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

User:   lacmarco@node502.cluster
Date:   Mon Mar 27 11:13:57 2023
Arch:   x86_64
Pid:    32133
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 ...

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

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

Reference energy: -8282309.293808

Spin-paired calculation

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

Symmetries present (total): 1

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

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

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

Occupation numbers: Fermi-Dirac: width=0.1000 eV
 

Eigensolver
   Davidson(niter=2) 

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

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

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

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 181.64 MiB
  Calculator: 511.83 MiB
    Density: 54.04 MiB
      Arrays: 22.22 MiB
      Localized functions: 23.28 MiB
      Mixer: 8.54 MiB
    Hamiltonian: 15.09 MiB
      Arrays: 14.53 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.57 MiB
    Wavefunctions: 442.70 MiB
      Arrays psit_nG: 202.25 MiB
      Eigensolver: 226.63 MiB
      Projections: 2.12 MiB
      Projectors: 2.82 MiB
      PW-descriptor: 8.88 MiB

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

Number of atoms: 41
Number of atomic orbitals: 471
Number of bands in calculation: 377
Number of valence electrons: 621
Bands to converge: occupied

... initialized

Initializing position-dependent things.

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

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

Positions:
   0 Au     2.988209    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993657    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.988209    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.993657    0.000000   12.005447    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.988209    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.993657    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
   6 Au     2.988209    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.993657    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.988209    0.000000   18.021790    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993657    2.005447   18.021790    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.988209    4.010895   10.000000    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.993657    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.988209    6.016342   12.005447    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.993657    4.010895   12.005447    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.988209    4.010895   14.010895    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993657    6.016342   14.010895    ( 0.0000,  0.0000,  0.0000)
  16 Au     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 Au     4.993657    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.993657    4.010895   20.027237    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.999104    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982762    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.999104    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
  24 Au     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 Pd     0.982762    6.016342   14.010895    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.999104    6.016342   16.016342    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.982762    4.010895   16.016342    ( 0.0000,  0.0000,  0.0000)
  39 Pd     6.999104    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982762    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 11:16:33  -153.461868
iter:   2 11:17:32  -144.472610  -1.27  -1.20
iter:   3 11:18:30  -143.879849  -1.59  -1.26
iter:   4 11:19:32  -184.143105  -0.90  -1.27
iter:   5 11:20:34  -147.086423  -0.70  -1.20
iter:   6 11:21:36  -130.599556  -1.34  -1.55
iter:   7 11:22:37  -121.705477  -1.50  -1.77
iter:   8 11:23:37  -121.264120  -2.47  -1.80
iter:   9 11:24:37  -120.420043  -2.22  -1.86
iter:  10 11:25:38  -118.666151  -2.31  -1.92
iter:  11 11:26:37  -118.439551  -2.61  -2.09
iter:  12 11:27:39  -118.276011  -2.86  -2.16
iter:  13 11:28:38  -118.207553c -3.39  -2.21
iter:  14 11:29:39  -118.265033c -3.10  -2.27
iter:  15 11:30:37  -118.318402c -3.14  -2.28
iter:  16 11:31:36  -118.076105c -3.38  -2.32
iter:  17 11:32:34  -118.056197c -3.94  -2.55
iter:  18 11:33:32  -118.042283c -3.55  -2.66
iter:  19 11:34:31  -118.045497c -4.06  -2.84
iter:  20 11:35:31  -118.031216c -4.24  -2.83
iter:  21 11:36:31  -118.026521c -4.44  -3.02
iter:  22 11:37:31  -118.026195c -4.83  -3.16
iter:  23 11:38:30  -118.025864c -4.73  -3.24
iter:  24 11:39:29  -118.023715c -5.13  -3.32
iter:  25 11:40:28  -118.024055c -5.26  -3.52
iter:  26 11:41:28  -118.023503c -6.18  -3.58
iter:  27 11:42:27  -118.023215c -5.67  -3.74
iter:  28 11:43:26  -118.023078c -6.19  -3.95
iter:  29 11:44:25  -118.022895c -6.38  -4.10c
iter:  30 11:45:23  -118.022936c -6.78  -4.25c
iter:  31 11:46:22  -118.022910c -7.25  -4.34c
iter:  32 11:47:22  -118.022938c -7.61c -4.45c

Converged after 32 iterations.

Dipole moment: (-3.817101, 0.024993, 0.239132) |e|*Ang

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

Kinetic:       -191.650857
Potential:      +13.875947
External:        +0.000000
XC:             +64.222287
Entropy (-ST):   -2.380655
Local:           -3.279988
--------------------------
Free energy:   -119.213265
Extrapolated:  -118.022938

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   308     -0.31975    1.49324
  0   309     -0.26921    1.27998
  0   310     -0.25327    1.20502
  0   311     -0.22437    1.06334

  1   308     -0.22171    1.05011
  1   309     -0.21523    1.01774
  1   310     -0.20435    0.96338
  1   311     -0.19580    0.92075


