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

User:   lacmarco@node047.cluster
Date:   Mon Mar 27 11:14:48 2023
Arch:   x86_64
Pid:    5346
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: -8282309.293808

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: 182.47 MiB
  Calculator: 511.83 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: 442.70 MiB
      Arrays psit_nG: 202.25 MiB
      Eigensolver: 226.63 MiB
      Projections: 2.12 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: 471
Number of bands in calculation: 377
Number of valence electrons: 621
Bands to converge: occupied

... initialized

Initializing position-dependent things.

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

      .-------------------.  
     /|                   |  
    / |                   |  
   /  |                   |  
  /   |                   |  
 *    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |         Pd        |  
 |    |Pd        Au       |  
 |    |    Au        Pd   |  
 |    |                   |  
 |   Pd     Pd Pd     Pd  |  
 |    PdPd      PdAu      |  
 |    |Pd Pd     Pd Pd    |  
 | Pd |    PdPd      Pd   |  
 |   Pd     Pd Pd     Au  |  
 |    |                   |  
 |    AuAu      PdPd      |  
 |    |Pd Pd     Pd 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 Au     2.988209    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.993657    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.988209    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.993657    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.988209    0.000000   18.021790    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993657    2.005447   18.021790    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.988209    4.010895   10.000000    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.993657    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  12 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 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 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 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 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 Au     6.999104    4.010895   10.000000    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.982762    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.999104    6.016342   12.005447    ( 0.0000,  0.0000,  0.0000)
  34 Au     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 Pd     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 11:17:28  -153.863851
iter:   2 11:18:25  -144.973145  -1.25  -1.20
iter:   3 11:19:22  -138.853965  -1.69  -1.26
iter:   4 11:20:18  -184.172816  -0.58  -1.30
iter:   5 11:21:14  -129.849616  -1.11  -1.27
iter:   6 11:22:11  -124.586268  -1.64  -1.72
iter:   7 11:23:16  -122.077717  -2.40  -1.79
iter:   8 11:24:15  -119.937197  -1.92  -1.86
iter:   9 11:25:12  -118.757401  -2.49  -1.93
iter:  10 11:26:09  -118.519337  -2.53  -2.05
iter:  11 11:27:07  -118.759863c -2.87  -2.14
iter:  12 11:28:04  -118.443593  -3.34  -2.16
iter:  13 11:29:00  -118.360263  -3.13  -2.20
iter:  14 11:30:08  -118.357937c -3.12  -2.28
iter:  15 11:31:04  -118.424021c -3.41  -2.42
iter:  16 11:32:01  -118.179229c -3.39  -2.38
iter:  17 11:32:57  -118.176120c -3.68  -2.72
iter:  18 11:33:53  -118.168089c -4.34  -2.84
iter:  19 11:34:48  -118.156410c -4.29  -2.85
iter:  20 11:35:43  -118.154568c -4.28  -3.04
iter:  21 11:36:39  -118.153240c -4.64  -3.16
iter:  22 11:37:34  -118.153079c -5.28  -3.33
iter:  23 11:38:25  -118.151169c -5.42  -3.32
iter:  24 11:39:23  -118.150821c -5.29  -3.58
iter:  25 11:40:22  -118.150719c -5.75  -3.73
iter:  26 11:41:20  -118.150854c -6.37  -3.87
iter:  27 11:42:19  -118.150800c -6.24  -3.92
iter:  28 11:43:17  -118.150810c -6.62  -4.06c
iter:  29 11:44:15  -118.150754c -6.46  -4.10c
iter:  30 11:45:11  -118.150598c -6.52  -3.92
iter:  31 11:46:07  -118.150555c -7.06  -4.37c
iter:  32 11:47:00  -118.150568c -7.23  -4.45c
iter:  33 11:47:57  -118.150562c -7.42c -4.62c

Converged after 33 iterations.

Dipole moment: (-2.578407, 0.109512, 0.214354) |e|*Ang

Energy contributions relative to reference atoms: (reference = -8282309.293808)

Kinetic:       -195.099283
Potential:      +16.576400
External:        +0.000000
XC:             +64.843148
Entropy (-ST):   -2.398233
Local:           -3.271711
--------------------------
Free energy:   -119.349679
Extrapolated:  -118.150562

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   308     -0.28585    1.39273
  0   309     -0.26838    1.31642
  0   310     -0.24243    1.19538
  0   311     -0.22541    1.11239

  1   308     -0.23805    1.17426
  1   309     -0.21144    1.04299
  1   310     -0.20545    1.01302
  1   311     -0.18600    0.91597


