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

User:   lacmarco@node489.cluster
Date:   Mon Mar 27 11:14:49 2023
Arch:   x86_64
Pid:    39125
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: -8661686.411014

Spin-paired calculation

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

Symmetries present (total): 1

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

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

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

Occupation numbers: Fermi-Dirac: width=0.1000 eV
 

Eigensolver
   Davidson(niter=2) 

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

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

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

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 184.52 MiB
  Calculator: 508.25 MiB
    Density: 54.04 MiB
      Arrays: 22.22 MiB
      Localized functions: 23.28 MiB
      Mixer: 8.54 MiB
    Hamiltonian: 15.09 MiB
      Arrays: 14.53 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.57 MiB
    Wavefunctions: 439.12 MiB
      Arrays psit_nG: 200.64 MiB
      Eigensolver: 224.68 MiB
      Projections: 2.11 MiB
      Projectors: 2.82 MiB
      PW-descriptor: 8.88 MiB

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

Number of atoms: 41
Number of atomic orbitals: 468
Number of bands in calculation: 374
Number of valence electrons: 616
Bands to converge: occupied

... initialized

Initializing position-dependent things.

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

      .-------------------.  
     /|                   |  
    / |                   |  
   /  |                   |  
  /   |                   |  
 *    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |         Pd        |  
 |    |Pd        Pd       |  
 |    |    Au        Au   |  
 |    |                   |  
 |   Pd     Pd Pd     Pd  |  
 |    PdPd      AuPd      |  
 |    |Au Pd     Pd Pd    |  
 | Pd |    AuPd      Pd   |  
 |   Pd     Pd Pd     Pd  |  
 |    |                   |  
 |    PdPd      PdAu      |  
 |    |Pd Au     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 Au     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 Pd     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 Pd     4.993657    6.016342   14.010895    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.988209    6.016342   16.016342    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.993657    4.010895   16.016342    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.988209    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993657    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.993657    4.010895   20.027237    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.999104    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.982762    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.999104    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.982762    0.000000   12.005447    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.999104    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982762    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.999104    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.982762    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.999104    0.000000   18.021790    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.982762    2.005447   18.021790    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.999104    4.010895   10.000000    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.982762    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.999104    6.016342   12.005447    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.982762    4.010895   12.005447    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.999104    4.010895   14.010895    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.982762    6.016342   14.010895    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.999104    6.016342   16.016342    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.982762    4.010895   16.016342    ( 0.0000,  0.0000,  0.0000)
  39 Au     6.999104    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982762    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 11:17:51  -152.015354
iter:   2 11:18:56  -143.059326  -1.30  -1.21
iter:   3 11:19:58  -150.990536  -1.54  -1.26
iter:   4 11:21:02  -148.263159  -1.26  -1.24
iter:   5 11:22:08  -136.735663  -0.64  -1.27
iter:   6 11:23:14  -127.345989  -1.34  -1.59
iter:   7 11:24:17  -120.421348  -1.72  -1.79
iter:   8 11:25:21  -119.374207  -2.44  -1.82
iter:   9 11:26:25  -123.769398  -1.92  -1.89
iter:  10 11:27:31  -117.847197  -2.30  -1.80
iter:  11 11:28:34  -117.847169  -2.65  -2.12
iter:  12 11:29:40  -117.680901c -3.00  -2.16
iter:  13 11:30:45  -117.523676  -3.20  -2.19
iter:  14 11:31:49  -117.362380  -2.97  -2.25
iter:  15 11:32:54  -117.364865c -3.27  -2.40
iter:  16 11:33:58  -117.386273c -3.72  -2.49
iter:  17 11:35:03  -117.409077c -3.92  -2.52
iter:  18 11:36:07  -117.308516c -3.55  -2.53
iter:  19 11:37:11  -117.299863c -3.96  -2.84
iter:  20 11:38:14  -117.299213c -4.51  -3.08
iter:  21 11:39:18  -117.298251c -5.00  -3.18
iter:  22 11:40:21  -117.298414c -4.74  -3.29
iter:  23 11:41:26  -117.298020c -5.31  -3.44
iter:  24 11:42:30  -117.296619c -5.41  -3.37
iter:  25 11:43:33  -117.296410c -6.21  -3.65
iter:  26 11:44:39  -117.296156c -5.80  -3.71
iter:  27 11:45:44  -117.296188c -6.17  -3.91
iter:  28 11:46:51  -117.296264c -6.36  -4.00c
iter:  29 11:47:58  -117.296826c -6.53  -4.12c
iter:  30 11:49:04  -117.296341c -6.97  -3.96
iter:  31 11:50:11  -117.296383c -7.37  -4.29c
iter:  32 11:51:17  -117.296414c -7.07  -4.36c
iter:  33 11:52:23  -117.296405c -7.68c -4.49c

Converged after 33 iterations.

