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

User:   lacmarco@node253.cluster
Date:   Mon Mar 27 10:57:07 2023
Arch:   x86_64
Pid:    54568
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: 186.60 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      PdAu      |  
 |    |Pd Pd     Pd Pd    |  
 | Pd |    PdPd      Pd   |  
 |   Pd     Pd Pd     Au  |  
 |    |                   |  
 |    AuPd      PdPd      |  
 |    |Pd Pd     Au Pd    |  
 | Pd |    AuPd      Au   |  
 |   Pd        Au         |  
 |    |                   |  
 |    | Pd        Pd      |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    .-------------------.  
 |   /                   /   
 |  /                   /    
 | /                   /     
 |/                   /      
 *-------------------*       

Positions:
   0 Pd     2.988209    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Au     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 Au     2.988209    4.010895   10.000000    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.993657    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.988209    6.016342   12.005447    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.993657    4.010895   12.005447    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.988209    4.010895   14.010895    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993657    6.016342   14.010895    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.988209    6.016342   16.016342    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.993657    4.010895   16.016342    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.988209    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993657    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993657    4.010895   20.027237    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.999104    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982762    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.999104    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.982762    0.000000   12.005447    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.999104    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982762    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.999104    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.982762    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
  29 Au     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 Pd     0.982762    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.999104    6.016342   12.005447    ( 0.0000,  0.0000,  0.0000)
  34 Au     0.982762    4.010895   12.005447    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.999104    4.010895   14.010895    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982762    6.016342   14.010895    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.999104    6.016342   16.016342    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.982762    4.010895   16.016342    ( 0.0000,  0.0000,  0.0000)
  39 Pd     6.999104    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982762    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:59:22  -154.856087
iter:   2 11:00:08  -146.599935  -1.20  -1.19
iter:   3 11:00:54  -151.408578  -1.51  -1.26
iter:   4 11:01:39  -140.813569  -1.45  -1.24
iter:   5 11:02:25  -130.490489  -0.86  -1.30
iter:   6 11:03:10  -125.787623  -1.29  -1.53
iter:   7 11:03:56  -121.423384  -1.96  -1.73
iter:   8 11:04:42  -119.201467  -1.86  -1.83
iter:   9 11:05:27  -119.952479  -2.22  -1.99
iter:  10 11:06:14  -118.823174  -2.81  -2.04
iter:  11 11:07:00  -118.705891  -3.33  -2.14
iter:  12 11:07:46  -118.377951  -2.46  -2.18
iter:  13 11:08:33  -118.360467  -3.18  -2.41
iter:  14 11:09:20  -118.327649c -3.44  -2.60
iter:  15 11:10:06  -118.296077c -4.25  -2.63
iter:  16 11:10:52  -118.352371c -3.70  -2.80
iter:  17 11:11:39  -118.281221c -4.31  -2.75
iter:  18 11:12:26  -118.278935c -4.56  -3.08
iter:  19 11:13:12  -118.278773c -4.91  -3.21
iter:  20 11:13:58  -118.277409c -5.27  -3.26
iter:  21 11:14:45  -118.276441c -4.97  -3.38
iter:  22 11:15:35  -118.276095c -5.42  -3.63
iter:  23 11:16:20  -118.279183c -5.56  -3.66
iter:  24 11:17:06  -118.276026c -5.87  -3.46
iter:  25 11:17:51  -118.276228c -6.07  -3.77
iter:  26 11:18:35  -118.276200c -6.13  -3.81
iter:  27 11:19:20  -118.276125c -6.47  -3.93
iter:  28 11:20:03  -118.275948c -6.64  -4.07c
iter:  29 11:20:47  -118.276032c -6.95  -4.21c
iter:  30 11:21:32  -118.275847c -6.74  -4.30c
iter:  31 11:22:17  -118.276018c -7.14  -4.28c
iter:  32 11:23:03  -118.275902c -7.44c -4.43c

Converged after 32 iterations.

Dipole moment: (-3.306334, 0.056094, 0.069198) |e|*Ang

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

Kinetic:       -202.661501
Potential:      +28.388269
External:        +0.000000
XC:             +59.906769
Entropy (-ST):   -2.252222
Local:           -2.783328
--------------------------
Free energy:   -119.402013
Extrapolated:  -118.275902

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37984    1.41827
  0   304     -0.35771    1.32295
  0   305     -0.32350    1.16244
  0   306     -0.30300    1.06132

  1   303     -0.32437    1.16664
  1   304     -0.31507    1.12114
  1   305     -0.29121    1.00245
  1   306     -0.23910    0.74745