Fermi level: -0.21168

No gap

Forces in eV/Ang:
  0 Au    0.18455   -0.00183   -0.46496
  1 Pd    0.18188    0.00001    0.14210
  2 Pd    0.10493    0.12046    0.15383
  3 Pd    0.03635    0.00325   -0.05020
  4 Pd    0.13831    0.00099   -0.11061
  5 Pd   -0.01932    0.14420   -0.13637
  6 Au   -0.03361   -0.03672    0.09224
  7 Pd    0.14016    0.13813    0.17681
  8 Pd   -0.08786    0.11824    0.06785
  9 Pd    0.11549    0.04018    0.19426
 10 Au   -0.00485    0.00025   -0.27235
 11 Pd    0.18334    0.00604    0.14721
 12 Pd    0.10378   -0.12202    0.15414
 13 Pd    0.17614   -0.00510    0.03675
 14 Pd    0.02660    0.00065   -0.25969
 15 Pd   -0.01841   -0.16453   -0.14838
 16 Au   -0.22708    0.03792   -0.09231
 17 Pd    0.26778   -0.17280   -0.13967
 18 Pd   -0.07262   -0.12547    0.33123
 19 Au    0.16053    0.08731    0.74601
 20 Pd    0.01093   -0.06373   -1.03966
 21 Pd   -0.13884   -0.00339    0.08320
 22 Pd   -0.16213    0.13196    0.01576
 23 Pd   -0.12009    0.24398   -0.18028
 24 Au   -0.05357   -0.00051   -0.12031
 25 Au   -0.17783   -0.00157    0.16360
 26 Pd    0.00727    0.28366    0.05074
 27 Pd    0.04265    0.08395    0.16270
 28 Pd   -0.13793    0.00304    0.19914
 29 Pd    0.10045    0.12055   -0.16873
 30 Pd   -0.11468    0.01555   -0.12077
 31 Pd   -0.00618    0.00181    0.23688
 32 Pd   -0.16247   -0.13196    0.01418
 33 Pd   -0.12076   -0.24548   -0.17980
 34 Pd   -0.17392   -0.00021    0.09168
 35 Pd   -0.03109    0.00245   -0.02129
 36 Pd    0.01627   -0.27889    0.02416
 37 Pd    0.17867   -0.08549    0.04769
 38 Pd   -0.26211    0.00358    0.17236
 39 Pd    0.07846   -0.12629    0.09336
 40 Pd   -0.11674   -0.02384   -0.11773

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     3.006665   -0.000183    9.953504    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.011845    2.005448   10.014210    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.998702    2.017493   12.020830    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.997292    0.000325   12.000428    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.002041    0.000099   13.999833    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.991725    2.019868   13.997257    ( 0.0000,  0.0000,  0.0000)
   6 Au     2.984848    2.001776   16.025566    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.007672    0.013813   16.034023    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.979423    0.011824   18.028574    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.005205    2.009465   18.041216    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.987724    4.010920    9.972765    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.011991    6.016946   10.014721    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.998587    6.004141   12.020862    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.011271    4.010385   12.009122    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.990869    4.010960   13.984926    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.991816    5.999889   13.996057    ( 0.0000,  0.0000,  0.0000)
  16 Au     2.965502    6.020135   16.007111    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.020435    3.993615   16.002375    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.980947    3.998348   18.054913    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.009709    6.025073   18.096391    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.994749    4.004522   19.923271    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.985219   -0.000339   10.008320    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.966549    2.018644   10.001576    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.987095    2.029846   11.987420    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.977404   -0.000051   11.993416    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.981321   -0.000157   14.027254    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.983489    2.033813   14.015969    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.003369    2.013843   16.032612    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.968969    0.000304   16.036256    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.009149    0.012055   18.004916    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.971294    2.007002   18.009713    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.998486    4.011076   10.023688    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.966515    6.003146   10.001418    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.987028    5.991794   11.987468    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.965370    4.010873   12.014615    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.995995    4.011140   14.008766    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.984389    5.988454   14.013311    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.016971    6.007793   16.021111    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.956551    4.011253   16.033578    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.006950    3.998266   18.031125    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.971087    6.013958   18.010017    ( 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 11:48:50  -123.123597  -1.59
iter:   2 11:49:50  -159.355683  -1.25  -1.86
iter:   3 11:50:46  -122.274572  -1.77  -1.44
iter:   4 11:51:46  -118.695133  -2.24  -1.98
iter:   5 11:52:51  -118.386607  -3.00  -2.44
iter:   6 11:53:56  -118.334462  -3.22  -2.60
iter:   7 11:54:59  -118.337683c -3.74  -2.65
iter:   8 11:56:01  -118.274366c -4.13  -2.63
iter:   9 11:56:59  -118.264182c -3.89  -2.87
iter:  10 11:57:59  -118.256273c -4.20  -2.97
iter:  11 11:58:58  -118.255132c -4.95  -3.15
iter:  12 11:59:57  -118.253806c -4.60  -3.20
iter:  13 12:00:57  -118.277866c -4.72  -3.34
iter:  14 12:01:56  -118.254147c -4.68  -2.97
iter:  15 12:02:55  -118.253063c -5.43  -3.48
iter:  16 12:03:54  -118.252527c -5.37  -3.68
iter:  17 12:04:54  -118.252474c -5.80  -3.80
iter:  18 12:05:53  -118.252326c -5.93  -3.88
iter:  19 12:06:53  -118.252250c -6.41  -3.96
iter:  20 12:07:53  -118.252442c -6.11  -4.02c
iter:  21 12:08:51  -118.252096c -6.64  -3.89
iter:  22 12:09:51  -118.252123c -7.06  -4.29c
iter:  23 12:10:52  -118.252157c -6.89  -4.31c
iter:  24 12:11:50  -118.252153c -7.13  -4.59c
iter:  25 12:12:50  -118.252164c -7.51c -4.75c

Converged after 25 iterations.