Fermi level: -0.20284

No gap

Forces in eV/Ang:
  0 Pd    0.00193   -0.00910    0.20123
  1 Pd   -0.07169   -0.06983    0.19068
  2 Pd    0.10931   -0.01989   -0.18748
  3 Pd   -0.01652    0.11836   -0.17788
  4 Au    0.00380   -0.00009   -0.03338
  5 Pd    0.15370    0.15258   -0.03421
  6 Pd   -0.03039   -0.05034    0.01387
  7 Pd   -0.04237    0.12511    0.01846
  8 Pd   -0.09721    0.11543   -0.16899
  9 Pd    0.05218    0.01165    0.11560
 10 Pd    0.13469    0.00837    0.10331
 11 Pd   -0.20359    0.06872    0.06403
 12 Pd    0.11039    0.01810   -0.20035
 13 Pd   -0.29562   -0.12328    0.01293
 14 Pd    0.15872    0.00710    0.13720
 15 Pd    0.01731   -0.17340    0.09561
 16 Pd   -0.16820    0.04847   -0.09833
 17 Pd    0.13187   -0.15606   -0.30356
 18 Au   -0.24810   -0.15976    0.56812
 19 Au    0.04766    0.12891    0.60268
 20 Pd    0.05257   -0.05445   -0.94413
 21 Pd    0.00271    0.12650    0.09438
 22 Pd    0.06720   -0.20319    0.06090
 23 Pd   -0.10502   -0.30291    0.05544
 24 Pd    0.01499    0.12281   -0.20986
 25 Pd   -0.01235    0.12843    0.14260
 26 Pd   -0.14923    0.01684    0.14788
 27 Pd    0.03853    0.11743   -0.09661
 28 Pd    0.04327    0.00293    0.03870
 29 Au    0.14753    0.14577    0.30466
 30 Pd   -0.04469   -0.00804   -0.15737
 31 Au   -0.18083   -0.17699   -0.64342
 32 Pd    0.19938    0.19796   -0.07468
 33 Au   -0.15686    0.39825    0.06158
 34 Au    0.39335   -0.16599    0.06218
 35 Pd   -0.13298   -0.12353    0.25463
 36 Pd   -0.01727   -0.02280    0.25519
 37 Pd    0.17230   -0.11291   -0.19108
 38 Pd   -0.12003    0.00986    0.06849
 39 Pd    0.08284   -0.13756    0.05099
 40 Pd   -0.03296    0.00095   -0.16471

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.988402   -0.000910   10.020123    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.986488    1.998465   10.019068    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.999141    2.003458   11.986699    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.992005    0.011836   11.987659    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.988589   -0.000009   14.007556    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.009027    2.020706   14.007473    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.985170    2.000414   16.017729    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.989420    0.012511   16.018188    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.978488    0.011543   18.004890    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.998874    2.006613   18.033349    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.001678    4.011732   10.010331    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.973298    6.023214   10.006403    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.999248    6.018152   11.985412    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.964095    3.998566   12.006740    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.004081    4.011605   14.024615    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.995388    5.999002   14.020456    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.971389    6.021189   16.006509    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.006844    3.995288   15.985986    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.963399    3.994919   18.078602    ( 0.0000,  0.0000,  0.0000)
  19 Au     4.998423    6.029233   18.082057    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.998914    4.005449   19.932824    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.999375    0.012650   10.009438    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.989481    1.985128   10.006090    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.988602    1.975157   12.010992    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.984261    0.012281   11.984462    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.997869    0.012843   14.025155    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.967839    2.007131   14.025683    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.002957    2.017191   16.006681    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.987089    0.000293   16.020212    ( 0.0000,  0.0000,  0.0000)
  29 Au     7.013857    0.014577   18.052256    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.978293    2.004643   18.006053    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.981021    3.993196    9.935658    ( 0.0000,  0.0000,  0.0000)
  32 Pd     1.002700    6.036138    9.992532    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.983418    6.056167   12.011605    ( 0.0000,  0.0000,  0.0000)
  34 Au     1.022097    3.994296   12.011665    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.985806    3.998541   14.036357    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.981034    6.014062   14.036414    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.016334    6.005051   15.997235    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.970758    4.011881   16.023192    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.007388    3.997139   18.026888    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.979465    6.016437   18.005319    ( 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 11:49:27  -119.863356  -1.66
iter:   2 11:50:27  -120.699215  -2.24  -2.15
iter:   3 11:51:27  -121.058373  -2.40  -2.03
iter:   4 11:52:27  -118.527940  -2.90  -2.02
iter:   5 11:53:26  -118.481784  -3.16  -2.57
iter:   6 11:54:25  -118.400582c -3.68  -2.58
iter:   7 11:55:25  -118.383491c -3.55  -2.82
iter:   8 11:56:24  -118.380998c -4.08  -2.98
iter:   9 11:57:24  -118.377623c -4.69  -3.10
iter:  10 11:58:23  -118.375599c -4.74  -3.14
iter:  11 11:59:22  -118.374410c -4.84  -3.26
iter:  12 12:00:22  -118.374343c -5.14  -3.38
iter:  13 12:01:21  -118.374380c -5.46  -3.50
iter:  14 12:02:20  -118.373793c -5.26  -3.59
iter:  15 12:03:21  -118.373839c -5.53  -3.79
iter:  16 12:04:21  -118.373704c -5.97  -3.90
iter:  17 12:05:20  -118.373619c -6.37  -3.82
iter:  18 12:06:21  -118.373484c -6.46  -3.99
iter:  19 12:07:20  -118.373416c -6.54  -4.06c
iter:  20 12:08:21  -118.373501c -6.49  -4.20c
iter:  21 12:09:21  -118.373490c -7.06  -4.26c
iter:  22 12:10:20  -118.373549c -6.96  -4.37c
iter:  23 12:11:21  -118.373510c -6.98  -4.53c
iter:  24 12:12:21  -118.373538c -7.52c -4.48c

Converged after 24 iterations.

