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

User:   lacmarco@node065.cluster
Date:   Mon Mar 27 10:48:06 2023
Arch:   x86_64
Pid:    7878
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: 183.88 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   |  
 |    |                   |  
 |   Pd     Pd Pd     Pd  |  
 |    PdPd      AuPd      |  
 |    |Pd Pd     Au Au    |  
 | Pd |    AuPd      Pd   |  
 |   Au     Pd Pd     Au  |  
 |    |                   |  
 |    PdPd      AuPd      |  
 |    |Pd Pd     Pd Pd    |  
 | Pd |    PdPd      Pd   |  
 |   Au        Pd         |  
 |    |                   |  
 |    | Pd        Pd      |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    .-------------------.  
 |   /                   /   
 |  /                   /    
 | /                   /     
 |/                   /      
 *-------------------*       

Positions:
   0 Pd     2.988209    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993657    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.988209    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.993657    0.000000   12.005447    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.988209    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.993657    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.988209    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.993657    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.988209    0.000000   18.021790    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993657    2.005447   18.021790    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.988209    4.010895   10.000000    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.993657    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.988209    6.016342   12.005447    ( 0.0000,  0.0000,  0.0000)
  13 Au     4.993657    4.010895   12.005447    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.988209    4.010895   14.010895    ( 0.0000,  0.0000,  0.0000)
  15 Au     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 Au     0.982762    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.999104    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.982762    0.000000   12.005447    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.999104    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.982762    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.999104    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.982762    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.999104    0.000000   18.021790    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.982762    2.005447   18.021790    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.999104    4.010895   10.000000    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.982762    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.999104    6.016342   12.005447    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.982762    4.010895   12.005447    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.999104    4.010895   14.010895    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982762    6.016342   14.010895    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.999104    6.016342   16.016342    ( 0.0000,  0.0000,  0.0000)
  38 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 10:50:09  -150.975252
iter:   2 10:50:52  -140.659324  -1.32  -1.21
iter:   3 10:51:34  -140.285946  -1.41  -1.28
iter:   4 10:52:17  -172.544287  -0.83  -1.30
iter:   5 10:53:01  -137.875952  -0.69  -1.26
iter:   6 10:53:44  -122.691731  -1.69  -1.69
iter:   7 10:54:28  -118.592336  -1.86  -1.80
iter:   8 10:55:10  -117.942404  -2.35  -1.85
iter:   9 10:55:53  -121.109966  -2.16  -1.95
iter:  10 10:56:36  -117.450498  -2.55  -1.90
iter:  11 10:57:19  -117.379561  -3.12  -2.18
iter:  12 10:58:04  -117.037622  -2.72  -2.20
iter:  13 10:58:46  -116.938775  -3.05  -2.33
iter:  14 10:59:28  -116.902152c -3.49  -2.39
iter:  15 11:00:11  -116.899204c -3.21  -2.47
iter:  16 11:00:54  -116.850462c -3.63  -2.60
iter:  17 11:01:39  -116.838234c -4.05  -2.79
iter:  18 11:02:21  -116.834092c -4.49  -2.94
iter:  19 11:03:04  -116.831682c -4.54  -3.00
iter:  20 11:03:46  -116.829755c -4.84  -3.18
iter:  21 11:04:29  -116.829260c -5.18  -3.30
iter:  22 11:05:13  -116.830739c -5.25  -3.46
iter:  23 11:05:55  -116.828705c -5.58  -3.37
iter:  24 11:06:38  -116.828078c -5.43  -3.62
iter:  25 11:07:21  -116.827875c -6.14  -3.84
iter:  26 11:08:02  -116.827933c -6.36  -3.90
iter:  27 11:08:50  -116.827872c -6.25  -4.01c
iter:  28 11:09:39  -116.827953c -6.62  -4.14c
iter:  29 11:10:27  -116.827962c -6.82  -4.29c
iter:  30 11:11:15  -116.827955c -7.14  -4.14c
iter:  31 11:12:03  -116.827981c -7.27  -4.59c
iter:  32 11:12:52  -116.827993c -7.90c -4.75c

Converged after 32 iterations.

Dipole moment: (-3.882407, 0.003807, 0.031181) |e|*Ang

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

Kinetic:       -178.149397
Potential:      +10.222419
External:        +0.000000
XC:             +55.054826
Entropy (-ST):   -2.155902
Local:           -2.877889
--------------------------
Free energy:   -117.905944
Extrapolated:  -116.827993

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34268    1.41128
  0   304     -0.32077    1.31638
  0   305     -0.27705    1.10856
  0   306     -0.25134    0.98048

  1   303     -0.30657    1.25114
  1   304     -0.28778    1.16123
  1   305     -0.27635    1.10515
  1   306     -0.25875    1.01754