Dipole moment: (-3.862614, -0.020776, 0.211213) |e|*Ang

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

Kinetic:       -185.648751
Potential:      +13.102576
External:        +0.000000
XC:             +59.475132
Entropy (-ST):   -2.285840
Local:           -3.082443
--------------------------
Free energy:   -118.439325
Extrapolated:  -117.296405

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.25351    1.31716
  0   307     -0.23233    1.21899
  0   308     -0.19588    1.04034
  0   309     -0.16540    0.88840

  1   306     -0.22569    1.18716
  1   307     -0.21210    1.12084
  1   308     -0.17771    0.94956
  1   309     -0.13711    0.75181


Fermi level: -0.18781

No gap

Forces in eV/Ang:
  0 Pd    0.08096   -0.19530    0.04448
  1 Pd    0.13354    0.00847    0.14367
  2 Au    0.21148   -0.18056   -0.11289
  3 Pd    0.00842   -0.13489   -0.19298
  4 Pd    0.14453    0.01401    0.15314
  5 Pd    0.12739   -0.09767   -0.03504
  6 Pd   -0.15938   -0.44344    0.07764
  7 Pd   -0.14052   -0.00492    0.29512
  8 Pd    0.02627    0.00159   -0.22184
  9 Pd    0.00115   -0.34313    0.20357
 10 Pd    0.08925    0.21553    0.03648
 11 Pd   -0.00615   -0.01043    0.24850
 12 Pd    0.12236    0.13086   -0.34396
 13 Pd    0.25641    0.13887   -0.25957
 14 Au    0.00509   -0.00685   -0.02082
 15 Pd   -0.00711    0.10483   -0.20636
 16 Pd   -0.04059    0.42735    0.18333
 17 Au    0.16831    0.00635   -0.21067
 18 Au   -0.26586    0.00022    0.76180
 19 Pd   -0.00235    0.32798    0.22529
 20 Pd    0.00658    0.00322   -0.93276
 21 Pd   -0.09432   -0.07885    0.15519
 22 Au   -0.17965    0.00708   -0.47637
 23 Pd   -0.15690    0.11139   -0.07988
 24 Pd   -0.00479   -0.17636   -0.21099
 25 Au   -0.17269    0.17806    0.01415
 26 Pd   -0.13400    0.01256    0.15009
 27 Pd    0.15697   -0.19284    0.05587
 28 Pd    0.12472    0.11156    0.28778
 29 Pd   -0.01587    0.00709   -0.21755
 30 Pd   -0.00130   -0.20320   -0.16411
 31 Pd   -0.08382    0.06930    0.17223
 32 Pd    0.00975   -0.01677    0.22029
 33 Pd   -0.12585   -0.09975   -0.32788
 34 Pd   -0.23390    0.17577   -0.20977
 35 Pd   -0.01444   -0.15302   -0.17155
 36 Au    0.00093   -0.00101   -0.00391
 37 Pd    0.03894    0.19853    0.16852
 38 Pd   -0.11730   -0.12043    0.19490
 39 Au    0.25071   -0.00294    0.74882
 40 Pd    0.00439    0.21180   -0.12593

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.996305   -0.019530   10.004448    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.007010    2.006294   10.014367    ( 0.0000,  0.0000,  0.0000)
   2 Au     3.009357    1.987391   11.994158    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.994499   -0.013489   11.986149    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.002663    0.001401   14.026209    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.006395    1.995680   14.007390    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.972271    1.961104   16.024106    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.979605   -0.000492   16.045854    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.990836    0.000159   17.999606    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993772    1.971135   18.042146    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.997134    4.032448   10.003648    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.993042    6.015299   10.024850    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.000445    6.029428   11.971051    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.019297    4.024782   11.979491    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.988718    4.010209   14.008813    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.992945    6.026825   13.990259    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.984151    6.059077   16.034675    ( 0.0000,  0.0000,  0.0000)
  17 Au     5.010488    4.011529   15.995275    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.961623    4.010917   18.097970    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993422    6.049140   18.044319    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.994315    4.011216   19.933961    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.989672   -0.007885   10.015519    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.964797    2.006156    9.952363    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.983414    2.016586   11.997460    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.982283   -0.017636   11.984348    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.981835    0.017806   14.012310    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.969361    2.006703   14.025904    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.014801    1.986163   16.021929    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.995233    0.011156   16.045120    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.997517    0.000709   18.000035    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.982632    1.985128   18.005379    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.990722    4.017825   10.017223    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.983737    6.014665   10.022029    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.986519    6.006367   11.972659    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.959372    4.028471   11.984471    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.997660    3.995592   13.993739    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.982855    6.016241   14.010504    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.002998    6.036195   16.033195    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.971031    3.998851   16.035833    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.024175    4.010601   18.096671    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.983200    6.037522   18.009196    ( 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 11:53:59  -124.238475  -1.38
iter:   2 11:55:05  -142.180356  -1.38  -1.82
iter:   3 11:56:11  -121.135125  -1.73  -1.57
iter:   4 11:57:15  -118.671304  -2.38  -1.99
iter:   5 11:58:20  -118.323639  -2.77  -2.18
iter:   6 11:59:23  -117.727200  -3.48  -2.22
iter:   7 12:00:26  -117.640122  -3.28  -2.57
iter:   8 12:01:30  -117.612989c -3.69  -2.71
iter:   9 12:02:34  -117.602891c -3.86  -2.86
iter:  10 12:03:38  -117.601679c -4.32  -3.00
iter:  11 12:04:41  -117.605540c -4.59  -3.09
iter:  12 12:05:46  -117.607894c -4.75  -3.06
iter:  13 12:06:49  -117.600045c -4.76  -3.10
iter:  14 12:07:55  -117.598416c -4.96  -3.26
iter:  15 12:08:58  -117.598282c -5.25  -3.44
iter:  16 12:10:02  -117.597901c -5.21  -3.59
iter:  17 12:11:06  -117.597629c -5.43  -3.72
iter:  18 12:12:11  -117.599046c -5.54  -3.78
iter:  19 12:13:16  -117.597388c -5.77  -3.45
iter:  20 12:14:23  -117.597219c -6.57  -3.92
iter:  21 12:15:29  -117.597136c -6.37  -4.02c
iter:  22 12:16:35  -117.597111c -6.43  -4.12c
iter:  23 12:17:40  -117.597145c -6.71  -4.25c
iter:  24 12:18:45  -117.597302c -6.64  -4.37c
iter:  25 12:19:49  -117.597149c -7.18  -4.37c
iter:  26 12:20:52  -117.597198c -7.41c -4.41c

Converged after 26 iterations.