Dipole moment: (-2.342078, -3.885155, 0.205354) |e|*Ang

Energy contributions relative to reference atoms: (reference = -8282309.293808)

Kinetic:       -200.304212
Potential:      +21.021875
External:        +0.000000
XC:             +65.389918
Entropy (-ST):   -2.403046
Local:           -3.279596
--------------------------
Free energy:   -119.575060
Extrapolated:  -118.373538

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   308     -0.29990    1.41241
  0   309     -0.27143    1.28780
  0   310     -0.25113    1.19224
  0   311     -0.23080    1.09277

  1   308     -0.24959    1.18481
  1   309     -0.21412    1.00963
  1   310     -0.21163    0.99717
  1   311     -0.19407    0.90960


Fermi level: -0.21220

No gap

Forces in eV/Ang:
  0 Pd    0.01235    0.00602    0.02329
  1 Pd   -0.02466   -0.02990    0.02831
  2 Pd    0.02862   -0.08095    0.04759
  3 Pd   -0.07911    0.03720    0.05332
  4 Au    0.03108    0.03605   -0.12077
  5 Pd   -0.01374   -0.04388   -0.04568
  6 Pd    0.01329    0.07943    0.01878
  7 Pd    0.06336   -0.02390    0.11929
  8 Pd   -0.03659    0.05267   -0.08772
  9 Pd    0.03212   -0.07870   -0.05470
 10 Pd    0.06729   -0.00330   -0.05081
 11 Pd   -0.04896    0.00412    0.00760
 12 Pd    0.00444    0.05777    0.04948
 13 Pd    0.09010    0.00834   -0.04073
 14 Pd    0.00779   -0.02775    0.10719
 15 Pd   -0.01023    0.01118    0.03883
 16 Pd    0.09420   -0.09951    0.13855
 17 Pd   -0.10241    0.04480    0.18974
 18 Au   -0.20081   -0.03055    0.10982
 19 Au    0.01482    0.19918    0.04619
 20 Pd    0.10860   -0.11681   -0.38510
 21 Pd   -0.00788    0.06838   -0.05500
 22 Pd   -0.00201   -0.04892    0.00258
 23 Pd    0.02660    0.08588   -0.01387
 24 Pd    0.05526    0.01568    0.04487
 25 Pd   -0.02207    0.03062    0.11575
 26 Pd    0.00276    0.00285    0.02557
 27 Pd   -0.00103   -0.06620    0.06586
 28 Pd   -0.05305    0.03417    0.01462
 29 Au    0.04524    0.05413    0.11101
 30 Pd   -0.04573   -0.01244   -0.07280
 31 Au   -0.01048   -0.01460   -0.11382
 32 Pd    0.01397    0.01301    0.02180
 33 Au    0.07102   -0.19102   -0.04076
 34 Au   -0.19208    0.05801   -0.02957
 35 Pd    0.06415    0.01404   -0.19655
 36 Pd   -0.02257   -0.03603   -0.07925
 37 Pd   -0.08551    0.06399    0.09357
 38 Pd    0.06581   -0.03159    0.08330
 39 Pd    0.09234   -0.04601   -0.06086
 40 Pd   -0.03524    0.00365   -0.08054

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.989769   -0.000447   10.026704    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.982384    1.993835   10.025974    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.004433    1.994348   11.988022    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.983161    0.018234   11.989792    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.992008    0.003867   13.993890    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.010662    2.019076   14.001867    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.985984    2.007938   16.020030    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.995377    0.012475   16.031392    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.972583    0.019546   17.992033    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.003385    1.998384   18.029806    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.011643    4.011546   10.006957    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.963909    6.025050   10.008517    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.001961    6.024733   11.986677    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.967800    3.996967   12.002620    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.008133    4.008764   14.038922    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.994637    5.996693   14.026569    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.978115    6.011467   16.019421    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.998499    3.996947   16.000247    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.936775    3.988398   18.101919    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.000982    6.053267   18.099230    ( 0.0000,  0.0000,  0.0000)
  20 Pd     5.011659    3.991783   19.872284    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.998582    0.022566   10.005434    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.990626    1.975751   10.007601    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.989337    1.978261   12.010622    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.990508    0.016455   11.985038    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.995246    0.018738   14.040492    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.965114    2.007778   14.031427    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.003627    2.012448   16.011809    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.982259    0.004028   16.022568    ( 0.0000,  0.0000,  0.0000)
  29 Au     7.021711    0.023350   18.070365    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.972469    2.003142   17.995036    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.976232    3.988042    9.910387    ( 0.0000,  0.0000,  0.0000)
  32 Pd     1.008240    6.041546    9.993365    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.987881    6.043685   12.008468    ( 0.0000,  0.0000,  0.0000)
  34 Au     1.009403    3.997174   12.009744    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.990012    3.997550   14.020373    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.978257    6.009725   14.033058    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.010626    6.009648   16.003430    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.975406    4.008683   16.033538    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.018997    3.989404   18.021375    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.975007    6.016849   17.993321    ( 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 12:13:51  -120.527464  -2.24
iter:   2 12:14:51  -147.458713  -1.52  -2.03
iter:   3 12:15:52  -121.071445  -2.09  -1.51
iter:   4 12:16:52  -118.663360  -2.57  -2.12
iter:   5 12:17:47  -118.456613  -3.27  -2.63
iter:   6 12:18:40  -118.445761c -3.99  -3.00
iter:   7 12:19:39  -118.440357c -4.39  -3.04
iter:   8 12:20:40  -118.433071c -4.60  -3.11
iter:   9 12:21:40  -118.432503c -4.66  -3.28
iter:  10 12:22:39  -118.431854c -5.12  -3.42
iter:  11 12:23:40  -118.430980c -5.52  -3.51
iter:  12 12:24:39  -118.430803c -5.34  -3.64
iter:  13 12:25:39  -118.431263c -5.70  -3.82
iter:  14 12:26:35  -118.431093c -6.08  -3.65
iter:  15 12:27:33  -118.430819c -6.13  -3.91
iter:  16 12:28:31  -118.430800c -6.32  -4.02c
iter:  17 12:29:29  -118.430725c -6.24  -4.14c
iter:  18 12:30:28  -118.430615c -6.54  -4.16c
iter:  19 12:31:26  -118.430633c -6.83  -4.29c
iter:  20 12:32:25  -118.430457c -6.75  -4.32c
iter:  21 12:33:25  -118.430528c -7.21  -4.17c
iter:  22 12:34:23  -118.430526c -7.71c -4.62c