Dipole moment: (-5.155215, -1.699406, 0.230774) |e|*Ang

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

Kinetic:       -196.747432
Potential:      +18.259850
External:        +0.000000
XC:             +64.711995
Entropy (-ST):   -2.385761
Local:           -3.283696
--------------------------
Free energy:   -119.445045
Extrapolated:  -118.252164

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   308     -0.32641    1.48761
  0   309     -0.27847    1.28511
  0   310     -0.26198    1.20772
  0   311     -0.22836    1.04264

  1   308     -0.22780    1.03985
  1   309     -0.22040    1.00287
  1   310     -0.21103    0.95605
  1   311     -0.20175    0.90988


Fermi level: -0.21983

No gap

Forces in eV/Ang:
  0 Au    0.04822   -0.00017   -0.18533
  1 Pd    0.04856    0.02643    0.05346
  2 Pd   -0.01284   -0.00269   -0.09562
  3 Pd   -0.00456    0.00378   -0.01752
  4 Pd    0.01451    0.02233   -0.01461
  5 Pd    0.01189    0.02123   -0.01505
  6 Au    0.01896    0.06057    0.00810
  7 Pd   -0.01510   -0.05577    0.17578
  8 Pd   -0.01469    0.02183    0.04326
  9 Pd    0.03841   -0.09251    0.03614
 10 Au    0.01030   -0.00022   -0.10285
 11 Pd    0.04871   -0.02333    0.05893
 12 Pd   -0.01211    0.00121   -0.09966
 13 Pd   -0.02873   -0.00680   -0.07245
 14 Pd    0.01323   -0.02374    0.02708
 15 Pd    0.01551   -0.04103    0.05745
 16 Au    0.16484   -0.06323    0.12163
 17 Pd    0.00407    0.07367    0.07392
 18 Pd   -0.11409   -0.01616    0.00748
 19 Au    0.01257    0.24858    0.11283
 20 Pd    0.02988   -0.15192   -0.42785
 21 Pd   -0.06771   -0.00123    0.03725
 22 Pd   -0.03170    0.06243    0.03552
 23 Pd    0.01280   -0.02487    0.03955
 24 Au    0.00389    0.00363   -0.00901
 25 Au    0.02721    0.00795   -0.03786
 26 Pd   -0.04233    0.02064    0.01641
 27 Pd    0.00327    0.01854    0.00025
 28 Pd   -0.02972    0.03789   -0.04789
 29 Pd    0.03666    0.05839   -0.02645
 30 Pd   -0.04849    0.02583    0.01304
 31 Pd   -0.00571    0.00072    0.00806
 32 Pd   -0.03197   -0.06319    0.03400
 33 Pd    0.01294    0.02399    0.04113
 34 Pd    0.01134   -0.00305   -0.02293
 35 Pd   -0.01210   -0.00996    0.01731
 36 Pd   -0.06771   -0.01670   -0.06828
 37 Pd   -0.09149   -0.03397    0.07038
 38 Pd   -0.01674   -0.03386    0.10406
 39 Pd    0.11652   -0.04294    0.04613
 40 Pd   -0.04862   -0.03226    0.00982

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     3.015826   -0.000236    9.922629    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.021001    2.008674   10.023257    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.998997    2.019304   12.011891    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.997381    0.000844   11.997398    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.006267    0.002842   13.996086    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.992832    2.025019   13.992999    ( 0.0000,  0.0000,  0.0000)
   6 Au     2.986566    2.008517   16.028192    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.008318    0.009460   16.058617    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.976071    0.016588   18.035059    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.011943    1.998888   18.049075    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.988895    4.010897    9.955377    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.021191    6.014206   10.024527    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.998952    6.002122   12.011435    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.010892    4.009464   12.000932    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.992956    4.008075   13.983620    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993381    5.991960   14.000435    ( 0.0000,  0.0000,  0.0000)
  16 Au     2.981589    6.013091   16.020317    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.025686    3.999538   16.008918    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.965732    3.994147   18.061706    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.014093    6.056963   18.123407    ( 0.0000,  0.0000,  0.0000)
  20 Pd     4.998590    3.984849   19.852593    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.974490   -0.000549   10.014344    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.959801    2.028607   10.006191    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.986525    2.031142   11.989046    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.976928    0.000383   11.990180    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.981484    0.000787   14.025538    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.978451    2.041369   14.018873    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.004526    2.017596   16.035532    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.962893    0.004983   16.033947    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.015406    0.021323   17.998692    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.963340    2.010431   18.009160    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.997679    4.011195   10.028878    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.959728    5.993091   10.005820    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.986463    5.990364   11.989295    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.963666    4.010498   12.013444    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.993966    4.009968   14.010500    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.976414    5.981463   14.005406    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.008978    6.002129   16.030547    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.949854    4.007183   16.049339    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.022564    3.990782   18.038413    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.963080    6.009597   18.009124    ( 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 12:14:17  -119.750299  -2.16
iter:   2 12:15:16  -132.994136  -1.80  -2.14
iter:   3 12:16:15  -119.454175  -2.23  -1.70
iter:   4 12:17:14  -118.440648  -2.82  -2.23
iter:   5 12:18:12  -118.356595  -3.42  -2.67
iter:   6 12:19:11  -118.341674c -4.13  -2.78
iter:   7 12:20:11  -118.312771c -4.49  -2.90
iter:   8 12:21:09  -118.309466c -4.51  -3.18
iter:   9 12:22:08  -118.308238c -4.61  -3.32
iter:  10 12:23:07  -118.308151c -5.33  -3.50
iter:  11 12:24:04  -118.307705c -5.59  -3.53
iter:  12 12:25:04  -118.307644c -5.17  -3.60
iter:  13 12:26:04  -118.307634c -5.68  -3.77
iter:  14 12:27:02  -118.307746c -6.22  -3.91
iter:  15 12:28:01  -118.307268c -5.80  -3.84
iter:  16 12:29:00  -118.307198c -6.20  -4.16c
iter:  17 12:29:59  -118.307180c -6.79  -4.23c
iter:  18 12:30:56  -118.307150c -6.90  -4.22c
iter:  19 12:31:56  -118.307122c -7.03  -4.46c
iter:  20 12:32:53  -118.307121c -7.40  -4.61c
iter:  21 12:33:52  -118.307118c -7.37  -4.58c
iter:  22 12:34:49  -118.307120c -7.84c -4.76c

