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

User:   lacmarco@node492.cluster
Date:   Mon Mar 27 09:51:58 2023
Arch:   x86_64
Pid:    34017
Python: 3.10.4
gpaw:   /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/gpaw
_gpaw:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/
        _gpaw.cpython-310-x86_64-linux-gnu.so
ase:    /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/ase (version 3.22.1)
numpy:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/numpy (version 1.23.1)
scipy:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/scipy (version 1.9.0)
libxc:  5.2.3
units:  Angstrom and eV
cores: 16
OpenMP: True
OMP_NUM_THREADS: 1

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

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

Initialize ...

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

  Using partial waves for Pd as LCAO basis

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

  Using partial waves for Au as LCAO basis

Reference energy: -9041063.528220

Spin-paired calculation

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

Symmetries present (total): 1

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

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

Wave functions: Plane wave expansion
  Cutoff energy: 400.000 eV
  Number of coefficients (min, max): 35093, 35158
  Pulay-stress correction: 0.000000 eV/Ang^3 (de/decut=0.000000)
  Using FFTW library
  ScaLapack parameters: grid=1x1, blocksize=None
  Wavefunction extrapolation:
    Improved wavefunction reuse through dual PAW basis 

Occupation numbers: Fermi-Dirac: width=0.1000 eV
 

Eigensolver
   Davidson(niter=2) 

Densities:
  Coarse grid: 40*40*140 grid
  Fine grid: 80*80*280 grid
  Total Charge: 0.000000 

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

Hamiltonian:
  XC and Coulomb potentials evaluated on a 80*80*280 grid
  Using the RPBE Exchange-Correlation functional
  External potential:
    NoExternalPotential
 

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 181.59 MiB
  Calculator: 504.68 MiB
    Density: 54.04 MiB
      Arrays: 22.22 MiB
      Localized functions: 23.28 MiB
      Mixer: 8.54 MiB
    Hamiltonian: 15.09 MiB
      Arrays: 14.53 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.57 MiB
    Wavefunctions: 435.54 MiB
      Arrays psit_nG: 199.03 MiB
      Eigensolver: 222.73 MiB
      Projections: 2.09 MiB
      Projectors: 2.82 MiB
      PW-descriptor: 8.88 MiB

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

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

... initialized

Initializing position-dependent things.

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

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

Positions:
   0 Pd     2.988209    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993657    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.988209    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.993657    0.000000   12.005447    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.988209    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
   5 Au     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 Au     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 Au     4.993657    4.010895   16.016342    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.988209    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993657    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993657    4.010895   20.027237    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.999104    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982762    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.999104    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.982762    0.000000   12.005447    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.999104    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982762    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.999104    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.982762    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.999104    0.000000   18.021790    ( 0.0000,  0.0000,  0.0000)
  30 Au     0.982762    2.005447   18.021790    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.999104    4.010895   10.000000    ( 0.0000,  0.0000,  0.0000)
  32 Au     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 Au     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 09:54:30  -153.585215
iter:   2 09:55:27  -142.446443  -1.27  -1.20
iter:   3 09:56:22  -137.457465  -1.51  -1.27
iter:   4 09:57:17  -181.420112  -0.73  -1.31
iter:   5 09:58:11  -130.398296  -0.90  -1.25
iter:   6 09:59:07  -122.721898  -1.62  -1.72
iter:   7 10:00:01  -122.429291  -2.17  -1.75
iter:   8 10:00:55  -119.265889  -1.81  -1.83
iter:   9 10:01:52  -118.393626  -2.76  -1.96
iter:  10 10:02:46  -118.347150  -2.75  -2.04
iter:  11 10:03:41  -118.174055c -3.14  -2.13
iter:  12 10:04:35  -118.171195c -3.19  -2.21
iter:  13 10:05:30  -118.099869c -3.17  -2.28
iter:  14 10:06:26  -118.002133c -3.24  -2.36
iter:  15 10:07:19  -117.886671c -3.24  -2.55
iter:  16 10:08:16  -117.853308c -3.98  -2.78
iter:  17 10:09:12  -117.846272c -4.32  -2.98
iter:  18 10:10:05  -117.842574c -4.70  -3.04
iter:  19 10:11:00  -117.841484c -4.71  -3.06
iter:  20 10:11:59  -117.840942c -4.98  -3.14
iter:  21 10:12:55  -117.841423c -5.11  -3.34
iter:  22 10:13:51  -117.840856c -5.75  -3.56
iter:  23 10:14:48  -117.840516c -5.75  -3.67
iter:  24 10:15:46  -117.840910c -6.23  -3.78
iter:  25 10:16:42  -117.840347c -5.99  -3.75
iter:  26 10:17:39  -117.840520c -6.61  -3.79
iter:  27 10:18:36  -117.840551c -6.84  -3.96
iter:  28 10:19:34  -117.840590c -6.97  -4.05c
iter:  29 10:20:31  -117.840552c -6.77  -4.09c
iter:  30 10:21:29  -117.840475c -7.16  -4.14c
iter:  31 10:22:26  -117.840621c -7.27  -4.16c
iter:  32 10:23:25  -117.840476c -7.39  -4.13c
iter:  33 10:24:23  -117.840483c -7.10  -4.26c
iter:  34 10:25:22  -117.840479c -7.45c -4.38c

Converged after 34 iterations.