Fermi level: -0.25525

No gap

Forces in eV/Ang:
  0 Pd    0.10701   -0.10121    0.17091
  1 Pd    0.00544   -0.14129    0.08844
  2 Pd    0.14414   -0.22501   -0.21514
  3 Pd   -0.12285    0.23487   -0.20811
  4 Pd    0.00189   -0.00022    0.01400
  5 Pd    0.00896   -0.38828   -0.13693
  6 Pd   -0.04635   -0.28500    0.30543
  7 Pd   -0.12745   -0.02107    0.33399
  8 Pd   -0.02013    0.00776   -0.23173
  9 Pd   -0.09627   -0.23423    0.23518
 10 Pd   -0.04313    0.09044    0.03058
 11 Pd   -0.12324    0.13868   -0.04955
 12 Pd   -0.23806    0.24573   -0.31673
 13 Au   -0.00769   -0.33614   -0.54698
 14 Au   -0.35061   -0.00665    0.00224
 15 Au    0.00353    0.53058    0.16176
 16 Pd   -0.26299    0.28235    0.31306
 17 Au    0.00193    0.00763    0.38503
 18 Pd   -0.27389   -0.00885    0.11138
 19 Pd    0.01049    0.27066    0.09992
 20 Au    0.00717   -0.01418   -0.54148
 21 Pd   -0.09940    0.02883    0.06691
 22 Au   -0.00103    0.01393   -0.34407
 23 Pd   -0.16108   -0.10891   -0.10846
 24 Pd    0.11594   -0.15914   -0.08531
 25 Pd    0.00428   -0.00421    0.01846
 26 Au   -0.00426   -0.17532   -0.15802
 27 Au    0.03085   -0.19009    0.27306
 28 Pd    0.11450   -0.24453    0.17022
 29 Pd    0.02066   -0.12507   -0.12427
 30 Pd    0.13007   -0.01179   -0.07940
 31 Pd    0.04726   -0.03944   -0.05801
 32 Pd    0.11852   -0.00930    0.07547
 33 Au    0.32646    0.16569   -0.30018
 34 Pd    0.00531    0.15545   -0.23350
 35 Pd    0.25363   -0.00321    0.00111
 36 Pd   -0.00759    0.13265    0.16677
 37 Pd    0.27645    0.16372    0.21879
 38 Pd    0.01889    0.24433    0.47034
 39 Pd    0.24787    0.10623    0.22717
 40 Pd   -0.00377    0.01353   -0.22059

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.998910   -0.010121   10.017091    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.994201    1.991318   10.008844    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.002623    1.982946   11.983933    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.981372    0.023487   11.984637    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.988398   -0.000022   14.012294    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.994552    1.966619   13.997202    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.983575    1.976948   16.046885    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.980911   -0.002107   16.049741    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.986196    0.000776   17.998616    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.984030    1.982025   18.045308    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.983896    4.019939   10.003058    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.981332    6.030210    9.995045    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.964403    6.040915   11.973774    ( 0.0000,  0.0000,  0.0000)
  13 Au     4.992888    3.977280   11.950749    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.953148    4.010230   14.011119    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.994009    6.069400   14.027070    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.961911    6.044578   16.047648    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.993850    4.011657   16.054845    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.960820    4.010010   18.032927    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.994706    6.043409   18.031781    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.994374    4.009476   19.973089    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.989164    0.002883   10.006691    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.982659    2.006840    9.965593    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.982996    1.994556   11.994601    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.994356   -0.015914   11.996916    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.999532   -0.000421   14.012740    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.982336    1.987915   13.995092    ( 0.0000,  0.0000,  0.0000)
  27 Au     7.002189    1.986438   16.043648    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.994211   -0.024453   16.033364    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.001169   -0.012507   18.009363    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.995769    2.004268   18.013849    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.003830    4.006951    9.994199    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.994614    6.015412   10.007547    ( 0.0000,  0.0000,  0.0000)
  33 Au     7.031750    6.032911   11.975429    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.983292    4.026440   11.982097    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.024467    4.010574   14.011006    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982002    6.029608   14.027572    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.026749    6.032714   16.038221    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.984651    4.035328   16.063376    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.023891    4.021518   18.044506    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982385    6.017695   17.999731    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 11:14:05  -127.215296  -1.28
iter:   2 11:14:52  -163.774806  -1.13  -1.74
iter:   3 11:15:38  -121.082506  -1.55  -1.39
iter:   4 11:16:32  -118.023280  -2.19  -1.98
iter:   5 11:17:30  -117.624661  -2.76  -2.25
iter:   6 11:18:22  -117.328835  -3.30  -2.29
iter:   7 11:19:14  -117.114688  -2.88  -2.48
iter:   8 11:20:08  -117.085798c -4.06  -2.71
iter:   9 11:21:02  -117.062815c -3.65  -2.78
iter:  10 11:21:56  -117.058695c -4.14  -2.94
iter:  11 11:22:50  -117.055975c -4.66  -3.07
iter:  12 11:23:44  -117.073923c -4.68  -3.17
iter:  13 11:24:39  -117.059464c -4.62  -2.99
iter:  14 11:25:33  -117.055286c -5.20  -3.16
iter:  15 11:26:27  -117.054638c -5.05  -3.39
iter:  16 11:27:22  -117.054556c -5.21  -3.61
iter:  17 11:28:16  -117.054169c -5.57  -3.75
iter:  18 11:29:09  -117.053897c -5.84  -3.96
iter:  19 11:30:04  -117.053943c -6.13  -4.12c
iter:  20 11:30:58  -117.053752c -6.59  -4.09c
iter:  21 11:31:53  -117.053779c -6.89  -4.26c
iter:  22 11:32:48  -117.053750c -6.77  -4.36c
iter:  23 11:33:42  -117.053834c -7.04  -4.40c
iter:  24 11:34:36  -117.053829c -7.34  -4.60c
iter:  25 11:35:31  -117.053852c -7.49c -4.65c

Converged after 25 iterations.