Converged after 22 iterations.

Dipole moment: (-5.719179, -2.545945, 0.220493) |e|*Ang

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

Kinetic:       -197.086644
Potential:      +18.416247
External:        +0.000000
XC:             +64.834070
Entropy (-ST):   -2.381902
Local:           -3.279842
--------------------------
Free energy:   -119.498072
Extrapolated:  -118.307120

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   308     -0.33389    1.48723
  0   309     -0.28697    1.28932
  0   310     -0.26579    1.18962
  0   311     -0.23586    1.04226

  1   308     -0.23504    1.03818
  1   309     -0.22795    1.00272
  1   310     -0.21732    0.94963
  1   311     -0.20648    0.89578


Fermi level: -0.22740

No gap

Forces in eV/Ang:
  0 Au   -0.00606    0.00063   -0.06701
  1 Pd    0.00634    0.01952   -0.00398
  2 Pd   -0.03698   -0.03281   -0.08876
  3 Pd   -0.05056   -0.01137    0.01983
  4 Pd   -0.00439   -0.01791    0.04147
  5 Pd    0.00015   -0.02687    0.03937
  6 Au    0.03813    0.00525   -0.00579
  7 Pd   -0.02368    0.00446   -0.00110
  8 Pd   -0.07207    0.03100    0.01898
  9 Pd    0.00145   -0.14295   -0.08841
 10 Au    0.01047   -0.00088   -0.06515
 11 Pd    0.00723   -0.01895    0.00505
 12 Pd   -0.01873    0.03095   -0.07185
 13 Pd   -0.05791    0.00791   -0.02325
 14 Pd   -0.01710    0.01474    0.04374
 15 Pd   -0.00548    0.02511    0.02253
 16 Au    0.00636   -0.00943    0.03889
 17 Pd   -0.02061    0.03178    0.13821
 18 Pd   -0.09125    0.01156   -0.05975
 19 Au    0.01117    0.15759    0.03103
 20 Pd    0.02760   -0.11007   -0.07428
 21 Pd   -0.00901   -0.00054    0.00969
 22 Pd   -0.00131    0.00903    0.01555
 23 Pd    0.03362   -0.03982    0.06704
 24 Au    0.07051    0.01190   -0.04357
 25 Au   -0.02683   -0.00826    0.01545
 26 Pd    0.00577   -0.01615   -0.00866
 27 Pd   -0.05443   -0.00859   -0.05430
 28 Pd    0.06776   -0.04316   -0.06577
 29 Pd    0.07216    0.03799    0.03563
 30 Pd    0.00652   -0.02584    0.05407
 31 Pd   -0.00422    0.00016   -0.03700
 32 Pd   -0.00114   -0.00896    0.01464
 33 Pd    0.01026    0.03900    0.06986
 34 Pd    0.05261   -0.01165   -0.01066
 35 Pd   -0.00757   -0.00387    0.01733
 36 Pd    0.02876    0.01343    0.04745
 37 Pd   -0.04802    0.00949    0.03046
 38 Pd    0.04565    0.04239   -0.02531
 39 Pd    0.06917    0.01273   -0.00156
 40 Pd   -0.00892    0.02313    0.00578