Dipole moment: (-4.571156, 1.256607, 0.193581) |e|*Ang

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

Kinetic:       -191.767692
Potential:      +18.354031
External:        +0.000000
XC:             +60.050504
Entropy (-ST):   -2.294358
Local:           -3.086862
--------------------------
Free energy:   -118.744377
Extrapolated:  -117.597198

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.26866    1.33803
  0   307     -0.23231    1.16848
  0   308     -0.20119    1.01450
  0   309     -0.17335    0.87593

  1   306     -0.23878    1.19975
  1   307     -0.22399    1.12782
  1   308     -0.18617    0.93948
  1   309     -0.14973    0.76188


Fermi level: -0.19829

No gap

Forces in eV/Ang:
  0 Pd    0.01623   -0.04634   -0.09210
  1 Pd    0.07417   -0.00149   -0.00042
  2 Au   -0.11331    0.02386   -0.06438
  3 Pd    0.04106   -0.03561   -0.03788
  4 Pd    0.01727   -0.00256   -0.05088
  5 Pd   -0.03298   -0.00195   -0.00061
  6 Pd    0.05291    0.09944    0.06231
  7 Pd    0.03483   -0.00196    0.07327
  8 Pd    0.01412    0.00754    0.10134
  9 Pd    0.00338   -0.11042    0.00671
 10 Pd    0.01438    0.03945    0.03413
 11 Pd    0.00750    0.00596   -0.03735
 12 Pd   -0.00440   -0.00958    0.01833
 13 Pd   -0.03751    0.01242   -0.00992
 14 Au   -0.02345   -0.01551   -0.03496
 15 Pd    0.01059    0.02679   -0.06609
 16 Pd    0.03129   -0.09690    0.09460
 17 Au   -0.00527    0.00532    0.24567
 18 Au   -0.18682   -0.00929    0.13103
 19 Pd   -0.00037    0.11021    0.05429
 20 Pd    0.00684    0.00046   -0.39896
 21 Pd   -0.04234   -0.02018    0.03200
 22 Au   -0.03149    0.00505   -0.20806
 23 Pd    0.05918   -0.03788   -0.07336
 24 Pd   -0.02969    0.04934   -0.03592
 25 Au    0.02342   -0.07103   -0.04987
 26 Pd    0.02453   -0.00806   -0.09800
 27 Pd   -0.03754    0.04644    0.14465
 28 Pd   -0.05471   -0.03930   -0.05296
 29 Pd   -0.01107    0.01200   -0.01806
 30 Pd   -0.00640   -0.10362    0.01890
 31 Pd   -0.02514    0.01357   -0.06909
 32 Pd   -0.00543   -0.00796    0.01553
 33 Pd    0.00818    0.06477    0.01960
 34 Pd    0.04982   -0.07248   -0.07518
 35 Pd    0.03585    0.01675   -0.03730
 36 Au   -0.04625    0.04390    0.01068
 37 Pd   -0.01038   -0.01354    0.05690
 38 Pd    0.00184    0.02095    0.16308
 39 Au    0.19143   -0.00900    0.23541
 40 Pd   -0.00369    0.11080   -0.01994