Dipole moment: (-4.612921, 0.000908, 0.048843) |e|*Ang

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

Kinetic:       -189.861417
Potential:      +18.074484
External:        +0.000000
XC:             +57.881738
Entropy (-ST):   -2.217171
Local:           -2.826699
--------------------------
Free energy:   -118.949064
Extrapolated:  -117.840479

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.35792    1.30482
  0   304     -0.33949    1.21906
  0   305     -0.32840    1.16568
  0   306     -0.29976    1.02404

  1   303     -0.34721    1.25549
  1   304     -0.32522    1.15019
  1   305     -0.29023    0.97637
  1   306     -0.25859    0.82014


Fermi level: -0.29495

No gap

Forces in eV/Ang:
  0 Pd    0.08964    0.08513    0.20179
  1 Pd   -0.00146   -0.17695    0.13019
  2 Pd   -0.11650   -0.18172   -0.03572
  3 Pd   -0.11550   -0.11461   -0.31701
  4 Pd    0.00271   -0.00040   -0.01230
  5 Au   -0.17611    0.01065   -0.18011
  6 Pd   -0.12383   -0.17548    0.03015
  7 Pd   -0.12110   -0.10779    0.46236
  8 Pd    0.07258   -0.09081   -0.20057
  9 Pd   -0.00240   -0.26162    0.09160
 10 Au    0.11286   -0.13271   -0.28817
 11 Pd   -0.00333    0.18744    0.14608
 12 Pd    0.28123    0.17430    0.08314
 13 Pd    0.00062    0.11801    0.00784
 14 Pd   -0.12853    0.01023   -0.11193
 15 Pd   -0.13924   -0.02419   -0.08633
 16 Pd   -0.02110    0.17636    0.15564
 17 Au    0.00372    0.18435    0.14868
 18 Pd   -0.17840    0.08406    0.10222
 19 Pd   -0.00299    0.23036    0.08611
 20 Au    0.00665    0.00923   -0.54105
 21 Pd   -0.09412    0.09110    0.17830
 22 Pd    0.00346   -0.16452    0.13201
 23 Pd    0.11250   -0.04849   -0.18233
 24 Pd    0.12351    0.27196   -0.18382
 25 Au    0.00126   -0.00147   -0.01275
 26 Pd    0.14083    0.15666    0.02852
 27 Pd    0.11982   -0.05458    0.16789
 28 Pd    0.11394   -0.03469    0.18544
 29 Pd   -0.07346   -0.09543   -0.16999
 30 Au   -0.00174   -0.01321    0.27532
 31 Au   -0.10774   -0.12945   -0.30268
 32 Au   -0.00320    0.25294   -0.38500
 33 Pd   -0.27237    0.04239   -0.06215
 34 Pd   -0.00079   -0.26068    0.19274
 35 Pd    0.13409    0.00858   -0.11512
 36 Au    0.17300   -0.18758    0.03774
 37 Pd    0.03379    0.05559    0.29289
 38 Pd   -0.00218    0.03379    0.18591
 39 Pd    0.17051    0.08035    0.12292
 40 Pd    0.00094   -0.00659   -0.24885

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.997173    0.008513   10.020179    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993511    1.987752   10.013019    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.976559    1.987276   12.001875    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.982106   -0.011461   11.973746    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.988480   -0.000040   14.009665    ( 0.0000,  0.0000,  0.0000)
   5 Au     4.976046    2.006512   13.992884    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.975826    1.987899   16.019357    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.981546   -0.010779   16.062579    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.995467   -0.009081   18.001733    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993417    1.979285   18.030949    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.999495    3.997623    9.971183    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.993324    6.035086   10.014608    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.016333    6.033772   12.013761    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.993719    4.022695   12.006231    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.975356    4.011918   13.999701    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.979732    6.013923   14.002262    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.986099    6.033978   16.031906    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.994028    4.029330   16.031211    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.970369    4.019301   18.032012    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993358    6.039378   18.030400    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.994322    4.011817   19.973132    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.989692    0.009110   10.017830    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.983108    1.988995   10.013201    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.010354    2.000598   11.987214    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.995113    0.027196   11.987066    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.999230   -0.000147   14.009620    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.996844    2.021113   14.013747    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.011086    1.999989   16.033131    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.994155   -0.003469   16.034886    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.991758   -0.009543   18.004790    ( 0.0000,  0.0000,  0.0000)
  30 Au     0.982588    2.004126   18.049322    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.988330    3.997950    9.969732    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.982442    6.041636    9.961500    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.971867    6.020581   11.999232    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.982682    3.984827   12.024721    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.012513    4.011753   13.999383    ( 0.0000,  0.0000,  0.0000)
  36 Au     1.000062    5.997584   14.014668    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.002483    6.021901   16.045631    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.982544    4.014274   16.034934    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.016155    4.018929   18.034082    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982856    6.015683   17.996904    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:26:49  -123.638331  -1.64
iter:   2 10:27:47  -161.523160  -1.23  -1.84
iter:   3 10:28:44  -121.943577  -1.76  -1.43
iter:   4 10:29:42  -118.440126  -2.24  -2.01
iter:   5 10:30:40  -118.163831  -3.06  -2.44
iter:   6 10:31:38  -118.151415c -3.06  -2.57
iter:   7 10:32:37  -118.047890c -3.71  -2.55
iter:   8 10:33:35  -118.015254c -4.18  -2.75
iter:   9 10:34:34  -118.007755c -3.92  -2.92
iter:  10 10:35:31  -118.004764c -4.42  -3.04
iter:  11 10:36:29  -118.003715c -5.09  -3.16
iter:  12 10:37:26  -118.001952c -4.60  -3.22
iter:  13 10:38:25  -118.019700c -4.91  -3.38
iter:  14 10:39:21  -118.002281c -4.89  -3.06
iter:  15 10:40:19  -118.001976c -5.35  -3.47
iter:  16 10:41:16  -118.001858c -5.46  -3.66
iter:  17 10:42:15  -118.001644c -5.83  -3.82
iter:  18 10:43:11  -118.001497c -5.92  -3.93
iter:  19 10:44:09  -118.001466c -6.28  -4.05c
iter:  20 10:45:06  -118.001309c -6.33  -4.16c
iter:  21 10:46:03  -118.001401c -6.70  -3.94
iter:  22 10:47:00  -118.001348c -7.06  -4.33c
iter:  23 10:47:59  -118.001384c -6.83  -4.44c
iter:  24 10:48:54  -118.001409c -7.19  -4.60c
iter:  25 10:49:54  -118.001408c -7.60c -4.72c