Fermi level: -0.29072

No gap

Forces in eV/Ang:
  0 Pd   -0.16810   -0.00389    0.15582
  1 Au    0.01122   -0.24528   -0.35915
  2 Pd   -0.04100   -0.29392    0.20759
  3 Pd   -0.12219    0.12526    0.21837
  4 Pd    0.01594   -0.00194   -0.00823
  5 Pd    0.00705    0.01957    0.03471
  6 Pd    0.11592   -0.03560   -0.13729
  7 Pd   -0.16265   -0.00790    0.02349
  8 Pd    0.08277   -0.09181   -0.20575
  9 Pd   -0.08142   -0.04583   -0.00302
 10 Au   -0.07547    0.00875   -0.51912
 11 Au   -0.18051    0.24081   -0.52201
 12 Pd   -0.03277    0.29812    0.20174
 13 Pd   -0.13330   -0.12354    0.38598
 14 Pd    0.13910    0.00017    0.21216
 15 Pd   -0.12513   -0.01848    0.21904
 16 Pd   -0.03590    0.04337    0.01925
 17 Pd   -0.00419    0.00874   -0.04126
 18 Pd   -0.05959    0.07757   -0.01778
 19 Pd   -0.07678    0.05428   -0.01311
 20 Au   -0.00105   -0.00085   -0.58652
 21 Pd    0.15078    0.12885    0.02609
 22 Pd   -0.00958   -0.27794    0.01608
 23 Pd    0.03997   -0.29037    0.20609
 24 Pd    0.13313    0.12539   -0.04486
 25 Pd   -0.01524    0.13459    0.11892
 26 Pd   -0.00963   -0.11092    0.13070
 27 Pd   -0.10654    0.11455   -0.23962
 28 Pd    0.15100   -0.14798   -0.19860
 29 Au   -0.10700   -0.11880    0.30714
 30 Au    0.11637    0.10470    0.30751
 31 Au    0.07578   -0.18656   -0.70153
 32 Pd    0.11627    0.25476   -0.11682
 33 Au    0.05417    0.40473    0.24902
 34 Au    0.18068   -0.16826    0.26471
 35 Pd   -0.12977   -0.12170    0.31373
 36 Pd    0.11661    0.10490    0.26756
 37 Pd    0.03782   -0.12256   -0.08673
 38 Pd    0.00577    0.16454    0.07473
 39 Pd    0.04984    0.07925   -0.01345
 40 Pd    0.08785   -0.07877   -0.21533

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.971399   -0.000389   10.015582    ( 0.0000,  0.0000,  0.0000)
   1 Au     4.994778    1.980920    9.964085    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.984109    1.976055   12.026206    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.981438    0.012526   12.027285    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.989803   -0.000194   14.010072    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.994362    2.007405   14.014365    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.999801    2.001887   16.002613    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.977391   -0.000790   16.018692    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.996486   -0.009181   18.001215    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.985515    2.000864   18.021487    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.980662    4.011769    9.948088    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.975605    6.040423    9.947799    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.984933    6.046154   12.025622    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.980326    3.998540   12.044046    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.002119    4.010912   14.032111    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.981144    6.014494   14.032799    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.984619    6.020679   16.018267    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.993237    4.011769   16.012216    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.982250    4.018651   18.020012    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.985979    6.021770   18.020478    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993552    4.010809   19.968585    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.014182    0.012885   10.002609    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.981804    1.977653   10.001608    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.003101    1.976410   12.026056    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.996075    0.012539   12.000962    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.997580    0.013459   14.022787    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.981799    1.994356   14.023965    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.988450    2.016902   15.992380    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.997862   -0.014798   15.996482    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.988403   -0.011880   18.052504    ( 0.0000,  0.0000,  0.0000)
  30 Au     0.994399    2.015918   18.052541    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.006682    3.992239    9.929847    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.994389    6.041818    9.988318    ( 0.0000,  0.0000,  0.0000)
  33 Au     7.004521    6.056815   12.030350    ( 0.0000,  0.0000,  0.0000)
  34 Au     1.000829    3.994069   12.031918    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.986127    3.998725   14.042268    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.994423    6.026832   14.037651    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.002886    6.004086   16.007669    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.983339    4.027349   16.023815    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.004088    4.018820   18.020445    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.991547    6.008466   18.000256    ( 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 11:24:09  -135.669734  -1.33
iter:   2 11:24:53  -198.685963  -0.84  -1.62
iter:   3 11:25:36  -125.755274  -1.56  -1.27
iter:   4 11:26:17  -118.988777  -1.94  -1.86
iter:   5 11:26:59  -118.705962  -2.78  -2.32
iter:   6 11:27:40  -118.656669  -3.21  -2.44
iter:   7 11:28:21  -118.651869c -3.47  -2.50
iter:   8 11:29:02  -118.529104c -3.43  -2.52
iter:   9 11:29:46  -118.506952c -3.89  -2.82
iter:  10 11:30:27  -118.503628c -4.49  -3.02
iter:  11 11:31:07  -118.500009c -4.57  -3.10
iter:  12 11:31:48  -118.499977c -4.74  -3.26
iter:  13 11:32:29  -118.505680c -4.94  -3.35
iter:  14 11:33:11  -118.499691c -5.21  -3.27
iter:  15 11:34:01  -118.498788c -5.32  -3.42
iter:  16 11:34:55  -118.498514c -5.54  -3.71
iter:  17 11:35:48  -118.498431c -5.88  -3.83
iter:  18 11:36:42  -118.498510c -6.10  -3.92
iter:  19 11:37:36  -118.498459c -6.23  -4.00c
iter:  20 11:38:30  -118.498651c -6.47  -4.13c
iter:  21 11:39:24  -118.498289c -6.70  -4.12c
iter:  22 11:40:19  -118.498414c -6.93  -4.17c
iter:  23 11:41:07  -118.498365c -7.15  -4.37c
iter:  24 11:41:54  -118.498371c -7.14  -4.46c
iter:  25 11:42:39  -118.498356c -7.40c -4.61c

Converged after 25 iterations.