Converged after 22 iterations.

Dipole moment: (-2.359613, -6.216728, 0.194541) |e|*Ang

Energy contributions relative to reference atoms: (reference = -8282309.293808)

Kinetic:       -200.237915
Potential:      +20.830389
External:        +0.000000
XC:             +65.440502
Entropy (-ST):   -2.399078
Local:           -3.263963
--------------------------
Free energy:   -119.630065
Extrapolated:  -118.430526

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   308     -0.30681    1.41338
  0   309     -0.27684    1.28201
  0   310     -0.25877    1.19687
  0   311     -0.23492    1.08006

  1   308     -0.25786    1.19250
  1   309     -0.21838    0.99755
  1   310     -0.21713    0.99129
  1   311     -0.19996    0.90574


Fermi level: -0.21887

No gap

Forces in eV/Ang:
  0 Pd    0.00714    0.00361   -0.05199
  1 Pd   -0.00361   -0.01159   -0.02175
  2 Pd   -0.06632    0.10304    0.04462
  3 Pd    0.10529   -0.07011    0.04914
  4 Au   -0.00532   -0.02944    0.12060
  5 Pd   -0.00337   -0.00270    0.04096
  6 Pd    0.03752    0.00714   -0.01787
  7 Pd   -0.00974   -0.01656    0.02631
  8 Pd   -0.04109    0.03442   -0.04828
  9 Pd   -0.01073   -0.09269   -0.10087
 10 Pd   -0.00223   -0.01545    0.01126
 11 Pd    0.01562    0.01186    0.01372
 12 Pd   -0.02324   -0.06650    0.07208
 13 Pd    0.04380    0.03235   -0.02403
 14 Pd   -0.03410   -0.01250   -0.03059
 15 Pd    0.01247    0.02391    0.01050
 16 Pd    0.05776   -0.00306    0.06010
 17 Pd   -0.01122    0.04032    0.16458
 18 Au   -0.10648    0.01082    0.03979
 19 Au   -0.00852    0.12751   -0.02457
 20 Pd    0.10367   -0.09361   -0.11259
 21 Pd   -0.01920    0.00318    0.00951
 22 Pd    0.00595    0.01553    0.00630
 23 Pd    0.03599    0.03573   -0.03039
 24 Pd   -0.06618   -0.02363    0.06812
 25 Pd   -0.01644   -0.04471   -0.03084
 26 Pd    0.03424    0.01444   -0.01158
 27 Pd   -0.04472    0.01539   -0.00485
 28 Pd    0.02433   -0.02906   -0.06247
 29 Au    0.03991    0.01156    0.10048
 30 Pd   -0.02368   -0.03218    0.00635
 31 Au    0.00650    0.00029   -0.06110
 32 Pd   -0.01095   -0.01320    0.02207
 33 Au   -0.00786   -0.00341   -0.06859
 34 Au   -0.00038   -0.00644   -0.08095
 35 Pd   -0.00320    0.00982   -0.00071
 36 Pd    0.02305    0.01099   -0.00372
 37 Pd   -0.06510   -0.00049    0.06075
 38 Pd   -0.00540    0.01332   -0.03577
 39 Pd    0.07543    0.01279   -0.10731
 40 Pd   -0.03682    0.03272   -0.03070