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.999434   -0.027923    9.994273    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.017752    2.006247   10.016478    ( 0.0000,  0.0000,  0.0000)
   2 Au     2.999196    1.987485   11.984881    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.999460   -0.019711   11.978787    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.006869    0.001310   14.022521    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.004428    1.993982   14.006791    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.976104    1.966145   16.032610    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.981592   -0.000796   16.058919    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.992894    0.001071   18.008202    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.994187    1.952973   18.045997    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.000170    4.040334   10.008215    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.993832    6.015844   10.024190    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.001767    6.030268   11.968037    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.018736    4.028334   11.974420    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.986034    4.008280   14.004383    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.994085    6.031556   13.979374    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.987224    6.054094   16.048571    ( 0.0000,  0.0000,  0.0000)
  17 Au     5.012398    4.012251   16.021034    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.935628    4.009826   18.124854    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993343    6.067049   18.054099    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.995219    4.011319   19.872958    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.983268   -0.011446   10.021621    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.958387    2.006857    9.920702    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.988023    2.013801   11.987621    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.978715   -0.014479   11.976946    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.981996    0.012120   14.006650    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.970235    2.005943   14.016622    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.012742    1.988732   16.039802    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.990667    0.008207   16.043212    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.995974    0.002228   17.994637    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.981859    1.969871   18.005136    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.986502    4.020465   10.011678    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.983245    6.013476   10.027170    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.985590    6.012494   11.970036    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.961720    4.022581   11.972464    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.001664    3.995263   13.986768    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.977423    6.021395   14.011703    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.002361    6.037587   16.042429    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.969484    3.999507   16.057966    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.050485    4.009497   18.135650    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982832    6.053754   18.004955    ( 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 12:24:49  -119.582850  -2.09
iter:   2 12:26:03  -126.649521  -1.88  -2.07
iter:   3 12:27:07  -119.784956  -2.15  -1.81
iter:   4 12:28:10  -117.943911  -2.95  -2.10
iter:   5 12:29:14  -117.691805  -3.41  -2.52
iter:   6 12:30:15  -117.672363c -4.22  -2.87
iter:   7 12:31:21  -117.668143c -4.18  -3.07
iter:   8 12:32:19  -117.661897c -4.42  -3.18
iter:   9 12:33:23  -117.662023c -5.05  -3.38
iter:  10 12:34:31  -117.663481c -5.45  -3.39
iter:  11 12:35:36  -117.661066c -5.53  -3.36
iter:  12 12:36:41  -117.661393c -5.31  -3.58
iter:  13 12:37:49  -117.661294c -5.59  -3.75
iter:  14 12:38:53  -117.661207c -6.17  -3.91
iter:  15 12:39:59  -117.660827c -5.92  -3.94
iter:  16 12:41:07  -117.660850c -6.10  -4.14c
iter:  17 12:42:14  -117.660759c -6.47  -3.86
iter:  18 12:43:20  -117.660669c -6.92  -4.21c
iter:  19 12:44:29  -117.660690c -7.02  -4.40c
iter:  20 12:45:34  -117.660704c -7.30  -4.54c
iter:  21 12:46:42  -117.660733c -7.22  -4.64c
iter:  22 12:47:47  -117.660743c -7.57c -4.72c

Converged after 22 iterations.

Dipole moment: (-4.536336, 2.247285, 0.179431) |e|*Ang

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

Kinetic:       -193.898244
Potential:      +20.018472
External:        +0.000000
XC:             +60.436005
Entropy (-ST):   -2.290364
Local:           -3.071795
--------------------------
Free energy:   -118.805925
Extrapolated:  -117.660743

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.28000    1.34909
  0   307     -0.23968    1.16137
  0   308     -0.20674    0.99810
  0   309     -0.18088    0.86954

  1   306     -0.24984    1.21039
  1   307     -0.23384    1.13281
  1   308     -0.19482    0.93855
  1   309     -0.15930    0.76533


Fermi level: -0.20712

No gap

Forces in eV/Ang:
  0 Pd   -0.00051    0.00222   -0.06228
  1 Pd    0.00997   -0.00207   -0.00650
  2 Au   -0.03521   -0.01896   -0.08981
  3 Pd   -0.03890    0.05617   -0.00500
  4 Pd   -0.00151   -0.00264   -0.01019
  5 Pd   -0.00202    0.03210    0.01383
  6 Pd    0.02085    0.07679    0.01735
  7 Pd    0.00704   -0.01105   -0.05708
  8 Pd   -0.02191    0.01115    0.08553
  9 Pd   -0.00660   -0.04272   -0.00768
 10 Pd    0.00699   -0.00270   -0.01130
 11 Pd    0.00854   -0.00373   -0.07694
 12 Pd   -0.04363    0.00445    0.05557
 13 Pd   -0.02448   -0.03705    0.03000
 14 Au    0.00537    0.02356    0.05301
 15 Pd   -0.01481   -0.05791    0.06116
 16 Pd    0.03267   -0.08799    0.00046
 17 Au    0.00149    0.02615    0.14561
 18 Au   -0.17892   -0.00878   -0.00286
 19 Pd    0.00786    0.05248    0.00454
 20 Pd   -0.02175   -0.00673   -0.05604
 21 Pd   -0.00384   -0.01165   -0.04418
 22 Au    0.00105   -0.01000   -0.14026
 23 Pd    0.04269   -0.00764   -0.02600
 24 Pd    0.02035    0.04862   -0.04479
 25 Au   -0.00401    0.03824    0.02840
 26 Pd   -0.00301   -0.00247    0.00453
 27 Pd   -0.02538    0.06441    0.00199
 28 Pd    0.01569    0.01161   -0.09171
 29 Pd    0.01403   -0.00145    0.06228
 30 Pd    0.01116   -0.10324    0.05257
 31 Pd   -0.00754    0.02012   -0.06125
 32 Pd   -0.01162    0.00108   -0.01697
 33 Pd    0.04503   -0.02023    0.01953
 34 Pd    0.01624   -0.03362   -0.03065
 35 Pd   -0.01038   -0.00029    0.04015
 36 Au    0.03422   -0.03990    0.01159
 37 Pd   -0.04539   -0.08096    0.01770
 38 Pd    0.00350    0.01403    0.02546
 39 Au    0.20755    0.01049    0.03500
 40 Pd   -0.00536    0.09944    0.04104