Converged after 25 iterations.

Dipole moment: (-4.030270, -0.009295, 0.053271) |e|*Ang

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

Kinetic:       -197.230148
Potential:      +24.764122
External:        +0.000000
XC:             +58.414708
Entropy (-ST):   -2.225686
Local:           -2.837247
--------------------------
Free energy:   -119.114251
Extrapolated:  -118.001408

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.36114    1.30506
  0   304     -0.33857    1.19950
  0   305     -0.33262    1.17079
  0   306     -0.30221    1.02043

  1   303     -0.34873    1.24776
  1   304     -0.32730    1.14487
  1   305     -0.29356    0.97717
  1   306     -0.26625    0.84199


Fermi level: -0.29812

No gap

Forces in eV/Ang:
  0 Pd    0.03212    0.03142   -0.00410
  1 Pd   -0.01364   -0.06268    0.06473
  2 Pd    0.01287    0.02186   -0.03998
  3 Pd    0.02013    0.04740    0.01809
  4 Pd   -0.00175   -0.01069    0.03517
  5 Au    0.02638   -0.00649    0.02795
  6 Pd    0.00165    0.02291    0.04390
  7 Pd    0.02369    0.02166    0.00931
  8 Pd   -0.02560   -0.02269    0.04054
  9 Pd   -0.01401   -0.10917    0.01739
 10 Au   -0.00806   -0.01246   -0.08881
 11 Pd   -0.01503    0.04276   -0.03444
 12 Pd   -0.07215   -0.02629   -0.09119
 13 Pd   -0.01176   -0.02483   -0.06924
 14 Pd    0.04530   -0.02454    0.04406
 15 Pd   -0.00408    0.02554    0.09512
 16 Pd    0.02437   -0.00184    0.01604
 17 Au   -0.01412   -0.03603    0.04780
 18 Pd   -0.12146    0.01921    0.02263
 19 Pd   -0.01433    0.11714    0.13196
 20 Au    0.00071   -0.00107   -0.33191
 21 Pd   -0.03672    0.03547    0.04520
 22 Pd    0.01734   -0.02509   -0.03411
 23 Pd   -0.03372    0.00169   -0.00377
 24 Pd   -0.01031   -0.07674    0.03490
 25 Au   -0.00096   -0.00878    0.04256
 26 Pd    0.00038   -0.01903    0.11259
 27 Pd   -0.01833    0.00243    0.01609
 28 Pd   -0.01755    0.02456   -0.01169
 29 Pd    0.01943   -0.02583   -0.00373
 30 Au    0.01280   -0.03871    0.24208
 31 Au    0.00871   -0.00768   -0.15455
 32 Au    0.01133    0.01723   -0.07271
 33 Pd    0.08429   -0.01717   -0.06232
 34 Pd    0.01248    0.06329   -0.19057
 35 Pd   -0.03529   -0.02262    0.04165
 36 Au   -0.03410    0.06935   -0.06136
 37 Pd    0.00601    0.02814   -0.01494
 38 Pd    0.01213   -0.04152    0.10032
 39 Pd    0.12419    0.01594    0.07196
 40 Pd    0.01487    0.01194   -0.04762