Dipole moment: (-2.355826, -0.612962, 0.080418) |e|*Ang

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

Kinetic:       -207.906841
Potential:      +32.488103
External:        +0.000000
XC:             +60.885917
Entropy (-ST):   -2.248301
Local:           -2.841383
--------------------------
Free energy:   -119.622506
Extrapolated:  -118.498356

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.39057    1.44244
  0   304     -0.36420    1.33049
  0   305     -0.32254    1.13430
  0   306     -0.31331    1.08869

  1   303     -0.32695    1.15585
  1   304     -0.31610    1.10256
  1   305     -0.27736    0.90944
  1   306     -0.24493    0.75229


Fermi level: -0.29552

No gap

Forces in eV/Ang:
  0 Pd   -0.07071    0.02093    0.03686
  1 Au   -0.02654   -0.05511   -0.11579
  2 Pd    0.05276    0.02813   -0.00760
  3 Pd   -0.02143   -0.00008    0.03271
  4 Pd    0.02810    0.01193    0.07673
  5 Pd   -0.02594   -0.03690    0.05140
  6 Pd   -0.03028    0.01034    0.00137
  7 Pd    0.03613   -0.00714    0.03790
  8 Pd   -0.00313   -0.02371   -0.09707
  9 Pd   -0.02633   -0.08364   -0.07856
 10 Au   -0.01513   -0.02092   -0.13038
 11 Au    0.00679    0.04360   -0.11373
 12 Pd    0.02672   -0.03457    0.00742
 13 Pd    0.01798    0.02557   -0.14511
 14 Pd   -0.00110   -0.00225    0.12131
 15 Pd   -0.01365    0.02809    0.10060
 16 Pd    0.04123   -0.01463    0.01591
 17 Pd   -0.03919    0.01111    0.10794
 18 Pd   -0.07026    0.03149   -0.07918
 19 Pd   -0.03729    0.07707   -0.07614
 20 Au    0.00073   -0.00323   -0.30916
 21 Pd    0.04607    0.02774    0.01237
 22 Pd    0.01508   -0.07500    0.02977
 23 Pd   -0.02754    0.04441   -0.00056
 24 Pd    0.02892    0.01445    0.09098
 25 Pd   -0.03166    0.02857    0.17509
 26 Pd    0.02507   -0.01479    0.15151
 27 Pd    0.03974   -0.07116    0.12479
 28 Pd   -0.04539    0.07686    0.08943
 29 Au    0.02533   -0.00315    0.04852
 30 Au    0.01167   -0.03812    0.05103
 31 Au    0.02418    0.01211   -0.09721
 32 Pd    0.00555    0.03174    0.04358
 33 Au   -0.03116   -0.12985   -0.07210
 34 Au   -0.05360    0.04682   -0.03043
 35 Pd    0.02229    0.03316   -0.00963
 36 Pd    0.01641   -0.02343    0.03539
 37 Pd   -0.03865    0.05918    0.01005
 38 Pd    0.03977   -0.05741    0.04441
 39 Pd    0.07671    0.01676   -0.07490
 40 Pd    0.03230    0.01587   -0.09677

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.961312    0.001874   10.021760    ( 0.0000,  0.0000,  0.0000)
   1 Au     4.991993    1.971518    9.946436    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.989393    1.975206   12.028163    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.977421    0.014205   12.033846    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.993126    0.001100   14.018449    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.991588    2.003586   14.020519    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.998013    2.002551   16.000914    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.979196   -0.001686   16.023201    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.997256   -0.013041   17.987703    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.981505    1.990994   18.012756    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.977972    4.009573    9.926669    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.973924    6.048491    9.928183    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.987447    6.046347   12.029161    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.980519    3.999704   12.033194    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.003872    4.010666   14.048390    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.977948    6.017352   14.046879    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.988697    6.019645   16.020286    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.988845    4.013115   16.023601    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.973675    4.023181   18.011013    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.980819    6.031027   18.011878    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993618    4.010441   19.926481    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.021310    0.017691   10.004329    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.983343    1.965611   10.005117    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.000593    1.977410   12.028771    ( 0.0000,  0.0000,  0.0000)
  24 Pd     1.001067    0.015828   12.010422    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.993872    0.018433   14.043759    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.984443    1.991225   14.042487    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.991410    2.010574   16.002956    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.994876   -0.008290   16.003699    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.989763   -0.013830   18.062010    ( 0.0000,  0.0000,  0.0000)
  30 Au     0.997258    2.013112   18.062329    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.010378    3.991064    9.909640    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.996570    6.048761    9.991565    ( 0.0000,  0.0000,  0.0000)
  33 Au     7.001803    6.047905   12.025729    ( 0.0000,  0.0000,  0.0000)
  34 Au     0.997335    3.996981   12.032118    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.986844    4.000753   14.045430    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.997809    6.025653   14.045171    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.999120    6.008981   16.007612    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.987817    4.023215   16.029734    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.013246    4.021742   18.011978    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.996304    6.009160   17.986650    ( 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 11:43:48  -124.385663  -2.10
iter:   2 11:44:34  -158.569961  -1.23  -1.84
iter:   3 11:45:21  -122.381348  -1.92  -1.44
iter:   4 11:46:07  -118.805918  -2.38  -2.03
iter:   5 11:46:52  -118.585802  -3.10  -2.59
iter:   6 11:47:38  -118.568415c -3.92  -2.84
iter:   7 11:48:24  -118.555401c -4.15  -2.94
iter:   8 11:49:10  -118.561022c -4.08  -3.08
iter:   9 11:50:07  -118.553330c -4.66  -3.05
iter:  10 11:50:54  -118.545637c -5.27  -3.15
iter:  11 11:51:40  -118.545239c -5.34  -3.38
iter:  12 11:52:27  -118.543253c -5.21  -3.46
iter:  13 11:53:14  -118.543248c -5.57  -3.73
iter:  14 11:53:58  -118.543040c -5.96  -3.77
iter:  15 11:54:42  -118.543197c -5.88  -3.86
iter:  16 11:55:36  -118.542803c -6.28  -4.19c
iter:  17 11:56:27  -118.542848c -6.82  -4.21c
iter:  18 11:57:14  -118.542925c -6.92  -4.27c
iter:  19 11:58:00  -118.542940c -7.07  -4.48c
iter:  20 11:58:46  -118.543021c -7.28  -4.60c
iter:  21 11:59:32  -118.542981c -7.54c -4.68c