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.991315    0.000168   10.024144    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.979637    1.989829   10.027428    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.998841    2.003623   11.993196    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.992868    0.012695   11.995975    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.992848    0.001740   14.003354    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.011944    2.018999   14.004506    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.991032    2.011858   16.018807    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.996460    0.011116   16.040762    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.963995    0.028309   17.978974    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.004317    1.982758   18.015859    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.016625    4.009506   10.007608    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.960478    6.027851   10.011653    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.000850    6.019091   11.995318    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.973214    3.999673   11.997758    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.006512    4.005928   14.042140    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.996044    5.997660   14.031254    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.987509    6.007098   16.032302    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.994216    4.001914   16.025995    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.909550    3.985890   18.121083    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.001311    6.081313   18.107527    ( 0.0000,  0.0000,  0.0000)
  20 Pd     5.031125    3.973208   19.824777    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.995749    0.028177   10.005521    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.992344    1.972317   10.009484    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.993665    1.982310   12.006862    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.984741    0.016017   11.992798    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.991867    0.016350   14.044168    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.967401    2.010054   14.033415    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.998348    2.013125   16.012809    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.983581    0.001909   16.015723    ( 0.0000,  0.0000,  0.0000)
  29 Au     7.031333    0.029673   18.093423    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.966525    1.998237   17.989980    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.973790    3.984654    9.887095    ( 0.0000,  0.0000,  0.0000)
  32 Pd     1.010555    6.043501    9.996121    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.987803    6.040330   11.998552    ( 0.0000,  0.0000,  0.0000)
  34 Au     1.006317    3.996523   11.998759    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.990584    3.997586   14.014890    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.979921    6.009095   14.032755    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.000750    6.010876   16.012830    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.975971    4.009071   16.033888    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.034482    3.986762   18.005300    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.968031    6.021299   17.982959    ( 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 12:35:52  -120.453028  -2.31
iter:   2 12:36:51  -147.274559  -1.54  -2.05
iter:   3 12:37:49  -120.836475  -2.15  -1.51
iter:   4 12:38:48  -118.570399  -2.61  -2.12
iter:   5 12:39:47  -118.475896  -3.39  -2.78
iter:   6 12:40:44  -118.474375c -4.23  -3.11
iter:   7 12:41:42  -118.469131c -4.63  -3.12
iter:   8 12:42:41  -118.473333c -4.51  -3.25
iter:   9 12:43:39  -118.464140c -4.90  -3.15
iter:  10 12:44:38  -118.463916c -5.30  -3.55
iter:  11 12:45:38  -118.463226c -5.61  -3.64
iter:  12 12:46:36  -118.463509c -5.85  -3.71
iter:  13 12:47:35  -118.463051c -5.57  -3.76
iter:  14 12:48:33  -118.463157c -6.06  -3.77
iter:  15 12:49:32  -118.463002c -6.39  -4.03c
iter:  16 12:50:32  -118.462943c -6.35  -3.93
iter:  17 12:51:30  -118.462943c -6.40  -4.21c
iter:  18 12:52:29  -118.462860c -6.81  -4.29c
iter:  19 12:53:29  -118.462926c -6.98  -4.37c
iter:  20 12:54:28  -118.462772c -7.24  -4.34c
iter:  21 12:55:25  -118.462798c -7.61c -4.49c

Converged after 21 iterations.

Dipole moment: (-2.397483, -6.522060, 0.182816) |e|*Ang

Energy contributions relative to reference atoms: (reference = -8282309.293808)

Kinetic:       -200.225160
Potential:      +20.730215
External:        +0.000000
XC:             +65.480926
Entropy (-ST):   -2.393006
Local:           -3.252276
--------------------------
Free energy:   -119.659301
Extrapolated:  -118.462798

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   308     -0.31268    1.40732
  0   309     -0.28326    1.27781
  0   310     -0.26820    1.20696
  0   311     -0.24111    1.07440

  1   308     -0.26585    1.19567
  1   309     -0.22596    0.99878
  1   310     -0.22219    0.97994
  1   311     -0.20585    0.89859


Fermi level: -0.22620

No gap

Forces in eV/Ang:
  0 Pd    0.00281    0.00208    0.02204
  1 Pd   -0.00599   -0.00905   -0.00200
  2 Pd    0.00345   -0.01109    0.04015
  3 Pd   -0.00744   -0.00636    0.03977
  4 Au    0.02056   -0.01500    0.04334
  5 Pd   -0.00394    0.02496    0.02820
  6 Pd   -0.00185    0.02733   -0.00689
  7 Pd    0.01821   -0.00583   -0.04444
  8 Pd   -0.05247    0.01760    0.01879
  9 Pd   -0.03296   -0.05165   -0.06664
 10 Pd   -0.00957   -0.00257   -0.00351
 11 Pd    0.01083    0.00863   -0.00630
 12 Pd   -0.01177   -0.00812    0.03634
 13 Pd    0.03265    0.00314    0.00419
 14 Pd    0.00637    0.02111   -0.02392
 15 Pd    0.01510   -0.02184    0.00508
 16 Pd    0.00368   -0.01680    0.00806
 17 Pd   -0.01129    0.03063    0.06137
 18 Au   -0.00509    0.02001   -0.00506
 19 Au   -0.02656    0.00177    0.00777
 20 Pd    0.07133   -0.04181    0.01347
 21 Pd   -0.00364   -0.01269   -0.00185
 22 Pd    0.00949    0.00762   -0.01303
 23 Pd   -0.00263    0.02784   -0.00698
 24 Pd   -0.00248   -0.02192    0.03855
 25 Pd    0.00403   -0.03443   -0.03766
 26 Pd    0.00158    0.00958   -0.01371
 27 Pd   -0.00263   -0.01837   -0.04378
 28 Pd   -0.03422   -0.01517   -0.03711
 29 Au    0.03712    0.00201    0.03715
 30 Pd    0.00068   -0.02657    0.01040
 31 Au    0.00458    0.00402   -0.01641
 32 Pd   -0.00331   -0.00207    0.00594
 33 Au    0.01076   -0.01489   -0.01971
 34 Au   -0.01371    0.01664   -0.03035
 35 Pd   -0.02705    0.02601    0.05718
 36 Pd   -0.00796   -0.01328    0.01782
 37 Pd   -0.01006    0.01146   -0.00139
 38 Pd    0.00340    0.01717   -0.08105
 39 Pd    0.03681    0.03260   -0.06633
 40 Pd   -0.01457    0.04143    0.01341