Dipole moment: (-2.489838, 1.777740, 0.030728) |e|*Ang

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

Kinetic:       -183.831290
Potential:      +15.204977
External:        +0.000000
XC:             +55.523199
Entropy (-ST):   -2.169649
Local:           -2.865914
--------------------------
Free energy:   -118.138676
Extrapolated:  -117.053852

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34476    1.41521
  0   304     -0.31323    1.27683
  0   305     -0.27898    1.11250
  0   306     -0.25101    0.97315

  1   303     -0.30815    1.25321
  1   304     -0.28330    1.13376
  1   305     -0.27183    1.07706
  1   306     -0.26483    1.04223


Fermi level: -0.25638

No gap

Forces in eV/Ang:
  0 Pd    0.02180   -0.02316   -0.06455
  1 Pd    0.00259   -0.15345   -0.18269
  2 Pd   -0.10403   -0.02406   -0.08437
  3 Pd    0.01749   -0.07948   -0.06429
  4 Pd   -0.04940    0.01813    0.01783
  5 Pd   -0.02152    0.02623    0.09227
  6 Pd   -0.02153    0.00923    0.01573
  7 Pd   -0.00351    0.02269    0.17181
  8 Pd   -0.04447    0.00128    0.07534
  9 Pd   -0.03590   -0.16734    0.17154
 10 Pd   -0.07151    0.03564   -0.06802
 11 Pd   -0.03811    0.08350   -0.01834
 12 Pd    0.08082   -0.02687    0.04167
 13 Au   -0.01524    0.20103    0.14226
 14 Au    0.13687    0.05731    0.02741
 15 Au   -0.00759   -0.15736   -0.08521
 16 Pd    0.04475   -0.03335    0.06536
 17 Au   -0.03429    0.03218   -0.00089
 18 Pd   -0.15531    0.00579    0.09574
 19 Pd    0.00199    0.16737    0.07581
 20 Au   -0.00807    0.00473   -0.33333
 21 Pd   -0.03109    0.05092   -0.05209
 22 Au    0.00546   -0.02994   -0.17791
 23 Pd    0.10499   -0.05459   -0.05459
 24 Pd    0.03108    0.08953   -0.08169
 25 Pd    0.04841    0.01191    0.01525
 26 Au   -0.02581   -0.04669   -0.00347
 27 Au    0.01762    0.02428    0.05256
 28 Pd   -0.00975    0.05043   -0.00229
 29 Pd    0.04569   -0.07346    0.05812
 30 Pd    0.06061   -0.05198    0.03068
 31 Pd    0.06175   -0.01985   -0.11506
 32 Pd    0.08267    0.01618   -0.16433
 33 Au   -0.15345   -0.03183    0.01976
 34 Pd    0.01458   -0.07267   -0.10200
 35 Pd   -0.05775    0.04978    0.01638
 36 Pd   -0.01022    0.04992    0.05256
 37 Pd   -0.02760   -0.00050    0.04403
 38 Pd   -0.00377   -0.05909    0.10961
 39 Pd    0.16082    0.03945    0.14413
 40 Pd   -0.00226    0.05805    0.11260

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.003296   -0.014535   10.013698    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.994578    1.972483    9.991466    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.994573    1.976004   11.970874    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.980786    0.019789   11.973817    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.983266    0.001870   14.014436    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.992477    1.961728   14.004164    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.980411    1.972309   16.054537    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.978038   -0.000147   16.074287    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.981148    0.001062   18.001942    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.978381    1.959908   18.067882    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.975566    4.025447    9.996542    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.974920    6.041674    9.992152    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.968178    6.042935   11.971906    ( 0.0000,  0.0000,  0.0000)
  13 Au     4.991142    3.991706   11.954879    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.960575    4.016096   14.014032    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.993285    6.063368   14.021335    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.961422    6.046640   16.060644    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.990299    4.015175   16.062324    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.939183    4.010442   18.045136    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.995121    6.066244   18.041678    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993670    4.009692   19.927562    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.983956    0.008778   10.002556    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.983210    2.003981    9.940211    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.990814    1.986702   11.986756    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.999888   -0.009676   11.986691    ( 0.0000,  0.0000,  0.0000)
  25 Pd     7.004682    0.000742   14.014700    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.979551    1.979582   13.991622    ( 0.0000,  0.0000,  0.0000)
  27 Au     7.004639    1.985240   16.054517    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.995442   -0.023985   16.036472    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.006357   -0.022652   18.013001    ( 0.0000,  0.0000,  0.0000)
  30 Pd     1.004669    1.998597   18.015498    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.011221    4.004098    9.981019    ( 0.0000,  0.0000,  0.0000)
  32 Pd     1.005595    6.016922    9.991836    ( 0.0000,  0.0000,  0.0000)
  33 Au     7.022113    6.032839   11.971594    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.984922    4.021893   11.966832    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.023411    4.015720   14.012741    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.980784    6.037440   14.036351    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.029298    6.035881   16.047130    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.984627    4.033949   16.084095    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.045593    4.027735   18.064055    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982075    6.024036   18.007175    ( 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 11:36:52  -120.495675  -2.02
iter:   2 11:37:45  -144.395116  -1.50  -1.95
iter:   3 11:38:40  -118.938027  -1.97  -1.53
iter:   4 11:39:35  -117.250384  -2.56  -2.17
iter:   5 11:40:30  -117.184087  -3.38  -2.64
iter:   6 11:41:26  -117.172805c -3.94  -2.70
iter:   7 11:42:23  -117.120960c -4.08  -2.78
iter:   8 11:43:18  -117.120834c -4.40  -3.08
iter:   9 11:44:14  -117.114290c -4.53  -3.08
iter:  10 11:45:10  -117.112410c -5.10  -3.29
iter:  11 11:46:06  -117.112638c -5.40  -3.40
iter:  12 11:47:01  -117.111429c -5.15  -3.44
iter:  13 11:47:57  -117.111624c -5.53  -3.64
iter:  14 11:48:53  -117.111663c -6.00  -3.76
iter:  15 11:49:48  -117.111169c -5.53  -3.69
iter:  16 11:50:42  -117.111136c -6.28  -4.02c
iter:  17 11:51:37  -117.111038c -6.38  -4.17c
iter:  18 11:52:32  -117.111034c -6.60  -4.21c
iter:  19 11:53:23  -117.110976c -6.84  -4.47c
iter:  20 11:54:16  -117.111007c -7.24  -4.52c
iter:  21 11:55:13  -117.111009c -7.38  -4.63c
iter:  22 11:56:09  -117.111062c -7.44c -4.74c