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.001274   -0.032553    9.981558    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.024572    2.005997   10.017563    ( 0.0000,  0.0000,  0.0000)
   2 Au     2.991800    1.983274   11.967222    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.995853   -0.015145   11.973538    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.009518    0.001006   14.020845    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.004408    1.997159   14.008270    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.979334    1.975622   16.039150    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.982240   -0.002562   16.058266    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.990749    0.003066   18.022197    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993403    1.936713   18.048098    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.003130    4.044861   10.008691    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.995336    6.015433   10.014816    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.996971    6.032331   11.972058    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.017083    4.025515   11.974611    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.985789    4.010878   14.010146    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.992329    6.025897   13.982219    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.992852    6.042879   16.055677    ( 0.0000,  0.0000,  0.0000)
  17 Au     5.014767    4.016388   16.050662    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.897121    4.008121   18.141430    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.994433    6.084501   18.060510    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.992474    4.010409   19.832860    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.979385   -0.015205   10.018915    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.954505    2.005743    9.883814    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.994752    2.012508   11.979277    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.980213   -0.007626   11.965755    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.980047    0.016888   14.008643    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.969035    2.005385   14.014836    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.009539    1.997506   16.047654    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.992164    0.009644   16.031522    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.997267    0.002680   17.999732    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.983161    1.947138   18.011313    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.983036    4.025008   10.002010    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.981443    6.013022   10.028573    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.990715    6.011165   11.969113    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.963074    4.016815   11.961506    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.001628    3.993823   13.988406    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.980241    6.017642   14.013830    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.995840    6.028030   16.050063    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.968406    4.000807   16.072070    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.093149    4.010557   18.162420    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.981945    6.076394   18.008185    ( 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 12:49:21  -119.003301  -2.26
iter:   2 12:50:09  -131.346937  -1.87  -2.15
iter:   3 12:50:58  -118.549015  -2.26  -1.70
iter:   4 12:51:45  -117.799811  -2.93  -2.32
iter:   5 12:52:32  -117.730767  -3.58  -2.71
iter:   6 12:53:32  -117.718858c -4.36  -2.86
iter:   7 12:54:46  -117.705612c -4.59  -3.00
iter:   8 12:56:00  -117.699321c -4.44  -3.19
iter:   9 12:57:14  -117.698753c -5.09  -3.43
iter:  10 12:58:25  -117.698838c -5.58  -3.53
iter:  11 12:59:26  -117.699190c -5.55  -3.62
iter:  12 13:00:28  -117.699251c -5.20  -3.53
iter:  13 13:01:29  -117.698839c -5.97  -3.74
iter:  14 13:02:32  -117.698619c -6.30  -3.90
iter:  15 13:03:34  -117.698167c -6.06  -3.95
iter:  16 13:04:33  -117.698083c -6.58  -4.30c
iter:  17 13:05:37  -117.698179c -7.09  -4.38c
iter:  18 13:06:39  -117.698098c -7.14  -4.30c
iter:  19 13:07:38  -117.698154c -7.33  -4.48c
iter:  20 13:08:41  -117.698194c -7.36  -4.57c
iter:  21 13:09:45  -117.698226c -7.52c -4.64c

Converged after 21 iterations.

Dipole moment: (-4.058867, 1.799333, 0.166572) |e|*Ang

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

Kinetic:       -197.287360
Potential:      +22.761877
External:        +0.000000
XC:             +61.047230
Entropy (-ST):   -2.282323
Local:           -3.078812
--------------------------
Free energy:   -118.839388
Extrapolated:  -117.698226

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.29316    1.36421
  0   307     -0.25072    1.16790
  0   308     -0.21421    0.98696
  0   309     -0.18960    0.86476

  1   306     -0.26223    1.22328
  1   307     -0.24533    1.14160
  1   308     -0.20502    0.94109
  1   309     -0.16882    0.76455


Fermi level: -0.21681

No gap

Forces in eV/Ang:
  0 Pd   -0.00685   -0.00122   -0.04556
  1 Pd   -0.00975    0.00776   -0.03178
  2 Au   -0.01657    0.02558   -0.00128
  3 Pd   -0.01133    0.00106    0.03465
  4 Pd   -0.00811    0.02097    0.00410
  5 Pd   -0.02820    0.05698    0.00959
  6 Pd    0.00926    0.01574   -0.00328
  7 Pd   -0.01947    0.00087   -0.06428
  8 Pd   -0.01533   -0.00416    0.00910
  9 Pd    0.00154    0.03127   -0.01262
 10 Pd    0.00060   -0.00929   -0.02649
 11 Pd   -0.00425   -0.00542   -0.01584
 12 Pd    0.00121    0.00302    0.01474
 13 Pd   -0.01153   -0.01706    0.03073
 14 Au    0.01959   -0.05337    0.01940
 15 Pd    0.01916   -0.03049    0.04092
 16 Pd   -0.00154    0.00053    0.00951
 17 Au   -0.00676   -0.01872    0.10410
 18 Au   -0.06481    0.00109   -0.02341
 19 Pd    0.00030   -0.01484   -0.00184
 20 Pd   -0.01839   -0.00854    0.04954
 21 Pd    0.01082   -0.00704   -0.04709
 22 Au    0.00369   -0.00130   -0.06289
 23 Pd    0.03273    0.01141   -0.00806
 24 Pd   -0.00096    0.01675   -0.00089
 25 Au    0.00186   -0.01649    0.00438
 26 Pd    0.02602    0.02539    0.01359
 27 Pd   -0.00599    0.02859   -0.00905
 28 Pd    0.02640   -0.00100   -0.04824
 29 Pd    0.01718   -0.00013    0.03001
 30 Pd    0.00271   -0.08986    0.03818
 31 Pd    0.00268    0.00346   -0.03178
 32 Pd    0.00149    0.00420   -0.03744
 33 Pd   -0.00424   -0.00683    0.04561
 34 Pd    0.00656   -0.03666    0.01006
 35 Pd   -0.01841   -0.00233    0.04322
 36 Au   -0.01641   -0.00828    0.00231
 37 Pd    0.00903   -0.01788   -0.01449
 38 Pd    0.00035   -0.00085   -0.05852
 39 Au    0.07748    0.00167   -0.01064
 40 Pd    0.00550    0.09673    0.03435