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.992184    0.000619   10.027457    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.977691    1.987147   10.028512    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.998806    2.003128   11.999511    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.992979    0.011531   12.002566    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.996119   -0.000231   14.009454    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.012079    2.022223   14.008071    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.991961    2.017106   16.017924    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.999720    0.010197   16.038588    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.954461    0.033598   17.976860    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.000809    1.971639   18.003819    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.017789    4.008711   10.007019    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.959807    6.029885   10.011841    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.999514    6.017580   12.001875    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.978756    4.000349   11.996770    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.007643    4.007736   14.041555    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.998254    5.994555   14.033770    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.990646    6.002866   16.037579    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.990978    4.007015   16.040976    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.899509    3.987005   18.128011    ( 0.0000,  0.0000,  0.0000)
  19 Au     4.998271    6.090662   18.113062    ( 0.0000,  0.0000,  0.0000)
  20 Pd     5.046257    3.962013   19.807939    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.994562    0.029057   10.004940    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.994171    1.971227   10.008445    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.994238    1.986847   12.005145    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.983898    0.013689   11.999359    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.991330    0.012169   14.042018    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.967620    2.011899   14.032905    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.996968    2.010457   16.007805    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.978893   -0.000096   16.009697    ( 0.0000,  0.0000,  0.0000)
  29 Au     7.039377    0.032518   18.105801    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.964577    1.993509   17.988758    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.973084    3.983629    9.876145    ( 0.0000,  0.0000,  0.0000)
  32 Pd     1.011508    6.044519    9.997513    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.989530    6.036650   11.993506    ( 0.0000,  0.0000,  0.0000)
  34 Au     1.002819    3.998696   11.992233    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.987520    4.000730   14.019570    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.978904    6.006692   14.034914    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.996799    6.013048   16.015219    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.976944    4.011034   16.024677    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.044137    3.989373   17.992528    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.964039    6.027731   17.980841    ( 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 12:56:54  -118.726136  -2.81
iter:   2 12:57:53  -123.154030  -2.51  -2.50
iter:   3 12:58:50  -118.483681  -2.91  -1.89
iter:   4 12:59:51  -118.486204  -3.97  -3.21
iter:   5 13:00:48  -118.478522c -4.75  -3.15
iter:   6 13:01:46  -118.476853c -4.98  -3.35
iter:   7 13:02:46  -118.475772c -5.23  -3.46
iter:   8 13:03:43  -118.474956c -5.26  -3.61
iter:   9 13:04:41  -118.474839c -5.81  -3.87
iter:  10 13:05:40  -118.475081c -5.73  -3.95
iter:  11 13:06:39  -118.474619c -6.12  -4.07c
iter:  12 13:07:37  -118.474677c -6.37  -3.82
iter:  13 13:08:36  -118.474584c -6.70  -4.28c
iter:  14 13:09:34  -118.474525c -6.82  -4.29c
iter:  15 13:10:32  -118.474545c -6.93  -4.49c
iter:  16 13:11:30  -118.474575c -7.18  -4.62c
iter:  17 13:12:27  -118.474517c -7.58c -4.67c

Converged after 17 iterations.

Dipole moment: (-2.406612, -6.368312, 0.178692) |e|*Ang

Energy contributions relative to reference atoms: (reference = -8282309.293808)

Kinetic:       -200.563627
Potential:      +21.019273
External:        +0.000000
XC:             +65.521851
Entropy (-ST):   -2.388075
Local:           -3.257977
--------------------------
Free energy:   -119.668554
Extrapolated:  -118.474517

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   308     -0.31600    1.40663
  0   309     -0.28634    1.27595
  0   310     -0.27182    1.20760
  0   311     -0.24428    1.07286

  1   308     -0.26882    1.19320
  1   309     -0.22917    0.99745
  1   310     -0.22447    0.97395
  1   311     -0.20847    0.89435


Fermi level: -0.22968

No gap

Forces in eV/Ang:
  0 Pd   -0.00209   -0.00328    0.02928
  1 Pd   -0.00361   -0.00403    0.00269
  2 Pd   -0.00227    0.00595    0.01800
  3 Pd    0.00725   -0.00529    0.01520
  4 Au   -0.00068   -0.01189    0.03469
  5 Pd    0.00268    0.02513    0.01839
  6 Pd   -0.02572    0.00466   -0.00920
  7 Pd    0.00636   -0.01942   -0.01552
  8 Pd   -0.02700   -0.00404    0.00221
  9 Pd   -0.01190   -0.01716   -0.02826
 10 Pd   -0.00383   -0.00067    0.01041
 11 Pd    0.00278    0.00543   -0.00209
 12 Pd    0.00323   -0.00939    0.00633
 13 Pd    0.00185   -0.00216   -0.00428
 14 Pd    0.01132    0.01580   -0.02863
 15 Pd    0.00658   -0.01707   -0.00359
 16 Pd   -0.01570    0.01575    0.00098
 17 Pd   -0.00365    0.01145    0.01826
 18 Au    0.02236    0.01499   -0.00700
 19 Au   -0.01497   -0.00696    0.01159
 20 Pd    0.04680   -0.03072    0.01087
 21 Pd    0.00099   -0.01032    0.01195
 22 Pd    0.00899   -0.00096   -0.00066
 23 Pd   -0.00372    0.00285    0.00184
 24 Pd   -0.00066   -0.00291    0.01202
 25 Pd    0.00064   -0.01378   -0.04676
 26 Pd   -0.00108    0.00612   -0.02661
 27 Pd    0.00994   -0.01569   -0.01602
 28 Pd   -0.01186   -0.00157   -0.02116
 29 Au   -0.01262   -0.00866    0.00534
 30 Pd    0.00416    0.01420   -0.01183
 31 Au   -0.00014    0.00112   -0.00747
 32 Pd    0.00505    0.00657   -0.01010
 33 Au   -0.00629    0.00480   -0.00247
 34 Au    0.00584   -0.00847    0.00450
 35 Pd   -0.01469    0.01012    0.03308
 36 Pd   -0.00266   -0.00544    0.00232
 37 Pd   -0.00129    0.02358    0.00698
 38 Pd    0.00894    0.00389   -0.02320
 39 Pd    0.01685    0.01486   -0.04126
 40 Pd    0.00213    0.01595    0.00933