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     3.019428   -0.000184    9.900173    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.026232    2.012274   10.026736    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.995055    2.016518   11.998610    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.990974   -0.000485   11.998678    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.008172    0.001306   13.999513    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.993029    2.024261   13.995768    ( 0.0000,  0.0000,  0.0000)
   6 Au     2.991895    2.010983   16.029022    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.006559    0.009896   16.067574    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.964666    0.023207   18.040173    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.015207    1.976897   18.041371    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.990612    4.010775    9.938984    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.026568    6.010884   10.029489    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.997455    6.004581   12.000262    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.004560    4.010192   11.995618    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.991547    4.009157   13.986826    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.992975    5.991453   14.003519    ( 0.0000,  0.0000,  0.0000)
  16 Au     2.985454    6.009984   16.028789    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.026853    4.004123   16.028179    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.948239    3.993317   18.058671    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.018313    6.088577   18.142280    ( 0.0000,  0.0000,  0.0000)
  20 Pd     5.003552    3.963546   19.811957    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.968787   -0.000715   10.018209    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.956154    2.034017   10.009824    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.989805    2.028323   11.996947    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.985729    0.002100   11.982335    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.976430   -0.000038   14.028474    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.977729    2.043978   14.019050    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.997987    2.018329   16.030584    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.968876    0.000693   16.026166    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.027826    0.030286   18.000078    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.960773    2.008175   18.015167    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.996814    4.011269   10.027574    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.956089    5.987661   10.009253    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.986622    5.993020   11.997637    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.968668    4.008826   12.012447    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.992063    4.009111   14.013166    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.977929    5.978706   14.009504    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.001636    6.000915   16.037932    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.951629    4.011614   16.052303    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.037284    3.989088   18.041253    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.958418    6.011134   18.008611    ( 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 12:36:18  -119.154387  -2.45
iter:   2 12:37:19  -132.770447  -1.89  -2.23
iter:   3 12:38:18  -119.366173  -2.41  -1.69
iter:   4 12:39:17  -118.371571  -2.96  -2.28
iter:   5 12:40:19  -118.351720  -3.66  -2.95
iter:   6 12:41:19  -118.341945c -4.58  -2.99
iter:   7 12:42:18  -118.337756c -4.98  -3.23
iter:   8 12:43:19  -118.335851c -4.82  -3.35
iter:   9 12:44:19  -118.334949c -5.03  -3.50
iter:  10 12:45:19  -118.334833c -5.67  -3.70
iter:  11 12:46:19  -118.334810c -5.93  -3.74
iter:  12 12:47:20  -118.334658c -5.56  -3.75
iter:  13 12:48:21  -118.334579c -6.04  -3.94
iter:  14 12:49:20  -118.334547c -6.59  -4.13c
iter:  15 12:50:21  -118.334370c -6.36  -4.03c
iter:  16 12:51:21  -118.334335c -6.63  -4.32c
iter:  17 12:52:21  -118.334381c -6.91  -4.39c
iter:  18 12:53:21  -118.334338c -7.35  -4.35c
iter:  19 12:54:21  -118.334327c -7.33  -4.63c
iter:  20 12:55:21  -118.334327c -7.78c -4.86c

Converged after 20 iterations.

Dipole moment: (-5.586105, -2.969735, 0.211176) |e|*Ang

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

Kinetic:       -198.012889
Potential:      +19.124787
External:        +0.000000
XC:             +65.016812
Entropy (-ST):   -2.374746
Local:           -3.275665
--------------------------
Free energy:   -119.521700
Extrapolated:  -118.334327

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   308     -0.34130    1.48702
  0   309     -0.29628    1.29778
  0   310     -0.27093    1.17841
  0   311     -0.24580    1.05462

  1   308     -0.24184    1.03484
  1   309     -0.23591    1.00520
  1   310     -0.22518    0.95161
  1   311     -0.21104    0.88145


Fermi level: -0.23487

No gap

Forces in eV/Ang:
  0 Au   -0.00373   -0.00203   -0.02679
  1 Pd   -0.00191    0.00008   -0.01467
  2 Pd    0.00165   -0.01240   -0.02099
  3 Pd   -0.04352    0.00379    0.00695
  4 Pd   -0.01694   -0.01341    0.01988
  5 Pd   -0.03737    0.00892    0.01074
  6 Au   -0.02160   -0.00131   -0.01184
  7 Pd   -0.02113   -0.02159   -0.05387
  8 Pd   -0.07281    0.01490    0.01687
  9 Pd   -0.00950   -0.09696   -0.07356
 10 Au    0.00397    0.00248   -0.04029
 11 Pd   -0.00584   -0.00185   -0.02115
 12 Pd   -0.01522    0.01255   -0.02269
 13 Pd   -0.03369   -0.00733    0.02845
 14 Pd    0.01849    0.00586    0.01884
 15 Pd   -0.03111    0.00296    0.01763
 16 Au    0.01832    0.01869    0.03215
 17 Pd   -0.02970    0.02796    0.10738
 18 Pd   -0.01633    0.01906   -0.03471
 19 Au   -0.00515    0.03593    0.02307
 20 Pd    0.00322   -0.04933    0.03488
 21 Pd    0.01416    0.00003    0.01459
 22 Pd   -0.00266   -0.00667   -0.01954
 23 Pd    0.00687   -0.02025    0.04106
 24 Au    0.02384   -0.01531    0.01038
 25 Au    0.02518   -0.02289   -0.00135
 26 Pd    0.02549   -0.04124   -0.00050
 27 Pd    0.02215   -0.00616   -0.02602
 28 Pd    0.03046   -0.00414   -0.04180
 29 Pd    0.07945    0.01947    0.03048
 30 Pd    0.01694   -0.02315    0.00683
 31 Pd    0.00001    0.00039   -0.00618
 32 Pd   -0.00054    0.00804   -0.00261
 33 Pd    0.02701    0.01729    0.05120
 34 Pd    0.03007    0.01187    0.00062
 35 Pd   -0.01882    0.01361    0.01453
 36 Pd    0.01980    0.03961    0.01585
 37 Pd   -0.01683    0.02949    0.01340
 38 Pd    0.01498   -0.00681   -0.05432
 39 Pd    0.02454    0.01635   -0.03119
 40 Pd    0.00366    0.04605    0.02593