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.001394   -0.035473    9.970749    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.026678    2.007029   10.014043    ( 0.0000,  0.0000,  0.0000)
   2 Au     2.986804    1.985323   11.961037    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.994010   -0.014959   11.975592    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.009966    0.003870   14.020887    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.000536    2.005450   14.009822    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.981556    1.979807   16.041660    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.979606   -0.002945   16.051558    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.988394    0.003120   18.027620    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993472    1.933709   18.047877    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.004585    4.046276   10.005802    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.995217    6.014617   10.010729    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.996378    6.033711   11.973909    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.015611    4.023216   11.977647    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.988121    4.003850   14.013704    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.994674    6.021066   13.986738    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.994379    6.040481   16.061067    ( 0.0000,  0.0000,  0.0000)
  17 Au     5.015095    4.014953   16.075564    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.874209    4.007695   18.147762    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.994738    6.090028   18.063713    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.989342    4.009007   19.819309    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.978838   -0.017803   10.012832    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.952755    2.005383    9.860336    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.001244    2.013680   11.974548    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.979992   -0.003562   11.961286    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.979403    0.015521   14.009069    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.972133    2.008709   14.015442    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.008003    2.003597   16.050849    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.995942    0.009768   16.022267    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.999752    0.002992   18.003989    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.983770    1.926325   18.017780    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.981769    4.027167    9.994812    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.981149    6.013295   10.024923    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.991012    6.010418   11.974083    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.964063    4.009904   11.958031    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.999535    3.992711   13.993524    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.977982    6.016187   14.014842    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.995437    6.023754   16.051609    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.967689    4.000811   16.070875    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.118895    4.010913   18.174675    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982445    6.098286   18.012941    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 13:11:18  -118.222204  -2.72
iter:   2 13:12:18  -127.375849  -2.14  -2.34
iter:   3 13:13:23  -118.154923  -2.59  -1.78
iter:   4 13:14:26  -117.726033  -3.26  -2.48
iter:   5 13:15:27  -117.720284  -4.05  -3.12
iter:   6 13:16:32  -117.717537c -4.75  -3.14
iter:   7 13:17:35  -117.713778c -5.22  -3.32
iter:   8 13:18:37  -117.712531c -4.98  -3.46
iter:   9 13:19:42  -117.712401c -5.62  -3.69
iter:  10 13:20:44  -117.712345c -5.91  -3.73
iter:  11 13:21:47  -117.712342c -5.79  -3.89
iter:  12 13:22:52  -117.712180c -6.38  -4.06c
iter:  13 13:23:55  -117.712257c -6.65  -4.23c
iter:  14 13:24:58  -117.712041c -6.82  -4.03c
iter:  15 13:26:03  -117.712003c -6.89  -4.38c
iter:  16 13:27:04  -117.711957c -7.14  -4.47c
iter:  17 13:28:07  -117.711969c -7.70c -4.68c

Converged after 17 iterations.

Dipole moment: (-3.660903, 1.780670, 0.161060) |e|*Ang

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

Kinetic:       -199.977887
Potential:      +24.991725
External:        +0.000000
XC:             +61.496200
Entropy (-ST):   -2.276671
Local:           -3.083671
--------------------------
Free energy:   -118.850304
Extrapolated:  -117.711969

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.30182    1.37737
  0   307     -0.25748    1.17350
  0   308     -0.21966    0.98618
  0   309     -0.19507    0.86405

  1   306     -0.26920    1.22969
  1   307     -0.25255    1.14947
  1   308     -0.21135    0.94467
  1   309     -0.17432    0.76400