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.002379    0.013559   10.023367    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.991961    1.977557   10.022598    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.975892    1.986435   11.996766    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.982268   -0.008238   11.970041    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.988333   -0.001242   14.013370    ( 0.0000,  0.0000,  0.0000)
   5 Au     4.975812    2.005980   13.992752    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.973774    1.987289   16.024803    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.982004   -0.010307   16.071969    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.993919   -0.013255   18.002637    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.991809    1.962370   18.034546    ( 0.0000,  0.0000,  0.0000)
  10 Au     3.000634    3.993836    9.956062    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.991585    6.043246   10.013400    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.013355    6.033984   12.005079    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.992417    4.022054   11.998641    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.978093    4.009363   14.002599    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.976763    6.016339   14.011324    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.988439    6.036958   16.036509    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.992519    4.028636   16.039234    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.953585    4.022963   18.036385    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.991704    6.056619   18.046691    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.994522    4.011864   19.926299    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.983892    0.014717   10.026097    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.985107    1.983222   10.011777    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.008620    1.999911   11.983501    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.996193    0.023539   11.987643    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.999146   -0.001153   14.014142    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.999430    2.021817   14.026833    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.011202    1.999275   16.037959    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.994254   -0.001354   16.036929    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.992602   -0.014151   18.001304    ( 0.0000,  0.0000,  0.0000)
  30 Au     0.983986    1.999566   18.081326    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.987357    3.994754    9.947008    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.983649    6.048129    9.946428    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.976360    6.019429   11.991151    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.984062    3.987187   12.006923    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.010994    4.009382   14.001955    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.999378    6.001940   14.008498    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.003764    6.026047   16.049253    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.983859    4.010248   16.049493    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.033102    4.022160   18.044336    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.984533    6.016897   17.987092    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:51:21  -119.519845  -2.36
iter:   2 10:52:18  -131.577184  -1.83  -2.13
iter:   3 10:53:15  -118.823105  -2.26  -1.71
iter:   4 10:54:12  -118.111430  -2.94  -2.34
iter:   5 10:55:10  -118.066022  -3.67  -2.80
iter:   6 10:56:08  -118.059528c -4.44  -2.96
iter:   7 10:57:07  -118.047823c -4.67  -3.05
iter:   8 10:58:06  -118.046087c -4.69  -3.27
iter:   9 10:59:05  -118.044903c -4.98  -3.40
iter:  10 11:00:02  -118.044456c -5.63  -3.55
iter:  11 11:01:02  -118.044609c -5.63  -3.63
iter:  12 11:02:00  -118.044470c -5.64  -3.75
iter:  13 11:02:59  -118.044653c -6.12  -3.83
iter:  14 11:03:57  -118.044419c -6.47  -3.99
iter:  15 11:04:57  -118.044327c -6.09  -3.96
iter:  16 11:05:55  -118.044300c -6.58  -4.18c
iter:  17 11:06:54  -118.044205c -6.94  -4.22c
iter:  18 11:07:53  -118.044223c -6.90  -4.28c
iter:  19 11:08:52  -118.044122c -6.93  -4.35c
iter:  20 11:09:50  -118.044184c -7.64c -4.50c

Converged after 20 iterations.

Dipole moment: (-3.779217, -0.090823, 0.052448) |e|*Ang

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

Kinetic:       -199.001867
Potential:      +26.167520
External:        +0.000000
XC:             +58.737771
Entropy (-ST):   -2.222854
Local:           -2.836181
--------------------------
Free energy:   -119.155611
Extrapolated:  -118.044184

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.36469    1.30327
  0   304     -0.34634    1.21779
  0   305     -0.33753    1.17545
  0   306     -0.30801    1.02969

  1   303     -0.35336    1.25098
  1   304     -0.33104    1.14387
  1   305     -0.29728    0.97607
  1   306     -0.27130    0.84736


Fermi level: -0.30207

No gap

Forces in eV/Ang:
  0 Pd   -0.00682    0.00463   -0.04015
  1 Pd   -0.00375    0.01018   -0.00467
  2 Pd   -0.01529    0.04927    0.02931
  3 Pd    0.01803   -0.01454    0.12441
  4 Pd    0.01243    0.00294    0.00879
  5 Au    0.02265   -0.00337    0.04160
  6 Pd    0.01130    0.02797    0.06578
  7 Pd    0.01581    0.02639   -0.06306
  8 Pd   -0.04778   -0.00173    0.06639
  9 Pd   -0.00783   -0.05758   -0.02454
 10 Au    0.00117    0.00389   -0.06270
 11 Pd   -0.00214   -0.00449   -0.03542
 12 Pd   -0.04121   -0.05018   -0.04233
 13 Pd    0.00849    0.00918   -0.04553
 14 Pd   -0.00280    0.01297    0.01932
 15 Pd    0.01758   -0.00038    0.01486
 16 Pd    0.00959   -0.03678   -0.01911
 17 Au    0.01252   -0.02031    0.11241
 18 Pd   -0.06708    0.00729   -0.02040
 19 Pd   -0.00249    0.06535    0.02219
 20 Au   -0.00730   -0.01546   -0.13630
 21 Pd    0.00754    0.00486   -0.00681
 22 Pd    0.00062   -0.01616   -0.03740
 23 Pd    0.01840    0.04718    0.04633
 24 Pd   -0.01960   -0.03660    0.04005
 25 Au   -0.01678    0.00543   -0.00037
 26 Pd   -0.01922    0.00973   -0.00069
 27 Pd   -0.00593    0.02682    0.04670
 28 Pd   -0.01130    0.03894   -0.00326
 29 Pd    0.04655   -0.00124    0.04155
 30 Au    0.00011   -0.06374    0.14280
 31 Au   -0.00240    0.00109   -0.08641
 32 Au    0.00238    0.00734   -0.05433
 33 Pd    0.04021   -0.04462   -0.02513
 34 Pd   -0.00590    0.04226   -0.08640
 35 Pd   -0.00171    0.00719    0.02173
 36 Au   -0.01643   -0.03263   -0.00223
 37 Pd   -0.01783   -0.03845   -0.03433
 38 Pd   -0.00381   -0.01800   -0.01216
 39 Pd    0.07779    0.00756   -0.01556
 40 Pd    0.00886    0.03953    0.01318