Converged after 22 iterations.

Dipole moment: (-1.950114, 1.776344, 0.026512) |e|*Ang

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

Kinetic:       -188.007200
Potential:      +18.676573
External:        +0.000000
XC:             +56.183504
Entropy (-ST):   -2.167325
Local:           -2.880277
--------------------------
Free energy:   -118.194725
Extrapolated:  -117.111062

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.35122    1.42778
  0   304     -0.31310    1.26044
  0   305     -0.28483    1.12460
  0   306     -0.25332    0.96769

  1   303     -0.31338    1.26175
  1   304     -0.28164    1.10886
  1   305     -0.27137    1.05787
  1   306     -0.26954    1.04873


Fermi level: -0.25978

No gap

Forces in eV/Ang:
  0 Pd   -0.01787   -0.00739   -0.10642
  1 Pd   -0.00675   -0.00379   -0.06846
  2 Pd   -0.00849    0.06955   -0.03632
  3 Pd    0.01653   -0.01583    0.05488
  4 Pd    0.03067   -0.01496    0.01715
  5 Pd   -0.00668    0.03454    0.03577
  6 Pd    0.01140    0.07644   -0.02640
  7 Pd    0.02356   -0.01178   -0.01882
  8 Pd   -0.07244   -0.00710    0.13703
  9 Pd   -0.00276   -0.09242    0.05200
 10 Pd    0.00504   -0.00105   -0.04845
 11 Pd   -0.00746    0.01305   -0.05685
 12 Pd    0.00016   -0.03402    0.06565
 13 Au    0.00275   -0.04325   -0.01552
 14 Au   -0.01338   -0.02813    0.02282
 15 Au    0.00011   -0.00676    0.04481
 16 Pd    0.06794   -0.05724    0.00819
 17 Au    0.01249   -0.01316    0.12621
 18 Pd   -0.06917    0.00652    0.04221
 19 Pd   -0.00316    0.07148    0.03924
 20 Au   -0.01860    0.02408   -0.14041
 21 Pd    0.02166    0.00101   -0.06634
 22 Au    0.01107   -0.03668   -0.15562
 23 Pd    0.00878    0.03568   -0.04026
 24 Pd   -0.02632   -0.00828   -0.08713
 25 Pd   -0.03793   -0.01754    0.01497
 26 Au    0.01343    0.10651    0.03429
 27 Au   -0.03694    0.07520    0.04841
 28 Pd   -0.02198    0.05513    0.00016
 29 Pd    0.07052   -0.01624    0.09841
 30 Pd    0.01215   -0.07443    0.07837
 31 Pd   -0.00523   -0.01077   -0.05126
 32 Pd    0.01033    0.03730   -0.08423
 33 Au    0.02140   -0.01508   -0.02288
 34 Pd    0.00220   -0.03100    0.00199
 35 Pd   -0.00356   -0.01117    0.02736
 36 Pd    0.00199   -0.03200   -0.02243
 37 Pd   -0.07796   -0.03838    0.00266
 38 Pd    0.00476   -0.05837   -0.05265
 39 Pd    0.08649    0.00634    0.03990
 40 Pd    0.00794    0.07428    0.14152