Fermi level: -0.22243

No gap

Forces in eV/Ang:
  0 Pd   -0.00053    0.00800   -0.01085
  1 Pd   -0.01670    0.00025   -0.01326
  2 Au    0.01045   -0.01074   -0.02231
  3 Pd   -0.00248    0.01673    0.01008
  4 Pd   -0.00987    0.00384   -0.01016
  5 Pd    0.02093    0.00761    0.00212
  6 Pd   -0.01133   -0.01346    0.02014
  7 Pd    0.00404    0.00872   -0.01275
  8 Pd    0.02424    0.00377   -0.00439
  9 Pd    0.00363    0.01318    0.00462
 10 Pd    0.00006   -0.00456   -0.02569
 11 Pd    0.00134   -0.00527    0.00778
 12 Pd   -0.00568   -0.01000    0.01077
 13 Pd    0.00650   -0.00319   -0.00254
 14 Au    0.01204    0.02928    0.01938
 15 Pd   -0.01096   -0.03535    0.04107
 16 Pd   -0.01393   -0.00039   -0.01596
 17 Au   -0.01337    0.00413    0.04051
 18 Au   -0.01929    0.00427   -0.00814
 19 Pd    0.00794   -0.01446    0.00225
 20 Pd   -0.00465   -0.00560    0.04612
 21 Pd    0.00081   -0.01076   -0.02123
 22 Au    0.01102   -0.00198   -0.01264
 23 Pd   -0.00299   -0.00275    0.00002
 24 Pd   -0.00074   -0.00372   -0.00164
 25 Au   -0.00290    0.03526    0.00142
 26 Pd   -0.01090   -0.00566    0.01433
 27 Pd    0.01419   -0.02572   -0.01110
 28 Pd   -0.00025    0.01074   -0.02893
 29 Pd   -0.01934    0.00122   -0.00334
 30 Pd    0.00101   -0.03887    0.01713
 31 Pd    0.00028    0.01095   -0.00529
 32 Pd   -0.00237   -0.00338   -0.01425
 33 Pd   -0.00165   -0.01443   -0.00068
 34 Pd   -0.00438    0.01429    0.00604
 35 Pd   -0.01883   -0.00751    0.02725
 36 Au    0.02662   -0.02176   -0.02245
 37 Pd    0.01430    0.01139    0.01061
 38 Pd    0.00795    0.00213   -0.02629
 39 Au    0.01249    0.00672    0.00090
 40 Pd   -0.00028    0.04248    0.02472

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.001532   -0.035721    9.965747    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.025780    2.007333   10.011474    ( 0.0000,  0.0000,  0.0000)
   2 Au     2.986002    1.984612   11.955978    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.993542   -0.013154   11.977030    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.009046    0.005125   14.019283    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.001958    2.008588   14.010484    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.981043    1.979754   16.045439    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.979607   -0.001952   16.048878    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.990978    0.003671   18.029188    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993983    1.933526   18.048571    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.005147    4.046510   10.002042    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.995408    6.013768   10.010477    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.995542    6.032802   11.975724    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.015887    4.022374   11.977917    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.990102    4.005537   14.016828    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.994000    6.015544   13.992535    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.993233    6.039270   16.061348    ( 0.0000,  0.0000,  0.0000)
  17 Au     5.013527    4.015126   16.089272    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.863972    4.008053   18.149897    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.995825    6.090720   18.065421    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.987966    4.007921   19.817850    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.978406   -0.020078   10.008832    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.953337    2.005081    9.850497    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.002996    2.013409   11.972650    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.979590   -0.002653   11.959482    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.978954    0.019156   14.008964    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.971709    2.008833   14.016728    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.009189    2.002215   16.051485    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.996559    0.010912   16.015836    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.997860    0.003332   18.004434    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.984007    1.914830   18.021759    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.981218    4.029285    9.991750    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.980734    6.012867   10.022366    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.990863    6.008849   11.975319    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.964040    4.009378   11.957157    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.996850    3.991504   13.997979    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.980380    6.013385   14.012335    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.997105    6.024075   16.053917    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.968459    4.001180   16.068597    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.129052    4.011787   18.180379    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982520    6.110597   18.017138    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 13:29:42  -117.796922  -3.29
iter:   2 13:30:45  -119.552893  -2.98  -2.74
iter:   3 13:31:46  -117.742765  -3.31  -2.09
iter:   4 13:32:51  -117.717280  -4.26  -3.04
iter:   5 13:33:55  -117.717188c -5.09  -3.51
iter:   6 13:34:57  -117.716069c -5.36  -3.50
iter:   7 13:36:01  -117.715897c -5.61  -3.78
iter:   8 13:37:07  -117.715766c -6.02  -3.87
iter:   9 13:38:08  -117.715689c -6.30  -4.02c
iter:  10 13:39:10  -117.715939c -6.40  -4.14c
iter:  11 13:40:15  -117.715675c -6.63  -3.98
iter:  12 13:41:16  -117.715657c -6.92  -4.37c
iter:  13 13:42:20  -117.715648c -7.43c -4.51c

Converged after 13 iterations.

Dipole moment: (-3.490057, 1.405096, 0.161686) |e|*Ang

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

Kinetic:       -201.521734
Potential:      +26.298992
External:        +0.000000
XC:             +61.737738
Entropy (-ST):   -2.274224
Local:           -3.093532
--------------------------
Free energy:   -118.852761
Extrapolated:  -117.715648

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.30571    1.38483
  0   307     -0.26056    1.17806
  0   308     -0.22186    0.98650
  0   309     -0.19723    0.86415

  1   306     -0.27170    1.23139
  1   307     -0.25539    1.15293
  1   308     -0.21408    0.94764
  1   309     -0.17628    0.76317