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     3.021819   -0.000486    9.883440    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.029400    2.013863   10.027304    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.994420    2.014393   11.990517    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.982552   -0.000253   11.999555    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.007230   -0.000808   14.002725    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.987578    2.026505   13.997253    ( 0.0000,  0.0000,  0.0000)
   6 Au     2.990466    2.012378   16.028146    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.003347    0.006611   16.066228    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.949429    0.028537   18.045410    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.016083    1.954100   18.029579    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.991894    4.011106    9.924569    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.029202    6.009202   10.029671    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.995065    6.006593   11.992512    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.997992    4.009180   11.997198    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.994244    4.009981   13.989698    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.988340    5.990151   14.007288    ( 0.0000,  0.0000,  0.0000)
  16 Au     2.990946    6.010956   16.037815    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.024295    4.010054   16.050825    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.937974    3.994959   18.054443    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.019954    6.108564   18.157646    ( 0.0000,  0.0000,  0.0000)
  20 Pd     5.006158    3.946545   19.791546    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.967222   -0.000803   10.022692    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.953190    2.036487   10.008718    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.991426    2.025312   12.005271    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.991847    0.000401   11.980617    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.978103   -0.003607   14.029452    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.980654    2.040508   14.019583    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.999540    2.018405   16.026017    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.974075   -0.000624   16.017732    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.044816    0.037665   18.003722    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.961066    2.004511   18.017641    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.996413    4.011372   10.027666    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.953439    5.985377   10.010590    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.990282    5.995512   12.007651    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.973993    4.010027   12.012342    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.988268    4.010728   14.016359    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.980328    5.981977   14.012157    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.996241    6.003919   16.043708    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.952724    4.011438   16.047774    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.047981    3.989597   18.038753    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.956047    6.017854   18.011861    ( 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 12:58:52  -118.540596  -2.62
iter:   2 12:59:59  -121.573052  -2.66  -2.56
iter:   3 13:01:05  -118.381620  -2.99  -1.98
iter:   4 13:02:09  -118.359762  -3.96  -2.95
iter:   5 13:03:15  -118.352564c -4.65  -3.09
iter:   6 13:04:22  -118.352898c -4.86  -3.25
iter:   7 13:05:25  -118.349390c -4.91  -3.25
iter:   8 13:06:30  -118.349056c -5.19  -3.56
iter:   9 13:07:35  -118.349215c -5.45  -3.67
iter:  10 13:08:38  -118.348586c -5.86  -3.66
iter:  11 13:10:16  -118.348400c -5.87  -3.87
iter:  12 13:11:31  -118.348086c -5.98  -3.91
iter:  13 13:12:37  -118.347977c -6.42  -4.07c
iter:  14 13:13:39  -118.347953c -6.62  -4.26c
iter:  15 13:14:44  -118.348006c -6.76  -4.40c
iter:  16 13:15:50  -118.348036c -7.14  -4.44c
iter:  17 13:16:51  -118.348040c -7.11  -4.26c
iter:  18 13:17:54  -118.348050c -7.68c -4.53c

Converged after 18 iterations.

Dipole moment: (-5.175795, -2.985379, 0.206179) |e|*Ang

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

Kinetic:       -199.054507
Potential:      +19.955803
External:        +0.000000
XC:             +65.205149
Entropy (-ST):   -2.368082
Local:           -3.270454
--------------------------
Free energy:   -119.532091
Extrapolated:  -118.348050

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   308     -0.34627    1.48531
  0   309     -0.30434    1.30975
  0   310     -0.27677    1.18041
  0   311     -0.25434    1.07015

  1   308     -0.24660    1.03155
  1   309     -0.24172    1.00718
  1   310     -0.23116    0.95439
  1   311     -0.21469    0.87273


Fermi level: -0.24029

No gap

Forces in eV/Ang:
  0 Au   -0.01085   -0.00029    0.00521
  1 Pd   -0.00189   -0.00398   -0.01245
  2 Pd   -0.00296    0.00581    0.00369
  3 Pd   -0.00246   -0.00369    0.00338
  4 Pd   -0.00811   -0.00839   -0.00574
  5 Pd   -0.00629    0.00047    0.02057
  6 Au   -0.01565   -0.00730   -0.00529
  7 Pd    0.01038   -0.01319   -0.04853
  8 Pd   -0.03330   -0.00423    0.00891
  9 Pd   -0.00701   -0.01723   -0.01936
 10 Au    0.00184    0.00059   -0.00707
 11 Pd   -0.00001    0.00120   -0.00768
 12 Pd    0.00529   -0.01067    0.00289
 13 Pd    0.00582    0.00742    0.01010
 14 Pd    0.00191    0.01533    0.00820
 15 Pd   -0.01560    0.00057   -0.00343
 16 Au   -0.02316    0.01691    0.01476
 17 Pd   -0.00654   -0.00668    0.03465
 18 Pd    0.02494    0.01098    0.00549
 19 Au    0.00021   -0.01792    0.02877
 20 Pd   -0.00658   -0.01887    0.03966
 21 Pd    0.01911   -0.00237    0.01974
 22 Pd    0.00018   -0.01674   -0.01221
 23 Pd   -0.00473    0.00619    0.00864
 24 Au    0.00724    0.00452   -0.00197
 25 Au   -0.01311    0.00061   -0.00801
 26 Pd    0.01717   -0.01151   -0.02543
 27 Pd    0.01374   -0.01022   -0.01718
 28 Pd    0.00023   -0.00404   -0.00697
 29 Pd    0.02672   -0.00970    0.00309
 30 Pd    0.01983    0.01075   -0.00950
 31 Pd   -0.00557    0.00221    0.02940
 32 Pd   -0.00064    0.01485   -0.01659
 33 Pd   -0.01399   -0.01443   -0.00190
 34 Pd    0.00643   -0.00171    0.01226
 35 Pd   -0.01249    0.01136    0.01557
 36 Pd    0.02793    0.00208    0.01877
 37 Pd    0.01636    0.02026    0.00211
 38 Pd    0.00161    0.01836   -0.04115
 39 Pd   -0.01696    0.00991   -0.02452
 40 Pd    0.01264    0.02495    0.00951