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.003823   -0.018521    9.998662    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993875    1.961580    9.974145    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.990563    1.980434   11.957743    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.981820    0.017619   11.974443    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.984990    0.000734   14.017969    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.990602    1.961054   14.011461    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.980065    1.978355   16.057046    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.978880   -0.000975   16.086386    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.968497    0.000283   18.020697    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.974464    1.934418   18.088021    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.971822    4.028723    9.986880    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.969769    6.050206    9.982485    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.968196    6.041153   11.977577    ( 0.0000,  0.0000,  0.0000)
  13 Au     4.990602    3.990203   11.950488    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.959639    4.015047   14.018636    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.992970    6.063616   14.025967    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.968509    6.041958   16.070623    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.990291    4.015148   16.086455    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.916830    4.011485   18.057850    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.994970    6.089481   18.052754    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.990811    4.013014   19.881512    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.983606    0.012046    9.991879    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.985003    1.997615    9.903523    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.994615    1.986913   11.976482    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.999883   -0.008993   11.968951    ( 0.0000,  0.0000,  0.0000)
  25 Pd     7.002011   -0.001141   14.017876    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.980003    1.988822   13.993414    ( 0.0000,  0.0000,  0.0000)
  27 Au     7.000984    1.993552   16.068693    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.993908   -0.018052   16.039356    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.018815   -0.030870   18.027414    ( 0.0000,  0.0000,  0.0000)
  30 Pd     1.011747    1.985431   18.026515    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.014508    4.000896    9.966994    ( 0.0000,  0.0000,  0.0000)
  32 Pd     1.013357    6.022745    9.973054    ( 0.0000,  0.0000,  0.0000)
  33 Au     7.022879    6.032017   11.964195    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.986071    4.016587   11.957763    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.024384    4.016686   14.017384    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.980399    6.037913   14.038880    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.021946    6.033419   16.053597    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.985422    4.027119   16.090702    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.070167    4.032504   18.080970    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982989    6.037524   18.028665    ( 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 11:57:35  -120.196316  -2.03
iter:   2 11:58:32  -140.718681  -1.55  -1.97
iter:   3 11:59:28  -118.791539  -2.01  -1.57
iter:   4 12:00:23  -117.302928  -2.63  -2.19
iter:   5 12:01:18  -117.224991  -3.35  -2.61
iter:   6 12:02:13  -117.180563c -4.16  -2.67
iter:   7 12:03:09  -117.159879c -4.20  -2.89
iter:   8 12:04:04  -117.155001c -4.33  -3.08
iter:   9 12:04:59  -117.150771c -4.67  -3.17
iter:  10 12:05:54  -117.149576c -5.29  -3.34
iter:  11 12:06:50  -117.150291c -5.43  -3.42
iter:  12 12:07:46  -117.149131c -5.05  -3.45
iter:  13 12:08:41  -117.148794c -5.80  -3.60
iter:  14 12:09:37  -117.148532c -5.96  -3.71
iter:  15 12:10:33  -117.148088c -5.75  -3.71
iter:  16 12:11:28  -117.148069c -6.49  -4.10c
iter:  17 12:12:24  -117.148039c -6.66  -4.20c
iter:  18 12:13:19  -117.148073c -6.83  -4.18c
iter:  19 12:14:15  -117.148067c -7.09  -4.50c
iter:  20 12:15:10  -117.148128c -7.22  -4.53c
iter:  21 12:16:05  -117.148130c -7.67c -4.65c

Converged after 21 iterations.

Dipole moment: (-1.466338, 2.195294, 0.020432) |e|*Ang

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

Kinetic:       -193.373477
Potential:      +23.089564
External:        +0.000000
XC:             +57.121427
Entropy (-ST):   -2.162377
Local:           -2.904455
--------------------------
Free energy:   -118.229318
Extrapolated:  -117.148130

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.36018    1.43691
  0   304     -0.31796    1.25179
  0   305     -0.29270    1.13028
  0   306     -0.25722    0.95367

  1   303     -0.32359    1.27797
  1   304     -0.28467    1.09064
  1   305     -0.27827    1.05883
  1   306     -0.27325    1.03375


Fermi level: -0.26649

No gap

Forces in eV/Ang:
  0 Pd   -0.00730    0.00244   -0.05148
  1 Pd   -0.01083    0.04019   -0.00131
  2 Pd    0.00581    0.02339   -0.00970
  3 Pd   -0.00330    0.02477    0.03761
  4 Pd   -0.01429    0.01816   -0.00271
  5 Pd    0.01296    0.05130   -0.00232
  6 Pd    0.03745    0.01876    0.01441
  7 Pd    0.00761    0.01974   -0.05086
  8 Pd   -0.04269   -0.00680    0.07234
  9 Pd    0.00442   -0.06192   -0.03249
 10 Pd    0.02787   -0.00381   -0.02537
 11 Pd    0.01374   -0.03148   -0.01361
 12 Pd   -0.01492   -0.02086    0.01344
 13 Au    0.02050   -0.05778   -0.04617
 14 Au    0.02665   -0.00801    0.00393
 15 Au    0.00965   -0.04302    0.03768
 16 Pd   -0.01199   -0.01625    0.00685
 17 Au    0.00890   -0.02021    0.12168
 18 Pd   -0.04016    0.00229   -0.01053
 19 Pd   -0.00529    0.02752    0.00870
 20 Au   -0.01765    0.03015    0.05133
 21 Pd    0.01431   -0.02656   -0.04580
 22 Au    0.01327   -0.00670   -0.06961
 23 Pd   -0.00353    0.03536   -0.01343
 24 Pd   -0.01734    0.02034    0.00382
 25 Pd    0.00999    0.03057    0.00363
 26 Au   -0.01830   -0.00765   -0.00545
 27 Au   -0.02981    0.00624    0.03378
 28 Pd   -0.01184   -0.00037   -0.02771
 29 Pd    0.04758    0.03460    0.06271
 30 Pd   -0.02459   -0.04407    0.06944
 31 Pd   -0.01959    0.00531   -0.00345
 32 Pd   -0.02040    0.00409   -0.01916
 33 Au    0.03844   -0.03068   -0.02964
 34 Pd   -0.01608   -0.00240   -0.01292
 35 Pd   -0.03459   -0.00914    0.00183
 36 Pd   -0.00470   -0.02117   -0.02034
 37 Pd    0.00383   -0.03210    0.01422
 38 Pd   -0.00581    0.03201   -0.04118
 39 Pd    0.06198   -0.00319   -0.02242
 40 Pd    0.01443    0.03067    0.04698