Converged after 21 iterations.

Dipole moment: (-2.049774, -1.457994, 0.082674) |e|*Ang

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

Kinetic:       -208.792728
Potential:      +33.192400
External:        +0.000000
XC:             +61.004426
Entropy (-ST):   -2.244255
Local:           -2.824951
--------------------------
Free energy:   -119.665108
Extrapolated:  -118.542981

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.39286    1.44271
  0   304     -0.37059    1.34895
  0   305     -0.32374    1.12926
  0   306     -0.31595    1.09080

  1   303     -0.32785    1.14940
  1   304     -0.31659    1.09400
  1   305     -0.27253    0.87462
  1   306     -0.24725    0.75276


Fermi level: -0.29774

No gap

Forces in eV/Ang:
  0 Pd   -0.02007   -0.00065    0.02116
  1 Au   -0.00893   -0.02149   -0.05073
  2 Pd    0.01582    0.09829   -0.00172
  3 Pd    0.04355   -0.03868   -0.00958
  4 Pd   -0.00362   -0.00573    0.05577
  5 Pd    0.01186    0.03716    0.03647
  6 Pd   -0.01362   -0.00459    0.04675
  7 Pd    0.02877    0.01773    0.02684
  8 Pd   -0.02187    0.00032   -0.03148
  9 Pd   -0.01899   -0.07430   -0.06461
 10 Au   -0.01829   -0.01331   -0.03385
 11 Au    0.00402    0.03427   -0.03611
 12 Pd    0.03693   -0.07370   -0.00820
 13 Pd   -0.00772    0.01669   -0.11625
 14 Pd    0.00142   -0.00608   -0.01252
 15 Pd    0.02505   -0.01239   -0.00422
 16 Pd   -0.00617    0.01301   -0.01787
 17 Pd    0.02929   -0.02374    0.05594
 18 Pd   -0.06800   -0.00079   -0.04746
 19 Pd   -0.00309    0.07155   -0.04667
 20 Au    0.00147   -0.00405   -0.17557
 21 Pd    0.01227   -0.00247    0.04857
 22 Pd    0.00852    0.00055    0.04460
 23 Pd   -0.02182    0.03993    0.00414
 24 Pd   -0.04514   -0.01744    0.13255
 25 Pd   -0.00414   -0.03343    0.00093
 26 Pd    0.00197    0.03569    0.01329
 27 Pd    0.00968    0.00489    0.10381
 28 Pd   -0.02180    0.02058    0.06737
 29 Au    0.02974   -0.00882    0.05929
 30 Au    0.01305   -0.03552    0.05895
 31 Au    0.01170   -0.00732   -0.03800
 32 Pd    0.00237    0.00002    0.04988
 33 Au   -0.04961   -0.01753   -0.01497
 34 Au    0.01874   -0.01504   -0.02854
 35 Pd   -0.00998    0.00064    0.01332
 36 Pd   -0.01635   -0.00052    0.00485
 37 Pd    0.00134    0.01815    0.02188
 38 Pd   -0.01839   -0.03697    0.00272
 39 Pd    0.07282    0.01148   -0.07711
 40 Pd    0.00486    0.03170   -0.04422