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     3.020882   -0.000551    9.881643    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.029611    2.013729   10.026046    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.993801    2.014666   11.989358    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.981210   -0.000663   12.000040    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.006140   -0.001943   14.002512    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.986330    2.026732   13.999904    ( 0.0000,  0.0000,  0.0000)
   6 Au     2.988687    2.011989   16.027393    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.003979    0.004392   16.061111    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.943797    0.028691   18.047180    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.015451    1.948928   18.025905    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.992314    4.011208    9.921823    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.029573    6.009014   10.028959    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.995248    6.005738   11.991312    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.997580    4.009916   11.998145    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.994761    4.011766   13.991358    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.986108    5.990070   14.007709    ( 0.0000,  0.0000,  0.0000)
  16 Au     2.989773    6.012690   16.041175    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.023037    4.010441   16.057977    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.939120    3.996452   18.054283    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.020110    6.109988   18.162617    ( 0.0000,  0.0000,  0.0000)
  20 Pd     5.005856    3.941695   19.792692    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.969051   -0.001089   10.025576    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.952873    2.035012   10.007363    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.991268    2.025328   12.007612    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.993541    0.000779   11.980170    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.976972   -0.003903   14.028373    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982774    2.038645   14.016720    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.001170    2.017233   16.023310    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.974772   -0.001154   16.015524    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.049965    0.037582   18.004555    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.963276    2.005407   18.017066    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.995698    4.011641   10.030854    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.953060    5.986652   10.008985    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.989231    5.994484   12.008969    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.975598    4.009923   12.013556    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.986371    4.012162   14.018629    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.983560    5.982737   14.014388    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.996917    6.006519   16.044908    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.953244    4.013471   16.042807    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.047766    3.990730   18.035778    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.957109    6.021384   18.013455    ( 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 13:19:30  -118.367067  -3.56
iter:   2 13:20:34  -118.534364  -3.86  -3.12
iter:   3 13:21:38  -118.367971c -4.08  -2.55
iter:   4 13:22:42  -118.352133c -4.93  -3.06
iter:   5 13:23:46  -118.351015c -5.64  -3.55
iter:   6 13:24:53  -118.350983c -5.72  -3.78
iter:   7 13:25:59  -118.350975c -5.75  -3.91
iter:   8 13:27:02  -118.350973c -6.24  -4.10c
iter:   9 13:28:08  -118.350803c -6.47  -4.18c
iter:  10 13:29:15  -118.350880c -6.56  -4.34c
iter:  11 13:30:18  -118.350714c -6.85  -4.14c
iter:  12 13:31:22  -118.350712c -7.30  -4.48c
iter:  13 13:32:28  -118.350727c -7.45c -4.59c

Converged after 13 iterations.

Dipole moment: (-5.008979, -2.778224, 0.206601) |e|*Ang

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

Kinetic:       -199.432108
Potential:      +20.286060
External:        +0.000000
XC:             +65.253226
Entropy (-ST):   -2.367471
Local:           -3.274170
--------------------------
Free energy:   -119.534463
Extrapolated:  -118.350727

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   308     -0.34615    1.48286
  0   309     -0.30567    1.31343
  0   310     -0.27802    1.18396
  0   311     -0.25566    1.07413

  1   308     -0.24723    1.03209
  1   309     -0.24228    1.00739
  1   310     -0.23169    0.95444
  1   311     -0.21501    0.87176