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.003881   -0.020038    9.987575    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.992333    1.960558    9.966380    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.988766    1.983145   11.950680    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.981481    0.019712   11.977389    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.982400    0.003309   14.018864    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.991485    1.966753   14.014261    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.984368    1.981287   16.061183    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.979491    0.001896   16.087450    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.958781   -0.000752   18.035430    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.972975    1.915593   18.092994    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.972981    4.030117    9.979887    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.969090    6.050326    9.977818    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.966948    6.038377   11.980276    ( 0.0000,  0.0000,  0.0000)
  13 Au     4.992876    3.985031   11.944058    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.964517    4.014942   14.020832    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.994047    6.056683   14.030938    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.968402    6.039145   16.076574    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.990752    4.013150   16.109996    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.901753    4.012122   18.061906    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.994310    6.103307   18.058542    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.987629    4.017884   19.868310    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.984363    0.010448    9.982399    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.987317    1.994653    9.880390    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.996621    1.990083   11.970667    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.998705   -0.004820   11.963245    ( 0.0000,  0.0000,  0.0000)
  25 Pd     7.003808    0.002782   14.019506    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.977066    1.988178   13.992358    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.996637    1.996042   16.078793    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.992226   -0.016661   16.036952    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.029173   -0.030221   18.039925    ( 0.0000,  0.0000,  0.0000)
  30 Pd     1.011926    1.975282   18.038742    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.014164    4.000277    9.960556    ( 0.0000,  0.0000,  0.0000)
  32 Pd     1.014689    6.024951    9.962893    ( 0.0000,  0.0000,  0.0000)
  33 Au     7.026269    6.027698   11.957672    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.984508    4.014114   11.950744    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.019758    4.016744   14.019061    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.979425    6.036808   14.038560    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.021322    6.029202   16.058872    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.984820    4.029593   16.091023    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.088705    4.034475   18.085928    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.985077    6.046082   18.041469    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 12:17:30  -117.946877  -2.48
iter:   2 12:18:24  -122.270617  -2.25  -2.25
iter:   3 12:19:20  -117.946150  -2.52  -1.92
iter:   4 12:20:17  -117.199056  -3.38  -2.31
iter:   5 12:21:12  -117.175938  -3.93  -2.94
iter:   6 12:22:06  -117.166575c -4.63  -3.05
iter:   7 12:23:02  -117.163918c -4.75  -3.30
iter:   8 12:23:58  -117.162954c -4.99  -3.45
iter:   9 12:24:53  -117.163454c -5.47  -3.58
iter:  10 12:25:48  -117.162693c -5.72  -3.62
iter:  11 12:26:43  -117.162562c -5.86  -3.71
iter:  12 12:27:38  -117.162255c -6.15  -3.96
iter:  13 12:28:34  -117.162132c -6.31  -3.92
iter:  14 12:29:29  -117.162036c -6.45  -4.18c
iter:  15 12:30:25  -117.162058c -6.63  -4.24c
iter:  16 12:31:19  -117.162207c -7.04  -4.41c
iter:  17 12:32:16  -117.162103c -7.47c -4.39c

Converged after 17 iterations.

Dipole moment: (-1.217880, 1.559694, 0.017643) |e|*Ang

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

Kinetic:       -197.456745
Potential:      +26.512592
External:        +0.000000
XC:             +57.782982
Entropy (-ST):   -2.158695
Local:           -2.921584
--------------------------
Free energy:   -118.241451
Extrapolated:  -117.162103

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.36699    1.44022
  0   304     -0.32330    1.24873
  0   305     -0.29897    1.13167
  0   306     -0.26084    0.94185

  1   303     -0.33182    1.28826
  1   304     -0.29173    1.09594
  1   305     -0.28381    1.05656
  1   306     -0.27608    1.01796


Fermi level: -0.27249

No gap

Forces in eV/Ang:
  0 Pd    0.00433   -0.00539   -0.01113
  1 Pd   -0.00377    0.02460    0.00223
  2 Pd   -0.00351    0.00531    0.00218
  3 Pd    0.00299    0.00018    0.01702
  4 Pd    0.01646   -0.00336   -0.00800
  5 Pd    0.01108    0.03340   -0.01185
  6 Pd   -0.01565   -0.00823    0.01449
  7 Pd   -0.00509   -0.02229   -0.05205
  8 Pd   -0.01402   -0.00814    0.01922
  9 Pd    0.00233    0.00409    0.01498
 10 Pd    0.02178    0.00118   -0.02133
 11 Pd    0.01249   -0.02485    0.00237
 12 Pd   -0.00634    0.00348   -0.01398
 13 Au   -0.00059   -0.01856   -0.02774
 14 Au   -0.00222   -0.02382   -0.00217
 15 Au    0.01634    0.00404    0.01655
 16 Pd   -0.01152    0.02196   -0.00837
 17 Au    0.00069    0.00424    0.07211
 18 Pd   -0.00633   -0.00808    0.00560
 19 Pd    0.00170    0.00932    0.00135
 20 Au   -0.00337    0.00521    0.04667
 21 Pd   -0.00072   -0.02268   -0.01703
 22 Au    0.00532    0.00652   -0.01790
 23 Pd   -0.00056    0.00272   -0.02547
 24 Pd   -0.00795   -0.00110   -0.00353
 25 Pd   -0.02583   -0.01431   -0.01362
 26 Au    0.00480    0.03513    0.01166
 27 Au    0.02314   -0.00938    0.00220
 28 Pd    0.00165   -0.00663   -0.00752
 29 Pd    0.01751    0.02571    0.02931
 30 Pd   -0.02373   -0.00996    0.02933
 31 Pd   -0.01161    0.00062   -0.02107
 32 Pd   -0.01380   -0.00248    0.00039
 33 Au    0.00886    0.01809    0.00506
 34 Pd    0.00965   -0.00835   -0.00045
 35 Pd   -0.01826   -0.01716    0.00619
 36 Pd   -0.00423   -0.02017   -0.02884
 37 Pd    0.01018    0.01409    0.01270
 38 Pd    0.00182    0.00136   -0.04461
 39 Pd    0.00341   -0.00731    0.01453
 40 Pd    0.00961    0.01137    0.01535