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.992313    0.000327   10.033127    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.976146    1.985198   10.029676    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.998393    2.003831   12.004762    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.994109    0.010381   12.007580    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.997298   -0.002522   14.016302    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.012604    2.026840   14.011786    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.988665    2.020225   16.016314    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.002208    0.006740   16.037002    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.946542    0.035582   17.975008    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.998235    1.964081   17.994616    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.018442    4.008222   10.008166    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.959330    6.031584   10.011863    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.999640    6.015779   12.005616    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.981547    4.000370   11.995219    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.009793    4.010348   14.038049    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.999961    5.991011   14.034617    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.990348    6.003024   16.041091    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.988485    4.010872   16.051140    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.896595    3.989175   18.131375    ( 0.0000,  0.0000,  0.0000)
  19 Au     4.995197    6.095700   18.117758    ( 0.0000,  0.0000,  0.0000)
  20 Pd     5.060100    3.951838   19.798146    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.994125    0.028664   10.006255    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.996243    1.970047   10.008197    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.994234    1.989369   12.004609    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.983617    0.012700   12.003884    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.990888    0.008936   14.035335    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.967584    2.013574   14.029052    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.997778    2.006843   16.004304    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.975343   -0.000818   16.004321    ( 0.0000,  0.0000,  0.0000)
  29 Au     7.040895    0.032927   18.112807    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.963896    1.993862   17.985614    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.972509    3.983065    9.868999    ( 0.0000,  0.0000,  0.0000)
  32 Pd     1.012945    6.046181    9.996663    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.989518    6.034880   11.990725    ( 0.0000,  0.0000,  0.0000)
  34 Au     1.001271    3.998346   11.990093    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.984754    4.003279   14.024451    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.978104    6.004798   14.035476    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.994268    6.017828   16.018170    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.979071    4.012025   16.018983    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.051353    3.991869   17.980884    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.962446    6.032446   17.980304    ( 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 13:13:55  -118.775354  -3.00
iter:   2 13:14:56  -124.369316  -2.42  -2.48
iter:   3 13:15:54  -118.501941  -2.84  -1.85
iter:   4 13:16:47  -118.497987  -3.73  -3.05
iter:   5 13:17:46  -118.482847c -4.73  -3.10
iter:   6 13:18:46  -118.481029c -5.17  -3.43
iter:   7 13:19:46  -118.481187c -5.39  -3.61
iter:   8 13:20:48  -118.480040c -5.41  -3.64
iter:   9 13:21:48  -118.479999c -5.98  -3.99
iter:  10 13:22:43  -118.479780c -6.10  -4.06c
iter:  11 13:23:41  -118.479857c -6.23  -4.14c
iter:  12 13:24:38  -118.479808c -6.66  -4.38c
iter:  13 13:25:33  -118.479681c -6.90  -4.47c
iter:  14 13:26:35  -118.479737c -7.02  -4.26c
iter:  15 13:27:35  -118.479736c -7.23  -4.69c
iter:  16 13:28:31  -118.479774c -7.53c -4.79c

Converged after 16 iterations.

Dipole moment: (-2.402096, -5.899395, 0.175554) |e|*Ang

Energy contributions relative to reference atoms: (reference = -8282309.293808)

Kinetic:       -200.397038
Potential:      +20.877256
External:        +0.000000
XC:             +65.492185
Entropy (-ST):   -2.384820
Local:           -3.259768
--------------------------
Free energy:   -119.672184
Extrapolated:  -118.479774

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   308     -0.31697    1.40418
  0   309     -0.28829    1.27775
  0   310     -0.27309    1.20626
  0   311     -0.24559    1.07163

  1   308     -0.26944    1.18870
  1   309     -0.23151    1.00134
  1   310     -0.22539    0.97076
  1   311     -0.20945    0.89146