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.004568    0.017462   10.020701    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.990685    1.972744   10.027472    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.971761    1.991799   11.998869    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.983843   -0.010577   11.984614    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.990297   -0.001284   14.016204    ( 0.0000,  0.0000,  0.0000)
   5 Au     4.977232    2.005341   13.997206    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.973230    1.989411   16.038021    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.983282   -0.007169   16.071384    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.986473   -0.016390   18.011260    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.989843    1.942829   18.033236    ( 0.0000,  0.0000,  0.0000)
  10 Au     3.002658    3.991263    9.936143    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.990464    6.048234   10.008960    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.008857    6.028119   11.995608    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.993233    4.024668   11.988217    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.977264    4.010480   14.005584    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.976653    6.017013   14.016514    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.990716    6.034439   16.037263    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.993930    4.027295   16.062440    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.933573    4.026693   18.036196    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.990567    6.077168   18.058190    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993516    4.009516   19.878100    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.981512    0.018967   10.030649    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.986095    1.976211   10.006759    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.012182    2.006603   11.987167    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.994989    0.019381   11.992105    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.996435   -0.000728   14.015847    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.999134    2.025553   14.032615    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.011737    2.002617   16.049506    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.993849    0.005371   16.039496    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.999541   -0.017448   18.004449    ( 0.0000,  0.0000,  0.0000)
  30 Au     0.984576    1.987256   18.121093    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.985268    3.992022    9.919890    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.984503    6.055092    9.926710    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.981447    6.012296   11.982949    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.983691    3.991837   11.987833    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.011684    4.009632   14.005149    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.998528    5.996308   14.005976    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.001854    6.022308   16.048796    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.983780    4.006060   16.055947    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.054803    4.025705   18.047665    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.986676    6.023670   17.982060    ( 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 11:11:19  -119.329038  -2.38
iter:   2 11:12:18  -133.473687  -1.82  -2.15
iter:   3 11:13:15  -119.011260  -2.29  -1.67
iter:   4 11:14:13  -118.116519  -2.92  -2.32
iter:   5 11:15:08  -118.094194  -3.74  -2.92
iter:   6 11:16:06  -118.091684c -4.23  -2.98
iter:   7 11:17:11  -118.080230c -4.73  -3.05
iter:   8 11:18:11  -118.076739c -4.62  -3.20
iter:   9 11:19:12  -118.075400c -5.14  -3.39
iter:  10 11:20:12  -118.074845c -5.59  -3.53
iter:  11 11:21:12  -118.074850c -5.34  -3.65
iter:  12 11:22:12  -118.074793c -5.77  -3.81
iter:  13 11:23:12  -118.075989c -5.79  -3.69
iter:  14 11:24:11  -118.074480c -6.17  -3.75
iter:  15 11:25:12  -118.074446c -6.29  -4.00c
iter:  16 11:26:11  -118.074406c -6.50  -4.25c
iter:  17 11:27:14  -118.074315c -6.78  -4.31c
iter:  18 11:28:14  -118.074308c -7.01  -4.43c
iter:  19 11:29:15  -118.074257c -7.24  -4.56c
iter:  20 11:30:15  -118.074366c -7.60c -4.72c

Converged after 20 iterations.

Dipole moment: (-3.487082, -0.344093, 0.048817) |e|*Ang

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

Kinetic:       -202.039102
Potential:      +28.678164
External:        +0.000000
XC:             +59.224492
Entropy (-ST):   -2.216671
Local:           -2.829585
--------------------------
Free energy:   -119.182701
Extrapolated:  -118.074366

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37094    1.30269
  0   304     -0.35759    1.24087
  0   305     -0.34528    1.18211
  0   306     -0.31798    1.04763

  1   303     -0.36048    1.25446
  1   304     -0.33712    1.14237
  1   305     -0.30414    0.97847
  1   306     -0.27820    0.84992


Fermi level: -0.30845

No gap

Forces in eV/Ang:
  0 Pd    0.00069   -0.00102   -0.00649
  1 Pd    0.00193    0.00839   -0.00274
  2 Pd   -0.00096    0.03118    0.01799
  3 Pd   -0.00842   -0.01718    0.03946
  4 Pd   -0.02451   -0.00017    0.00618
  5 Au   -0.00167    0.07572    0.04334
  6 Pd   -0.01833    0.01267    0.03832
  7 Pd   -0.00081   -0.00502   -0.03753
  8 Pd   -0.02949   -0.00470    0.04992
  9 Pd   -0.00024   -0.04601   -0.00913
 10 Au   -0.00516    0.00325   -0.03200
 11 Pd    0.00331    0.00638   -0.02411
 12 Pd   -0.01890   -0.02435   -0.02320
 13 Pd    0.00585   -0.00341   -0.01095
 14 Pd    0.03146   -0.00655    0.01518
 15 Pd    0.01103   -0.05497   -0.00379
 16 Pd    0.00119    0.00004   -0.01716
 17 Au    0.00312   -0.00749    0.04388
 18 Pd   -0.05607   -0.00286   -0.01113
 19 Pd    0.00266    0.05445   -0.03796
 20 Au   -0.00771   -0.02891    0.02931
 21 Pd    0.00274   -0.00220   -0.00256
 22 Pd   -0.00433   -0.00513   -0.02657
 23 Pd    0.01112    0.04299    0.01398
 24 Pd   -0.00292   -0.02096    0.01550
 25 Au    0.03729   -0.00616    0.00675
 26 Pd   -0.01174    0.00696   -0.02149
 27 Pd    0.02933    0.00542    0.03740
 28 Pd   -0.00670    0.02143   -0.02453
 29 Pd    0.03404   -0.00304    0.04430
 30 Au   -0.00413   -0.03189    0.04934
 31 Au    0.00368   -0.00097   -0.02679
 32 Au   -0.00287   -0.00078   -0.02806
 33 Pd    0.01720   -0.02706   -0.02052
 34 Pd   -0.00571    0.02292   -0.05197
 35 Pd   -0.02752   -0.00202    0.01516
 36 Au   -0.00925    0.00276    0.02250
 37 Pd   -0.00660   -0.00195   -0.02249
 38 Pd   -0.00256   -0.03323   -0.01619
 39 Pd    0.06597    0.00005   -0.01551
 40 Pd   -0.00022    0.04105    0.03482