Fermi level: -0.22456

No gap

Forces in eV/Ang:
  0 Pd   -0.00130   -0.00380    0.00459
  1 Pd    0.00209   -0.00354   -0.01296
  2 Au    0.00057    0.00670    0.00827
  3 Pd    0.00279   -0.01153    0.00038
  4 Pd    0.01024    0.00359   -0.00986
  5 Pd   -0.00898    0.00870    0.00570
  6 Pd   -0.00484   -0.00751   -0.00623
  7 Pd   -0.00609   -0.00259   -0.00675
  8 Pd    0.02825   -0.00594   -0.01245
  9 Pd    0.00481    0.01756    0.01311
 10 Pd   -0.00744    0.00128   -0.01718
 11 Pd   -0.00501    0.00391    0.01477
 12 Pd    0.01396    0.00123   -0.01879
 13 Pd    0.00496    0.00024   -0.00516
 14 Au    0.01481   -0.01797   -0.00132
 15 Pd    0.00928    0.00730    0.00918
 16 Pd   -0.01018    0.01999   -0.00084
 17 Au    0.00468   -0.00439    0.00193
 18 Au    0.00909    0.00817    0.00774
 19 Pd   -0.00102   -0.01874    0.00296
 20 Pd   -0.00590   -0.00239    0.01585
 21 Pd    0.00263    0.00257   -0.00178
 22 Au   -0.00422    0.00099    0.01037
 23 Pd   -0.00085    0.00790   -0.02262
 24 Pd   -0.00418   -0.00571   -0.01322
 25 Au   -0.00569   -0.01856   -0.01455
 26 Pd    0.01223    0.01467   -0.01420
 27 Pd    0.00435    0.00558    0.00409
 28 Pd    0.00475   -0.01005   -0.00368
 29 Pd   -0.02327    0.00096   -0.00525
 30 Pd   -0.00303    0.00502    0.00275
 31 Pd    0.00941   -0.00775    0.00452
 32 Pd    0.00226   -0.00149   -0.00429
 33 Pd   -0.00920    0.00139    0.00201
 34 Pd   -0.00609   -0.00365   -0.00562
 35 Pd   -0.00942    0.00273    0.01198
 36 Au   -0.01316    0.00464   -0.01359
 37 Pd    0.01206    0.00364   -0.00981
 38 Pd   -0.00817   -0.00238    0.00527
 39 Au   -0.01131    0.00114   -0.00902
 40 Pd    0.00505    0.00364    0.00621

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    21.700    21.700   0.2% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                    116.624   116.624   1.3% ||
Hamiltonian:                                16.458     0.055   0.0% |
 Atomic:                                     4.032     3.041   0.0% |
  XC Correction:                             0.991     0.991   0.0% |
 Calculate atomic Hamiltonians:              8.594     8.594   0.1% |
 Communicate:                                0.002     0.002   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.048     0.048   0.0% |
 XC 3D grid:                                 3.727     3.727   0.0% |
LCAO initialization:                        89.497     0.441   0.0% |
 LCAO eigensolver:                           7.358     0.002   0.0% |
  Calculate projections:                     0.065     0.065   0.0% |
  DenseAtomicCorrection:                     0.054     0.054   0.0% |
  Distribute overlap matrix:                 0.009     0.009   0.0% |
  Orbital Layouts:                           0.363     0.363   0.0% |
  Potential matrix:                          6.816     6.816   0.1% |
  Sum over cells:                            0.049     0.049   0.0% |
 LCAO to grid:                              79.855    79.855   0.9% |
 Set positions (LCAO WFS):                   1.842     0.385   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     1.017     1.017   0.0% |
  ST tci:                                    0.342     0.342   0.0% |
  mktci:                                     0.096     0.096   0.0% |
PWDescriptor:                                0.554     0.554   0.0% |
Redistribute:                                0.037     0.037   0.0% |
SCF-cycle:                                8569.564   473.603   5.3% |-|
 Davidson:                                7077.031  1541.527  17.4% |------|
  Apply H:                                 593.408   579.755   6.5% |--|
   HMM T:                                   13.653    13.653   0.2% |
  Subspace diag:                          1181.616     0.041   0.0% |
   calc_h_matrix:                          830.463   219.576   2.5% ||
    Apply H:                               610.887   596.223   6.7% |--|
     HMM T:                                 14.663    14.663   0.2% |
   diagonalize:                             20.560    20.560   0.2% |
   rotate_psi:                             330.552   330.552   3.7% ||
  calc. matrices:                         2562.035  1376.864  15.5% |-----|
   Apply H:                               1185.171  1157.103  13.0% |----|
    HMM T:                                  28.068    28.068   0.3% |
  diagonalize:                             528.716   528.716   6.0% |-|
  rotate_psi:                              669.729   669.729   7.6% |--|
 Density:                                  571.321     0.008   0.0% |
  Atomic density matrices:                   1.750     1.750   0.0% |
  Mix:                                     221.618   221.618   2.5% ||
  Multipole moments:                         0.131     0.131   0.0% |
  Pseudo density:                          347.813   347.806   3.9% |-|
   Symmetrize density:                       0.007     0.007   0.0% |
 Hamiltonian:                              360.569     1.647   0.0% |
  Atomic:                                   91.073    69.012   0.8% |
   XC Correction:                           22.060    22.060   0.2% |
  Calculate atomic Hamiltonians:           185.010   185.010   2.1% ||
  Communicate:                               0.387     0.387   0.0% |
  Poisson:                                   1.333     1.333   0.0% |
  XC 3D grid:                               81.120    81.120   0.9% |
 Orthonormalize:                            87.040     0.004   0.0% |
  calc_s_matrix:                             4.980     4.980   0.1% |
  inverse-cholesky:                         58.900    58.900   0.7% |
  projections:                              15.568    15.568   0.2% |
  rotate_psi_s:                              7.589     7.589   0.1% |
Set symmetry:                                0.003     0.003   0.0% |
Other:                                      54.855    54.855   0.6% |
-------------------------------------------------------------------
Total:                                              8869.292 100.0%

Memory usage: 1.00 GiB
Date: Mon Mar 27 13:42:38 2023