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.004719   -0.021437    9.982508    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.991438    1.962007    9.962854    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.986914    1.984276   11.948111    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.981887    0.019685   11.979751    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.983408    0.003736   14.018238    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.992987    1.972767   14.014274    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.983270    1.980978   16.064522    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.978899   -0.000054   16.082663    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.953812   -0.002095   18.042645    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.972485    1.909237   18.098077    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.975476    4.031035    9.974521    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.970122    6.047947    9.976626    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.966399    6.037938   11.979427    ( 0.0000,  0.0000,  0.0000)
  13 Au     4.993277    3.982847   11.939674    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.966648    4.012297   14.021416    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.996424    6.054122   14.033791    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.967165    6.041075   16.077885    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.990657    4.013458   16.126198    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.895156    4.011287   18.064727    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.994375    6.110065   18.061086    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.986233    4.019953   19.867369    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.984142    0.007515    9.977076    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.988707    1.994410    9.869774    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.997996    1.990760   11.965135    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.997674   -0.003072   11.960368    ( 0.0000,  0.0000,  0.0000)
  25 Pd     7.001340    0.002077   14.018319    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.976654    1.992143   13.993501    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.998652    1.995651   16.082512    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.991942   -0.016786   16.035371    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.034789   -0.027419   18.047736    ( 0.0000,  0.0000,  0.0000)
  30 Pd     1.009492    1.970662   18.046236    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.013141    3.999977    9.954890    ( 0.0000,  0.0000,  0.0000)
  32 Pd     1.014076    6.025393    9.958624    ( 0.0000,  0.0000,  0.0000)
  33 Au     7.027117    6.028677   11.956562    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.985489    4.011727   11.947684    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.015680    4.014960   14.020501    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.978502    6.034373   14.035246    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.022344    6.029962   16.062518    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.984871    4.030003   16.086490    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.095912    4.034481   18.090683    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.986896    6.050508   18.048000    ( 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 12:33:40  -117.321218  -3.05
iter:   2 12:34:30  -117.370110  -3.05  -2.57
iter:   3 12:35:23  -117.617612c -3.40  -2.59
iter:   4 12:36:20  -117.169327  -3.96  -2.38
iter:   5 12:37:17  -117.168190  -4.90  -3.40
iter:   6 12:38:13  -117.167016c -5.12  -3.48
iter:   7 12:39:10  -117.166476c -5.37  -3.66
iter:   8 12:40:06  -117.166420c -5.84  -3.81
iter:   9 12:41:02  -117.167227c -5.98  -3.91
iter:  10 12:41:58  -117.166457c -6.12  -3.82
iter:  11 12:42:53  -117.166483c -6.62  -4.02c
iter:  12 12:43:48  -117.166348c -6.51  -4.21c
iter:  13 12:44:45  -117.166311c -6.84  -4.42c
iter:  14 12:45:41  -117.166300c -7.00  -4.58c
iter:  15 12:46:36  -117.166285c -7.47c -4.69c

Converged after 15 iterations.

Dipole moment: (-1.110685, 1.722967, 0.016813) |e|*Ang

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

Kinetic:       -199.843192
Potential:      +28.535076
External:        +0.000000
XC:             +58.140529
Entropy (-ST):   -2.157300
Local:           -2.920048
--------------------------
Free energy:   -118.244935
Extrapolated:  -117.166285

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.36928    1.44191
  0   304     -0.32556    1.25056
  0   305     -0.30086    1.13172
  0   306     -0.26220    0.93926

  1   303     -0.33519    1.29508
  1   304     -0.29492    1.10244
  1   305     -0.28486    1.05245
  1   306     -0.27491    1.00273