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.006859    0.020125   10.020006    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.990188    1.969562   10.031261    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.969369    1.997941   12.001449    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.982725   -0.014070   11.994675    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.987237   -0.001549   14.018931    ( 0.0000,  0.0000,  0.0000)
   5 Au     4.976793    2.016865   14.005020    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.969279    1.991428   16.050417    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.983266   -0.007041   16.068844    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.978890   -0.019505   18.021877    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.988715    1.923683   18.032305    ( 0.0000,  0.0000,  0.0000)
  10 Au     3.003322    3.989519    9.919257    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.990203    6.053465   10.003777    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.004684    6.022700   11.986939    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.994240    4.025538   11.980979    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.981833    4.009479   14.009232    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.977235    6.009035   14.019306    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.992155    6.034684   16.036344    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.994722    4.026198   16.080650    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.913023    4.028744   18.035585    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.990214    6.097971   18.060174    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.991971    4.004102   19.852682    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.979554    0.021711   10.034291    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.986191    1.970891   10.000865    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.015481    2.015684   11.989415    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.994741    0.014862   11.995685    ( 0.0000,  0.0000,  0.0000)
  25 Au     7.001167   -0.001709   14.018358    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.998214    2.028893   14.034069    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.017036    2.004454   16.061528    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.993113    0.011661   16.037804    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.007501   -0.020464   18.011317    ( 0.0000,  0.0000,  0.0000)
  30 Au     0.984414    1.976457   18.151664    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.984398    3.989676    9.899492    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.984604    6.059954    9.910142    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.985901    6.005169   11.974737    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.982899    3.996669   11.969594    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.007918    4.009019   14.008806    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.997309    5.994526   14.007510    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.000426    6.021482   16.046929    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.983579    3.998591   16.059396    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.077575    4.028043   18.048933    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.987809    6.032993   17.982703    ( 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 11:31:46  -118.398828  -2.49
iter:   2 11:32:45  -119.537863  -2.72  -2.45
iter:   3 11:33:45  -118.632729  -2.90  -2.15
iter:   4 11:34:45  -118.103781  -3.76  -2.35
iter:   5 11:35:46  -118.098548  -4.26  -3.07
iter:   6 11:36:46  -118.089743c -4.44  -3.10
iter:   7 11:37:47  -118.088116c -4.71  -3.32
iter:   8 11:38:48  -118.087204c -5.27  -3.44
iter:   9 11:39:49  -118.088299c -5.30  -3.58
iter:  10 11:40:49  -118.088058c -5.48  -3.64
iter:  11 11:41:50  -118.086827c -5.69  -3.45
iter:  12 11:42:49  -118.086655c -6.03  -3.88
iter:  13 11:43:51  -118.086508c -6.41  -4.02c
iter:  14 11:44:53  -118.086486c -6.19  -4.05c
iter:  15 11:45:53  -118.086413c -6.74  -4.36c
iter:  16 11:46:54  -118.086671c -6.74  -4.46c
iter:  17 11:47:54  -118.086420c -7.32  -4.22c
iter:  18 11:48:55  -118.086449c -7.40c -4.60c

Converged after 18 iterations.

Dipole moment: (-3.111233, -0.176364, 0.045781) |e|*Ang

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

Kinetic:       -204.890527
Potential:      +31.051913
External:        +0.000000
XC:             +59.695801
Entropy (-ST):   -2.210345
Local:           -2.838463
--------------------------
Free energy:   -119.191621
Extrapolated:  -118.086449

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37772    1.30694
  0   304     -0.36648    1.25517
  0   305     -0.35275    1.18995
  0   306     -0.32670    1.06198

  1   303     -0.36743    1.25962
  1   304     -0.34243    1.13976
  1   305     -0.31050    0.98105
  1   306     -0.28496    0.85440