Fermi level: -0.23124

No gap

Forces in eV/Ang:
  0 Pd   -0.00004   -0.00208    0.02933
  1 Pd   -0.00133   -0.00252    0.00852
  2 Pd    0.00916   -0.00462    0.00773
  3 Pd   -0.00716    0.00580    0.00610
  4 Au    0.00215    0.00036   -0.00171
  5 Pd   -0.00163    0.00427    0.01287
  6 Pd   -0.01208   -0.00466   -0.01158
  7 Pd   -0.00792   -0.00520   -0.01078
  8 Pd   -0.00855   -0.00665   -0.00134
  9 Pd   -0.00587    0.00316   -0.00766
 10 Pd   -0.00155   -0.00043    0.01313
 11 Pd   -0.00074    0.00150    0.00066
 12 Pd    0.00481    0.00083   -0.00531
 13 Pd   -0.00259   -0.00508   -0.00636
 14 Pd    0.00858    0.01003   -0.00101
 15 Pd   -0.00269   -0.00563    0.00092
 16 Pd   -0.01623    0.01101   -0.00936
 17 Pd   -0.00058   -0.00088   -0.01218
 18 Au    0.03596    0.00937   -0.00321
 19 Au   -0.01148   -0.02068    0.01986
 20 Pd    0.03000   -0.01901   -0.00001
 21 Pd    0.00321   -0.00380    0.01555
 22 Pd    0.00402   -0.00297    0.00868
 23 Pd   -0.00843   -0.00183    0.00087
 24 Pd    0.00649   -0.00061   -0.00224
 25 Pd   -0.00239    0.00488   -0.01585
 26 Pd   -0.00564    0.00023   -0.01042
 27 Pd    0.00728   -0.01074   -0.01078
 28 Pd   -0.01351    0.00703   -0.00266
 29 Au   -0.01601   -0.00077   -0.01009
 30 Pd   -0.00047    0.01508   -0.01239
 31 Au    0.00050   -0.00097    0.00682
 32 Pd    0.00430    0.00276   -0.00305
 33 Au   -0.00058   -0.00512   -0.00173
 34 Au    0.00042   -0.00006    0.00600
 35 Pd   -0.00065    0.00253    0.01773
 36 Pd   -0.00438   -0.00353   -0.00279
 37 Pd    0.01046    0.01160   -0.00519
 38 Pd    0.00723    0.01001   -0.00624
 39 Pd   -0.00306    0.00605   -0.01370
 40 Pd    0.00829    0.00174    0.00961

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    26.511    26.511   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                    121.138   121.138   1.5% ||
Hamiltonian:                                18.659     0.089   0.0% |
 Atomic:                                     7.751     6.815   0.1% |
  XC Correction:                             0.936     0.936   0.0% |
 Calculate atomic Hamiltonians:              6.913     6.913   0.1% |
 Communicate:                                0.020     0.020   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.055     0.055   0.0% |
 XC 3D grid:                                 3.830     3.830   0.0% |
LCAO initialization:                        94.099     0.401   0.0% |
 LCAO eigensolver:                           6.762     0.002   0.0% |
  Calculate projections:                     0.037     0.037   0.0% |
  DenseAtomicCorrection:                     0.036     0.036   0.0% |
  Distribute overlap matrix:                 0.013     0.013   0.0% |
  Orbital Layouts:                           0.372     0.372   0.0% |
  Potential matrix:                          6.256     6.256   0.1% |
  Sum over cells:                            0.046     0.046   0.0% |
 LCAO to grid:                              85.301    85.301   1.1% |
 Set positions (LCAO WFS):                   1.635     0.443   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.819     0.819   0.0% |
  ST tci:                                    0.278     0.278   0.0% |
  mktci:                                     0.092     0.092   0.0% |
PWDescriptor:                                0.712     0.712   0.0% |
Redistribute:                                0.065     0.065   0.0% |
SCF-cycle:                                7744.439   652.561   8.1% |--|
 Davidson:                                6125.468  1074.520  13.4% |----|
  Apply H:                                 635.024   617.913   7.7% |--|
   HMM T:                                   17.111    17.111   0.2% |
  Subspace diag:                          1041.867     0.059   0.0% |
   calc_h_matrix:                          782.374   159.733   2.0% ||
    Apply H:                               622.641   604.715   7.5% |--|
     HMM T:                                 17.927    17.927   0.2% |
   diagonalize:                             18.073    18.073   0.2% |
   rotate_psi:                             241.361   241.361   3.0% ||
  calc. matrices:                         2159.277   954.083  11.9% |----|
   Apply H:                               1205.193  1172.545  14.6% |-----|
    HMM T:                                  32.649    32.649   0.4% |
  diagonalize:                             747.735   747.735   9.3% |---|
  rotate_psi:                              467.045   467.045   5.8% |-|
 Density:                                  579.078     0.011   0.0% |
  Atomic density matrices:                   2.236     2.236   0.0% |
  Mix:                                     222.873   222.873   2.8% ||
  Multipole moments:                         0.150     0.150   0.0% |
  Pseudo density:                          353.809   353.800   4.4% |-|
   Symmetrize density:                       0.009     0.009   0.0% |
 Hamiltonian:                              365.467     2.000   0.0% |
  Atomic:                                  110.136    90.546   1.1% |
   XC Correction:                           19.590    19.590   0.2% |
  Calculate atomic Hamiltonians:           170.655   170.655   2.1% ||
  Communicate:                               0.348     0.348   0.0% |
  Poisson:                                   1.216     1.216   0.0% |
  XC 3D grid:                               81.112    81.112   1.0% |
 Orthonormalize:                            21.864     0.004   0.0% |
  calc_s_matrix:                             3.324     3.324   0.0% |
  inverse-cholesky:                          0.353     0.353   0.0% |
  projections:                              12.263    12.263   0.2% |
  rotate_psi_s:                              5.921     5.921   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      38.708    38.708   0.5% |
-------------------------------------------------------------------
Total:                                              8044.333 100.0%

Memory usage: 1.01 GiB
Date: Mon Mar 27 13:28:52 2023
