamiltonians:           169.959   169.959   2.0% ||
  Communicate:                               0.267     0.267   0.0% |
  Poisson:                                   1.178     1.178   0.0% |
  XC 3D grid:                               79.390    79.390   1.0% |
 Orthonormalize:                            28.217     0.003   0.0% |
  calc_s_matrix:                             4.893     4.893   0.1% |
  inverse-cholesky:                          0.365     0.365   0.0% |
  projections:                              15.240    15.240   0.2% |
  rotate_psi_s:                              7.716     7.716   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      44.223    44.223   0.5% |
-------------------------------------------------------------------
Total:                                              8295.675 100.0%

Memory usage: 1.02 GiB
Date: Mon Mar 27 13:33:37 2023