Fermi level: -0.31429

No gap

Forces in eV/Ang:
  0 Pd   -0.00479   -0.00243    0.01439
  1 Pd    0.00433    0.01314   -0.00020
  2 Pd    0.00425    0.00649    0.00286
  3 Pd   -0.00098    0.00500    0.02894
  4 Pd    0.00706    0.01621   -0.01365
  5 Au    0.01198   -0.01087    0.02030
  6 Pd   -0.01612   -0.01258    0.00543
  7 Pd   -0.00282    0.00434   -0.05027
  8 Pd   -0.01489   -0.00032    0.01363
  9 Pd    0.00668    0.00388    0.00941
 10 Au    0.00131    0.00155   -0.00307
 11 Pd    0.00599   -0.00473   -0.00818
 12 Pd   -0.00172   -0.01287    0.00847
 13 Pd   -0.00149    0.00366   -0.01591
 14 Pd   -0.01930    0.01675   -0.00223
 15 Pd    0.00988   -0.02626   -0.02876
 16 Pd   -0.01570    0.00590   -0.00569
 17 Au    0.00203    0.00428    0.04737
 18 Pd    0.01177    0.00033    0.01483
 19 Pd    0.00638   -0.03733   -0.02946
 20 Au   -0.00157   -0.01483    0.04230
 21 Pd    0.00476   -0.00404    0.00757
 22 Pd   -0.00295   -0.00132   -0.00559
 23 Pd   -0.00475    0.00095    0.00426
 24 Pd    0.00410    0.00454   -0.01851
 25 Au   -0.02437    0.02487   -0.02285
 26 Pd   -0.00141    0.02028   -0.04592
 27 Pd    0.01361   -0.01711    0.00658
 28 Pd    0.00725    0.00293   -0.00062
 29 Pd    0.01717   -0.00182    0.02333
 30 Au   -0.00076   -0.01748   -0.00601
 31 Au   -0.00242    0.00101    0.00810
 32 Au   -0.00397    0.00102   -0.00819
 33 Pd   -0.00537   -0.00247    0.00196
 34 Pd    0.00435    0.01331    0.01712
 35 Pd    0.00948    0.01097    0.00184
 36 Au    0.01041   -0.04028    0.00820
 37 Pd    0.00802    0.00377    0.00093
 38 Pd    0.00081    0.00782   -0.04223
 39 Pd   -0.01250    0.00488    0.00964
 40 Pd   -0.00608    0.02668    0.01890

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.006588    0.019978   10.021413    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.990576    1.970617   10.031538    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.970017    1.998931   12.001571    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.982582   -0.013383   11.997504    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.987467   -0.000076   14.017866    ( 0.0000,  0.0000,  0.0000)
   5 Au     4.978039    2.016887   14.007599    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.967479    1.990462   16.051294    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.983096   -0.006674   16.063652    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.977154   -0.019669   18.023832    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.989325    1.923294   18.033289    ( 0.0000,  0.0000,  0.0000)
  10 Au     3.003246    3.989699    9.918573    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.990753    6.053267   10.002582    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.003912    6.021179   11.987106    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.994054    4.025556   11.979178    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.980801    4.010756   14.009440    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.978291    6.005889   14.017008    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.990758    6.035375   16.035674    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.994792    4.026306   16.085276    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.913185    4.028747   18.037058    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.990799    6.095279   18.057379    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.991758    4.002351   19.856447    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.979842    0.021412   10.035184    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.985942    1.970753    9.999908    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.014789    2.016120   11.989809    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.995083    0.014610   11.994186    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.999465    0.000507   14.016522    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.997951    2.030665   14.030002    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.018621    2.002757   16.062376    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.993612    0.012160   16.037226    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.009493   -0.020767   18.014007    ( 0.0000,  0.0000,  0.0000)
  30 Au     0.984359    1.974521   18.152111    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.984355    3.989788    9.899733    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.984235    6.059933    9.909124    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.986040    6.004711   11.974467    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.983349    3.998540   11.969810    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.008150    4.009856   14.009377    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.997974    5.991444   14.008247    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.001236    6.022206   16.046648    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.983720    3.998715   16.055663    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.077435    4.028506   18.050092    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.987250    6.035960   17.984808    ( 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 11:50:24  -118.124573  -3.85
iter:   2 11:51:26  -119.260221  -3.21  -2.87
iter:   3 11:52:26  -118.091117  -3.58  -2.18
iter:   4 11:53:27  -118.088575  -4.65  -3.53
iter:   5 11:54:28  -118.088257c -5.55  -3.76
iter:   6 11:55:28  -118.088011c -5.76  -3.81
iter:   7 11:56:30  -118.087936c -6.13  -4.05c
iter:   8 11:57:30  -118.088083c -6.49  -4.15c
iter:   9 11:58:30  -118.088002c -6.77  -4.33c
iter:  10 11:59:31  -118.088102c -7.02  -4.40c
iter:  11 12:00:31  -118.088049c -7.32  -4.46c
iter:  12 12:01:31  -118.087982c -7.36  -4.60c
iter:  13 12:02:30  -118.087984c -7.58c -4.82c

Converged after 13 iterations.

Dipole moment: (-3.085849, -0.365854, 0.045955) |e|*Ang

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

Kinetic:       -205.273290
Potential:      +31.377680
External:        +0.000000
XC:             +59.746624
Entropy (-ST):   -2.210491
Local:           -2.833752
--------------------------
Free energy:   -119.193229
Extrapolated:  -118.087984

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37771    1.30809
  0   304     -0.36688    1.25830
  0   305     -0.35297    1.19230
  0   306     -0.32666    1.06311

  1   303     -0.36730    1.26025
  1   304     -0.34270    1.14243
  1   305     -0.31041    0.98194
  1   306     -0.28460    0.85394