Fermi level: -0.24080

No gap

Forces in eV/Ang:
  0 Au   -0.00007   -0.00048    0.00834
  1 Pd   -0.00020   -0.00715   -0.00108
  2 Pd    0.01368    0.01090   -0.00233
  3 Pd   -0.00314    0.00569   -0.01033
  4 Pd    0.00169   -0.00278   -0.00869
  5 Pd   -0.00668    0.00902    0.00397
  6 Au   -0.00134   -0.00374    0.00085
  7 Pd   -0.00292   -0.00597    0.00052
  8 Pd   -0.00270    0.00349    0.00281
  9 Pd    0.00093   -0.00807   -0.01351
 10 Au   -0.00276   -0.00121    0.00411
 11 Pd   -0.00178    0.00672   -0.00669
 12 Pd   -0.00082   -0.00843   -0.00839
 13 Pd   -0.00178   -0.00934    0.00659
 14 Pd    0.01003    0.00288    0.00648
 15 Pd   -0.00736   -0.00669    0.00767
 16 Au    0.00292    0.00579    0.00712
 17 Pd   -0.00455   -0.00087    0.00776
 18 Pd    0.01266    0.00020   -0.00157
 19 Au    0.00408   -0.01197    0.01129
 20 Pd    0.00266   -0.02093    0.00686
 21 Pd    0.00588   -0.00013    0.01598
 22 Pd   -0.00298   -0.00173   -0.00500
 23 Pd   -0.00978    0.00942    0.00024
 24 Au   -0.00540   -0.01018   -0.00059
 25 Au    0.00172   -0.00475   -0.01915
 26 Pd    0.00090    0.00275   -0.01335
 27 Pd    0.00945    0.00065   -0.00168
 28 Pd   -0.00615    0.00841   -0.01220
 29 Pd    0.00046    0.00208   -0.00159
 30 Pd    0.00388    0.02544   -0.01231
 31 Pd    0.00333   -0.00245    0.02313
 32 Pd   -0.00175    0.00239   -0.00487
 33 Pd    0.00601   -0.00578    0.00254
 34 Pd   -0.00209    0.00575   -0.00236
 35 Pd   -0.00686    0.00600    0.00763
 36 Pd   -0.00025    0.00355   -0.01007
 37 Pd    0.00330    0.00274   -0.00279
 38 Pd   -0.00141    0.00336   -0.00255
 39 Pd   -0.01094   -0.00119   -0.01781
 40 Pd    0.00279   -0.00379    0.01036

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    27.692    27.691   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                    110.139   110.139   1.3% ||
Hamiltonian:                                52.877     0.074   0.0% |
 Atomic:                                     2.704     1.573   0.0% |
  XC Correction:                             1.131     1.131   0.0% |
 Calculate atomic Hamiltonians:              7.715     7.715   0.1% |
 Communicate:                                0.020     0.020   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.059     0.059   0.0% |
 XC 3D grid:                                42.305    42.305   0.5% |
LCAO initialization:                        88.205     0.412   0.0% |
 LCAO eigensolver:                           7.645     0.002   0.0% |
  Calculate projections:                     0.074     0.074   0.0% |
  DenseAtomicCorrection:                     0.061     0.061   0.0% |
  Distribute overlap matrix:                 0.008     0.008   0.0% |
  Orbital Layouts:                           0.446     0.446   0.0% |
  Potential matrix:                          7.010     7.010   0.1% |
  Sum over cells:                            0.044     0.044   0.0% |
 LCAO to grid:                              78.334    78.334   0.9% |
 Set positions (LCAO WFS):                   1.814     0.427   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.948     0.948   0.0% |
  ST tci:                                    0.340     0.340   0.0% |
  mktci:                                     0.096     0.096   0.0% |
PWDescriptor:                                0.635     0.635   0.0% |
Redistribute:                                0.032     0.032   0.0% |
SCF-cycle:                                8007.970   279.383   3.4% ||
 Davidson:                                6819.206  1404.977  16.9% |------|
  Apply H:                                 542.827   530.535   6.4% |--|
   HMM T:                                   12.292    12.292   0.1% |
  Subspace diag:                          1105.882     0.039   0.0% |
   calc_h_matrix:                          766.864   211.350   2.5% ||
    Apply H:                               555.514   542.774   6.5% |--|
     HMM T:                                 12.740    12.740   0.2% |
   diagonalize:                             17.581    17.581   0.2% |
   rotate_psi:                             321.400   321.400   3.9% |-|
  calc. matrices:                         2420.121  1346.427  16.2% |-----|
   Apply H:                               1073.693  1049.526  12.6% |----|
    HMM T:                                  24.167    24.167   0.3% |
  diagonalize:                             616.682   616.682   7.4% |--|
  rotate_psi:                              728.716   728.716   8.7% |--|
 Density:                                  510.871     0.008   0.0% |
  Atomic density matrices:                   1.651     1.651   0.0% |
  Mix:                                     197.216   197.216   2.4% ||
  Multipole moments:                         0.135     0.135   0.0% |
  Pseudo density:                          311.862   311.854   3.7% ||
   Symmetrize density:                       0.008     0.008   0.0% |
 Hamiltonian:                              314.674     1.702   0.0% |
  Atomic:                                   63.210    37.182   0.4% |
   XC Correction:                           26.028    26.028   0.3% |
  Calculate atomic Hamiltonians:           169.961   169.961   2.0% ||
  Communicate:                               0.180     0.180   0.0% |
  Poisson:                                   1.177     1.177   0.0% |
  XC 3D grid:                               78.444    78.444   0.9% |
 Orthonormalize:                            83.836     0.003   0.0% |
  calc_s_matrix:                             4.828     4.828   0.1% |
  inverse-cholesky:                         56.574    56.574   0.7% |
  projections:                              14.855    14.855   0.2% |
  rotate_psi_s:                              7.575     7.575   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      41.898    41.898   0.5% |
-------------------------------------------------------------------
Total:                                              8329.450 100.0%

Memory usage: 1.01 GiB
Date: Mon Mar 27 13:32:46 2023