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.951278    0.002868   10.029891    ( 0.0000,  0.0000,  0.0000)
   1 Au     4.989199    1.960864    9.925649    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.994321    1.988496   12.030819    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.981552    0.009742   12.037602    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.994342    0.000771   14.031947    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.992247    2.008084   14.030063    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.995921    2.001780   16.006607    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.983397    0.000762   16.030196    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.994754   -0.015797   17.973677    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.975532    1.973125   17.997490    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.972836    4.006317    9.905307    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.972048    6.060577    9.907322    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.994601    6.036891   12.031471    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.978062    4.001924   12.011868    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.006307    4.009524   14.056489    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.979362    6.016538   14.055326    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.989375    6.021716   16.018486    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.991507    4.009892   16.038329    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.957385    4.026061   17.998352    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.976978    6.048205   17.999594    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993889    4.009569   19.870289    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.028381    0.020912   10.013591    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.985457    1.957017   10.014520    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.996046    1.981872   12.032778    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.997263    0.015741   12.037001    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.991168    0.016599   14.055597    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.986014    1.994589   14.055276    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.993519    2.009289   16.023438    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.991140   -0.002957   16.016761    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.994428   -0.017412   18.079643    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.001984    2.006727   18.080050    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.014918    3.987484    9.886469    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.999162    6.054665   10.000467    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.992623    6.044296   12.023241    ( 0.0000,  0.0000,  0.0000)
  34 Au     1.000424    3.994335   12.029928    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.984306    4.000733   14.052218    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.997872    6.025963   14.052296    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.997805    6.013335   16.010436    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.987040    4.016484   16.033876    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.030546    4.025887   17.994650    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.000343    6.014085   17.970347    ( 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 12:00:39  -124.413378  -2.03
iter:   2 12:01:24  -158.180286  -1.22  -1.84
iter:   3 12:02:12  -122.164182  -1.91  -1.44
iter:   4 12:02:57  -118.814675  -2.38  -2.03
iter:   5 12:03:42  -118.620798  -3.11  -2.60
iter:   6 12:04:28  -118.604630c -3.95  -2.83
iter:   7 12:05:13  -118.589372c -4.12  -2.91
iter:   8 12:05:58  -118.609703c -3.98  -3.03
iter:   9 12:06:44  -118.587378c -4.49  -2.93
iter:  10 12:07:30  -118.577276c -5.19  -3.09
iter:  11 12:08:15  -118.576372c -5.22  -3.32
iter:  12 12:09:01  -118.574133c -5.14  -3.43
iter:  13 12:09:49  -118.574200c -5.40  -3.64
iter:  14 12:10:35  -118.573983c -5.89  -3.68
iter:  15 12:11:20  -118.574127c -5.80  -3.75
iter:  16 12:12:06  -118.573733c -6.11  -4.15c
iter:  17 12:12:51  -118.573736c -6.72  -4.24c
iter:  18 12:13:38  -118.573833c -6.80  -4.23c
iter:  19 12:14:24  -118.573840c -7.01  -4.45c
iter:  20 12:15:09  -118.573945c -7.26  -4.52c
iter:  21 12:15:54  -118.573917c -7.55c -4.68c

Converged after 21 iterations.

Dipole moment: (-1.793237, -1.408994, 0.083824) |e|*Ang

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

Kinetic:       -208.648575
Potential:      +33.022253
External:        +0.000000
XC:             +60.986907
Entropy (-ST):   -2.238345
Local:           -2.815330
--------------------------
Free energy:   -119.693089
Extrapolated:  -118.573917

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.39692    1.44476
  0   304     -0.37916    1.37079
  0   305     -0.32541    1.12000
  0   306     -0.31888    1.08771

  1   303     -0.32998    1.14245
  1   304     -0.31823    1.08450
  1   305     -0.27113    0.85035
  1   306     -0.25004    0.74920


Fermi level: -0.30129

No gap

Forces in eV/Ang:
  0 Pd    0.00215   -0.00095    0.05697
  1 Au    0.00155    0.00062    0.01592
  2 Pd    0.03037   -0.00550    0.00418
  3 Pd   -0.01770    0.02090   -0.01293
  4 Pd    0.01099    0.01368   -0.02804
  5 Pd    0.02180    0.02831   -0.00669
  6 Pd   -0.02311    0.00744    0.01857
  7 Pd    0.03718    0.00843   -0.04333
  8 Pd   -0.02844    0.00512    0.05131
  9 Pd   -0.00216   -0.03156    0.00496
 10 Au    0.00470    0.00467    0.00375
 11 Au    0.00286   -0.00333    0.00607
 12 Pd    0.01429   -0.01962   -0.00711
 13 Pd    0.02124   -0.00128   -0.06833
 14 Pd    0.01613    0.00694   -0.03647
 15 Pd    0.01820   -0.03799   -0.03217
 16 Pd   -0.00625   -0.01361   -0.04733
 17 Pd    0.00923    0.00374    0.00133
 18 Pd   -0.03082   -0.00590   -0.02296
 19 Pd    0.01144    0.02344   -0.01768
 20 Au    0.00957   -0.00709   -0.04010
 21 Pd    0.00359   -0.01004    0.03899
 22 Pd   -0.00473    0.01999    0.04167
 23 Pd   -0.02933    0.04516   -0.00161
 24 Pd   -0.00161   -0.01460    0.06438
 25 Pd    0.00372    0.00545   -0.03556
 26 Pd   -0.02686    0.02777   -0.03489
 27 Pd    0.02336   -0.01606    0.01495
 28 Pd   -0.03510    0.01732   -0.01485
 29 Au    0.02597   -0.00219    0.05448
 30 Au    0.00098   -0.02318    0.05710
 31 Au   -0.00287   -0.00184    0.03024
 32 Pd   -0.01528   -0.01720    0.05594
 33 Au    0.00131   -0.05383   -0.00042
 34 Au   -0.02987    0.02153   -0.00580
 35 Pd   -0.00897   -0.00347   -0.02179
 36 Pd   -0.02898   -0.02635   -0.02662
 37 Pd    0.01231    0.01466    0.00720
 38 Pd   -0.01141   -0.01306   -0.05511
 39 Pd    0.03651    0.00817   -0.00883
 40 Pd   -0.00903    0.02371    0.02919