Fermi level: -0.31402

No gap

Forces in eV/Ang:
  0 Pd    0.00219   -0.00349    0.01487
  1 Pd    0.00241    0.00309    0.00090
  2 Pd    0.00510    0.00723   -0.00111
  3 Pd   -0.00699   -0.00294   -0.00126
  4 Pd   -0.00409    0.00150   -0.01355
  5 Au   -0.00644    0.02037    0.00907
  6 Pd   -0.01116   -0.00172    0.00480
  7 Pd   -0.00529   -0.00767    0.00186
  8 Pd    0.00457    0.00078    0.00215
  9 Pd    0.00430   -0.01346    0.00313
 10 Au   -0.00239    0.00120   -0.00262
 11 Pd    0.00251    0.00248   -0.00023
 12 Pd    0.00536   -0.00044    0.00146
 13 Pd   -0.00111   -0.00211   -0.00275
 14 Pd    0.00922   -0.00455    0.00144
 15 Pd    0.00184   -0.01510   -0.00966
 16 Pd   -0.00341    0.00686    0.00087
 17 Au   -0.00070   -0.00458    0.01263
 18 Pd   -0.01278   -0.00481    0.00795
 19 Pd    0.00239   -0.01051   -0.02063
 20 Au   -0.00024   -0.00910    0.01647
 21 Pd   -0.00180   -0.00262    0.00885
 22 Pd   -0.00248    0.00489    0.00089
 23 Pd    0.00065    0.00810   -0.00693
 24 Pd    0.00152   -0.00025   -0.00492
 25 Au    0.01082   -0.00498   -0.01443
 26 Pd   -0.00085    0.00489   -0.02429
 27 Pd    0.01560   -0.00309    0.01126
 28 Pd   -0.00082    0.00210   -0.01156
 29 Pd   -0.00142    0.00059    0.01023
 30 Au   -0.00111    0.00519   -0.00441
 31 Au    0.00292    0.00029    0.00682
 32 Au   -0.00235   -0.00090   -0.00675
 33 Pd   -0.00301    0.00222    0.00142
 34 Pd   -0.00126   -0.00015   -0.00062
 35 Pd   -0.00405   -0.00031    0.00077
 36 Au   -0.00449    0.01094   -0.00502
 37 Pd    0.00611    0.00905   -0.00074
 38 Pd   -0.00146   -0.00300    0.01213
 39 Pd    0.01115   -0.00418    0.00420
 40 Pd   -0.00268    0.00270    0.01002

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    21.558    21.558   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                    107.895   107.895   1.4% ||
Hamiltonian:                                15.439     0.082   0.0% |
 Atomic:                                     2.646     1.451   0.0% |
  XC Correction:                             1.195     1.195   0.0% |
 Calculate atomic Hamiltonians:              8.728     8.728   0.1% |
 Communicate:                                0.001     0.001   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.074     0.074   0.0% |
 XC 3D grid:                                 3.908     3.908   0.0% |
LCAO initialization:                        78.443     0.414   0.0% |
 LCAO eigensolver:                           6.946     0.001   0.0% |
  Calculate projections:                     0.052     0.052   0.0% |
  DenseAtomicCorrection:                     0.051     0.051   0.0% |
  Distribute overlap matrix:                 0.005     0.005   0.0% |
  Orbital Layouts:                           0.314     0.314   0.0% |
  Potential matrix:                          6.492     6.492   0.1% |
  Sum over cells:                            0.030     0.030   0.0% |
 LCAO to grid:                              69.382    69.382   0.9% |
 Set positions (LCAO WFS):                   1.702     0.349   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.917     0.917   0.0% |
  ST tci:                                    0.335     0.335   0.0% |
  mktci:                                     0.098     0.098   0.0% |
PWDescriptor:                                0.617     0.617   0.0% |
Redistribute:                                0.042     0.042   0.0% |
SCF-cycle:                                7582.315   100.241   1.3% ||
 Davidson:                                6636.667  1380.587  17.6% |------|
  Apply H:                                 554.703   543.214   6.9% |--|
   HMM T:                                   11.489    11.489   0.1% |
  Subspace diag:                          1086.055     0.037   0.0% |
   calc_h_matrix:                          753.153   205.955   2.6% ||
    Apply H:                               547.198   534.903   6.8% |--|
     HMM T:                                 12.295    12.295   0.2% |
   diagonalize:                             19.372    19.372   0.2% |
   rotate_psi:                             313.492   313.492   4.0% |-|
  calc. matrices:                         2397.882  1311.544  16.7% |------|
   Apply H:                               1086.338  1062.912  13.5% |----|
    HMM T:                                  23.426    23.426   0.3% |
  diagonalize:                             587.044   587.044   7.5% |--|
  rotate_psi:                              630.396   630.396   8.0% |--|
 Density:                                  502.707     0.008   0.0% |
  Atomic density matrices:                   1.657     1.657   0.0% |
  Mix:                                     192.934   192.934   2.5% ||
  Multipole moments:                         0.143     0.143   0.0% |
  Pseudo density:                          307.964   307.958   3.9% |-|
   Symmetrize density:                       0.006     0.006   0.0% |
 Hamiltonian:                              315.308     1.672   0.0% |
  Atomic:                                   65.220    43.173   0.6% |
   XC Correction:                           22.048    22.048   0.3% |
  Calculate atomic Hamiltonians:           167.702   167.702   2.1% ||
  Communicate:                               0.271     0.271   0.0% |
  Poisson:                                   1.303     1.303   0.0% |
  XC 3D grid:                               79.140    79.140   1.0% |
 Orthonormalize:                            27.391     0.003   0.0% |
  calc_s_matrix:                             4.774     4.774   0.1% |
  inverse-cholesky:                          0.386     0.386   0.0% |
  projections:                              14.773    14.773   0.2% |
  rotate_psi_s:                              7.455     7.455   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      43.181    43.181   0.6% |
-------------------------------------------------------------------
Total:                                              7849.494 100.0%

Memory usage: 1.04 GiB
Date: Mon Mar 27 12:02:47 2023