Fermi level: -0.27436

No gap

Forces in eV/Ang:
  0 Pd    0.00743   -0.00126    0.00824
  1 Pd   -0.00229    0.00236    0.00319
  2 Pd    0.00007   -0.01043   -0.00618
  3 Pd   -0.00586    0.01048   -0.01107
  4 Pd    0.00423    0.00407   -0.01516
  5 Pd    0.00842    0.00874    0.00319
  6 Pd   -0.00576   -0.01607    0.01673
  7 Pd    0.00071    0.01106   -0.00350
  8 Pd    0.00665    0.00014   -0.00665
  9 Pd    0.00175    0.00267    0.00231
 10 Pd    0.00566   -0.00072   -0.01575
 11 Pd    0.00821   -0.00941    0.00330
 12 Pd   -0.00160    0.00293   -0.01434
 13 Au   -0.00102    0.00140   -0.00782
 14 Au    0.01350    0.00543    0.00348
 15 Au   -0.00743   -0.01483    0.00564
 16 Pd   -0.01112    0.00517   -0.01055
 17 Au    0.00016    0.00084    0.02318
 18 Pd   -0.00397   -0.00452    0.00640
 19 Pd    0.00318    0.00545    0.00722
 20 Au   -0.00041    0.00292    0.02351
 21 Pd   -0.00415   -0.00675   -0.00746
 22 Au    0.00307    0.00495    0.00260
 23 Pd    0.00403   -0.00596   -0.01783
 24 Pd    0.00207    0.00687    0.00014
 25 Pd    0.00186    0.01111   -0.00849
 26 Au   -0.00515   -0.00755   -0.00636
 27 Au   -0.00158   -0.01343   -0.00410
 28 Pd    0.00096   -0.00763   -0.00960
 29 Pd   -0.00601    0.01300    0.00388
 30 Pd   -0.00992    0.00797    0.00798
 31 Pd    0.00157    0.00251   -0.01291
 32 Pd   -0.00846   -0.00752    0.00946
 33 Au    0.00683   -0.00493   -0.00005
 34 Pd   -0.00109    0.00280   -0.01366
 35 Pd   -0.01077   -0.00592    0.00271
 36 Pd   -0.00024   -0.00887   -0.01715
 37 Pd    0.01719    0.01114    0.01320
 38 Pd   -0.00122    0.01071    0.00219
 39 Pd   -0.00267   -0.00201    0.01155
 40 Pd    0.00233   -0.00798   -0.00705

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    22.483    22.482   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                    110.817   110.817   1.6% ||
Hamiltonian:                                15.000     0.086   0.0% |
 Atomic:                                     2.658     1.825   0.0% |
  XC Correction:                             0.833     0.833   0.0% |
 Calculate atomic Hamiltonians:              8.420     8.420   0.1% |
 Communicate:                                0.010     0.010   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.060     0.060   0.0% |
 XC 3D grid:                                 3.765     3.765   0.1% |
LCAO initialization:                        71.741     0.382   0.0% |
 LCAO eigensolver:                           5.697     0.001   0.0% |
  Calculate projections:                     0.029     0.029   0.0% |
  DenseAtomicCorrection:                     0.031     0.031   0.0% |
  Distribute overlap matrix:                 0.006     0.006   0.0% |
  Orbital Layouts:                           0.279     0.279   0.0% |
  Potential matrix:                          5.322     5.322   0.1% |
  Sum over cells:                            0.029     0.029   0.0% |
 LCAO to grid:                              64.420    64.420   0.9% |
 Set positions (LCAO WFS):                   1.242     0.243   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.702     0.702   0.0% |
  ST tci:                                    0.231     0.231   0.0% |
  mktci:                                     0.065     0.065   0.0% |
PWDescriptor:                                0.476     0.476   0.0% |
Redistribute:                                0.052     0.052   0.0% |
SCF-cycle:                                6874.099   314.535   4.4% |-|
 Davidson:                                5690.932  1085.253  15.2% |-----|
  Apply H:                                 598.588   584.918   8.2% |--|
   HMM T:                                   13.670    13.670   0.2% |
  Subspace diag:                          1000.288     0.042   0.0% |
   calc_h_matrix:                          735.572   148.866   2.1% ||
    Apply H:                               586.706   572.859   8.0% |--|
     HMM T:                                 13.847    13.847   0.2% |
   diagonalize:                             23.891    23.891   0.3% |
   rotate_psi:                             240.783   240.783   3.4% ||
  calc. matrices:                         2089.439   926.783  13.0% |----|
   Apply H:                               1162.656  1135.436  15.9% |-----|
    HMM T:                                  27.220    27.220   0.4% |
  diagonalize:                             543.339   543.339   7.6% |--|
  rotate_psi:                              374.025   374.025   5.2% |-|
 Density:                                  536.046     0.009   0.0% |
  Atomic density matrices:                   1.706     1.706   0.0% |
  Mix:                                     217.812   217.812   3.1% ||
  Multipole moments:                         0.107     0.107   0.0% |
  Pseudo density:                          316.413   316.404   4.4% |-|
   Symmetrize density:                       0.009     0.009   0.0% |
 Hamiltonian:                              310.560     1.820   0.0% |
  Atomic:                                   55.802    37.305   0.5% |
   XC Correction:                           18.496    18.496   0.3% |
  Calculate atomic Hamiltonians:           173.890   173.890   2.4% ||
  Communicate:                               0.051     0.051   0.0% |
  Poisson:                                   1.185     1.185   0.0% |
  XC 3D grid:                               77.813    77.813   1.1% |
 Orthonormalize:                            22.026     0.004   0.0% |
  calc_s_matrix:                             3.308     3.308   0.0% |
  inverse-cholesky:                          0.571     0.571   0.0% |
  projections:                              12.375    12.375   0.2% |
  rotate_psi_s:                              5.768     5.768   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      35.186    35.186   0.5% |
-------------------------------------------------------------------
Total:                                              7129.855 100.0%

Memory usage: 1.01 GiB
Date: Mon Mar 27 12:46:56 2023