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.948043    0.003189   10.039537    ( 0.0000,  0.0000,  0.0000)
   1 Au     4.988504    1.957252    9.920649    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.999601    1.990306   12.032433    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.979748    0.011640   12.037832    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.996308    0.002493   14.032366    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.994808    2.012229   14.032051    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.992621    2.002526   16.009798    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.988828    0.002249   16.026947    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.990906   -0.016305   17.975170    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.973406    1.964195   17.993795    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.971876    4.005952    9.898081    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.971539    6.064046    9.900664    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.998162    6.032816   12.031769    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.979924    4.002197   11.998211    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.009211    4.010092   14.055748    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.981413    6.011951   14.054989    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.989103    6.020484   16.012509    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.992810    4.009764   16.042861    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.949008    4.026545   17.991780    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.976896    6.055937   17.993799    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.995127    4.008466   19.847715    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.031336    0.021070   10.020666    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.985491    1.955938   10.022112    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.991244    1.988069   12.034061    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.996886    0.014440   12.051744    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.990631    0.017534   14.056125    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.983322    1.998281   14.055884    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.996981    2.006594   16.030564    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.985937    0.000776   16.018297    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.998633   -0.018858   18.091684    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.003626    2.002332   18.092458    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.016065    3.986054    9.881920    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.998265    6.054950   10.009466    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.990524    6.036640   12.022556    ( 0.0000,  0.0000,  0.0000)
  34 Au     0.997402    3.996399   12.029141    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.982507    4.000316   14.051865    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.994842    6.022852   14.051780    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.998709    6.016402   16.011820    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.985907    4.013211   16.028751    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.039889    4.028227   17.988809    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.000743    6.018050   17.968593    ( 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 12:17:03  -118.660636  -2.91
iter:   2 12:17:48  -119.309971  -3.18  -2.79
iter:   3 12:18:33  -118.613881  -3.47  -2.26
iter:   4 12:19:19  -118.589701  -4.50  -2.99
iter:   5 12:20:06  -118.587241c -4.90  -3.30
iter:   6 12:20:54  -118.584472c -4.94  -3.41
iter:   7 12:21:40  -118.584148c -5.23  -3.59
iter:   8 12:22:24  -118.583844c -5.74  -3.71
iter:   9 12:23:10  -118.584346c -5.63  -3.77
iter:  10 12:23:57  -118.583589c -6.02  -3.93
iter:  11 12:24:42  -118.583811c -6.39  -4.04c
iter:  12 12:25:27  -118.583786c -6.63  -4.19c
iter:  13 12:26:12  -118.583751c -6.74  -4.27c
iter:  14 12:26:57  -118.583805c -6.79  -4.41c
iter:  15 12:27:42  -118.583723c -7.09  -4.58c
iter:  16 12:28:26  -118.583791c -7.48c -4.60c

Converged after 16 iterations.

Dipole moment: (-1.801744, -1.737912, 0.082351) |e|*Ang

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

Kinetic:       -208.846916
Potential:      +33.225842
External:        +0.000000
XC:             +60.957594
Entropy (-ST):   -2.234441
Local:           -2.803090
--------------------------
Free energy:   -119.701012
Extrapolated:  -118.583791

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.39939    1.44851
  0   304     -0.38146    1.37409
  0   305     -0.32664    1.11851
  0   306     -0.31897    1.08057

  1   303     -0.33136    1.14174
  1   304     -0.31963    1.08386
  1   305     -0.27285    0.85124
  1   306     -0.25103    0.74670


Fermi level: -0.30282

No gap

Forces in eV/Ang:
  0 Pd   -0.00035   -0.00581    0.03521
  1 Au    0.00389    0.00493    0.01102
  2 Pd   -0.00592    0.01076    0.00922
  3 Pd    0.01366   -0.00375    0.00210
  4 Pd    0.00386    0.00587   -0.00957
  5 Pd    0.00973    0.02203   -0.00070
  6 Pd   -0.01318   -0.00896   -0.00364
  7 Pd   -0.00043    0.00115   -0.02596
  8 Pd   -0.01518   -0.00561    0.02699
  9 Pd    0.00762   -0.01477    0.01081
 10 Au    0.00053    0.00394    0.01569
 11 Au    0.00383   -0.00403    0.01326
 12 Pd    0.00617   -0.00823    0.00374
 13 Pd    0.00199   -0.00503   -0.02080
 14 Pd    0.01150   -0.00970   -0.04184
 15 Pd    0.01660   -0.01491   -0.03209
 16 Pd   -0.01508    0.01799   -0.01839
 17 Pd    0.01158   -0.00408   -0.00514
 18 Pd   -0.00952   -0.00141   -0.00830
 19 Pd    0.00578    0.00619   -0.01059
 20 Au    0.00741   -0.00411    0.00359
 21 Pd    0.00023   -0.01065    0.03656
 22 Pd   -0.00150    0.01693    0.03446
 23 Pd   -0.01016    0.00875   -0.00490
 24 Pd   -0.01035   -0.00213    0.01304
 25 Pd   -0.00319    0.00069   -0.05418
 26 Pd   -0.00911    0.01534   -0.04239
 27 Pd    0.01050   -0.00298   -0.00363
 28 Pd    0.00257   -0.00202   -0.02892
 29 Au    0.01156    0.00205    0.04038
 30 Au   -0.00555   -0.00590    0.03879
 31 Au   -0.00808   -0.00308    0.01669
 32 Pd   -0.00646   -0.01019    0.02596
 33 Au   -0.01804    0.00495    0.00785
 34 Au    0.01383   -0.00849    0.00391
 35 Pd   -0.01657   -0.00703    0.00259
 36 Pd   -0.01093   -0.00656   -0.00975
 37 Pd    0.01427    0.00688   -0.00191
 38 Pd   -0.00884    0.00314   -0.02609
 39 Pd    0.01959   -0.00151    0.00696
 40 Pd   -0.00114    0.01068    0.02421

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.946262    0.002681   10.047657    ( 0.0000,  0.0000,  0.0000)
   1 Au     4.988577    1.956308    9.919488    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.000740    1.992527   12.034163    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.980935    0.011657   12.038658    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.997730    0.003946   14.031963    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.996576    2.016051   14.033070    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.989516    2.001539   16.010050    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.990561    0.002705   16.022761    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.987691   -0.017565   17.978287    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.973631    1.958743   17.993500    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.971514    4.006190    9.896782    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.971991    6.064934    9.899362    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.000278    6.030272   12.032541    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.980889    4.001799   11.990051    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.011669    4.008808   14.050999    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.984146    6.008922   14.051509    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.987332    6.022601   16.008476    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.994339    4.009292   16.044547    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.944617    4.026868   17.987928    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.977247    6.059753   17.989855    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.996537    4.007543   19.838568    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.032730    0.019934   10.027954    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.985453    1.957138   10.029442    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.988204    1.991394   12.033732    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.995703    0.014010   12.058490    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.989644    0.018286   14.050527    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.981588    2.001244   14.051730    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.999858    2.004623   16.033263    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.984455    0.002331   16.015466    ( 0.0000,  0.0000,  0.0000)
  29 Au     7.001671   -0.019003   18.101335    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.003413    1.999917   18.102005    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.015493    3.985332    9.881822    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.997187    6.053994   10.016057    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.987029    6.033909   12.022729    ( 0.0000,  0.0000,  0.0000)
  34 Au     0.998007    3.996237   12.029231    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.979868    3.999550   14.052106    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.992700    6.020828   14.050720    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.000564    6.018873   16.011986    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.984819    4.012190   16.024166    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.046069    4.028835   17.987443    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.001092    6.020788   17.970464    ( 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 12:29:34  -118.979376  -3.08
iter:   2 12:30:18  -124.345316  -2.29  -2.39
iter:   3 12:31:03  -118.720297  -2.80  -1.87
iter:   4 12:31:49  -118.594603  -3.60  -2.72
iter:   5 12:32:33  -118.591119c -4.53  -3.36
iter:   6 12:33:18  -118.588951c -4.94  -3.44
iter:   7 12:34:03  -118.588242c -5.20  -3.58
iter:   8 12:34:46  -118.588326c -5.61  -3.72
iter:   9 12:35:31  -118.588120c -6.22  -3.91
iter:  10 12:36:17  -118.588642c -6.11  -3.88
iter:  11 12:37:01  -118.588432c -6.35  -4.03c
iter:  12 12:37:46  -118.588465c -6.53  -4.16c
iter:  13 12:38:31  -118.588318c -6.82  -4.22c
iter:  14 12:39:16  -118.588223c -6.94  -4.40c
iter:  15 12:40:04  -118.588355c -7.15  -4.56c
iter:  16 12:40:49  -118.588118c -7.20  -4.43c
iter:  17 12:41:34  -118.588165c -7.77c -4.65c

Converged after 17 iterations.

Dipole moment: (-1.827997, -1.776261, 0.080879) |e|*Ang

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

Kinetic:       -208.468842
Potential:      +32.882917
External:        +0.000000
XC:             +60.914388
Entropy (-ST):   -2.232498
Local:           -2.800380
--------------------------
Free energy:   -119.704415
Extrapolated:  -118.588165

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.40050    1.44997
  0   304     -0.38215    1.37388
  0   305     -0.32737    1.11845
  0   306     -0.31848    1.07444

  1   303     -0.33191    1.14075
  1   304     -0.32075    1.08569
  1   305     -0.27503    0.85826
  1   306     -0.25129    0.74438


Fermi level: -0.30357

No gap

Forces in eV/Ang:
  0 Pd   -0.00144   -0.00274    0.02438
  1 Au   -0.00232   -0.00582    0.00866
  2 Pd    0.00309   -0.00360    0.00235
  3 Pd   -0.00169    0.00492    0.00096
  4 Pd    0.00256    0.00114   -0.01471
  5 Pd   -0.00109    0.00500   -0.00284
  6 Pd   -0.00561   -0.00452   -0.00189
  7 Pd   -0.00247    0.00044   -0.00142
  8 Pd   -0.00004   -0.00275    0.00257
  9 Pd    0.00375   -0.01142   -0.00289
 10 Au   -0.00068    0.00316    0.01413
 11 Au   -0.00283    0.00198    0.01023
 12 Pd    0.00246    0.00282    0.00672
 13 Pd   -0.00910   -0.00696   -0.00053
 14 Pd    0.01217    0.00004   -0.00946
 15 Pd   -0.00448   -0.00493   -0.00514
 16 Pd   -0.00300    0.00523   -0.01152
 17 Pd   -0.00069   -0.00126   -0.00092
 18 Pd   -0.00032   -0.00063   -0.01063
 19 Pd    0.00282    0.00102   -0.01189
 20 Au    0.00284    0.00120    0.00754
 21 Pd    0.00289   -0.00134    0.02162
 22 Pd   -0.00110    0.00173    0.01906
 23 Pd   -0.00245   -0.00122   -0.00689
 24 Pd   -0.00456   -0.00374   -0.00362
 25 Pd   -0.00000    0.00497   -0.02232
 26 Pd   -0.00400   -0.00084   -0.01880
 27 Pd    0.00501   -0.00679   -0.00412
 28 Pd    0.00146    0.00081   -0.01703
 29 Au   -0.00293   -0.00024    0.01055
 30 Au   -0.00014    0.00549    0.00975
 31 Au   -0.00065   -0.00119    0.00527
 32 Pd   -0.00279   -0.00131    0.01329
 33 Au    0.00237    0.00649    0.00570
 34 Au    0.00587    0.00209    0.00467
 35 Pd   -0.00710   -0.00381    0.00250
 36 Pd   -0.00034    0.00209   -0.01253
 37 Pd    0.00555    0.01016   -0.00080
 38 Pd    0.00313    0.00314    0.00062
 39 Pd    0.01105   -0.00185    0.00351
 40 Pd    0.00182   -0.00094    0.00716

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    15.754    15.753   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                     82.490    82.490   1.3% ||
Hamiltonian:                                12.492     0.067   0.0% |
 Atomic:                                     2.664     1.410   0.0% |
  XC Correction:                             1.254     1.254   0.0% |
 Calculate atomic Hamiltonians:              5.961     5.961   0.1% |
 Communicate:                                0.032     0.032   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.051     0.051   0.0% |
 XC 3D grid:                                 3.718     3.718   0.1% |
LCAO initialization:                        76.647     0.502   0.0% |
 LCAO eigensolver:                           7.742     0.002   0.0% |
  Calculate projections:                     0.037     0.037   0.0% |
  DenseAtomicCorrection:                     0.040     0.040   0.0% |
  Distribute overlap matrix:                 0.009     0.009   0.0% |
  Orbital Layouts:                           0.339     0.339   0.0% |
  Potential matrix:                          7.282     7.282   0.1% |
  Sum over cells:                            0.031     0.031   0.0% |
 LCAO to grid:                              66.781    66.781   1.1% |
 Set positions (LCAO WFS):                   1.622     0.342   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.891     0.891   0.0% |
  ST tci:                                    0.298     0.298   0.0% |
  mktci:                                     0.088     0.088   0.0% |
PWDescriptor:                                0.587     0.587   0.0% |
Redistribute:                                0.034     0.034   0.0% |
SCF-cycle:                                6056.608   151.307   2.4% ||
 Davidson:                                5215.978  1080.446  17.2% |------|
  Apply H:                                 468.646   458.164   7.3% |--|
   HMM T:                                   10.482    10.482   0.2% |
  Subspace diag:                           878.310     0.035   0.0% |
   calc_h_matrix:                          619.373   154.186   2.5% ||
    Apply H:                               465.188   454.210   7.2% |--|
     HMM T:                                 10.978    10.978   0.2% |
   diagonalize:                             17.543    17.543   0.3% |
   rotate_psi:                             241.359   241.359   3.8% |-|
  calc. matrices:                         1869.912   947.737  15.1% |-----|
   Apply H:                                922.175   901.301  14.4% |-----|
    HMM T:                                  20.874    20.874   0.3% |
  diagonalize:                             458.714   458.714   7.3% |--|
  rotate_psi:                              459.951   459.951   7.3% |--|
 Density:                                  408.127     0.007   0.0% |
  Atomic density matrices:                   1.922     1.922   0.0% |
  Mix:                                     155.629   155.629   2.5% ||
  Multipole moments:                         0.124     0.124   0.0% |
  Pseudo density:                          250.445   250.438   4.0% |-|
   Symmetrize density:                       0.007     0.007   0.0% |
 Hamiltonian:                              260.286     1.536   0.0% |
  Atomic:                                   54.368    27.729   0.4% |
   XC Correction:                           26.638    26.638   0.4% |
  Calculate atomic Hamiltonians:           125.252   125.252   2.0% ||
  Communicate:                               0.059     0.059   0.0% |
  Poisson:                                   0.915     0.915   0.0% |
  XC 3D grid:                               78.155    78.155   1.2% |
 Orthonormalize:                            20.910     0.003   0.0% |
  calc_s_matrix:                             3.442     3.442   0.1% |
  inverse-cholesky:                          0.298     0.298   0.0% |
  projections:                              11.470    11.470   0.2% |
  rotate_psi_s:                              5.698     5.698   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      35.810    35.810   0.6% |
-------------------------------------------------------------------
Total:                                              6280.425 100.0%

Memory usage: 1.01 GiB
Date: Mon Mar 27 12:41:47 2023
