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

User:   lacmarco@node031.cluster
Date:   Mon Mar 27 10:12:03 2023
Arch:   x86_64
Pid:    88734
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: 184.58 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

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

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

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:14:16  -156.326196
iter:   2 10:15:01  -146.006844  -1.19  -1.19
iter:   3 10:15:47  -138.038072  -1.67  -1.27
iter:   4 10:16:33  -123.304504  -0.76  -1.31
iter:   5 10:17:20  -121.089501  -1.46  -1.64
iter:   6 10:18:07  -120.177832  -1.97  -1.84
iter:   7 10:18:52  -121.354175  -2.37  -1.99
iter:   8 10:19:40  -119.770412  -2.74  -1.96
iter:   9 10:20:25  -119.359676  -2.54  -2.08
iter:  10 10:21:11  -119.310962  -2.85  -2.16
iter:  11 10:21:58  -119.198466c -3.26  -2.27
iter:  12 10:22:44  -119.092778c -3.15  -2.27
iter:  13 10:23:32  -119.095481c -3.36  -2.52
iter:  14 10:24:16  -119.068998c -3.95  -2.65
iter:  15 10:25:01  -119.045820c -4.14  -2.73
iter:  16 10:25:47  -119.037481c -4.24  -2.89
iter:  17 10:26:32  -119.034521c -4.33  -3.14
iter:  18 10:27:20  -119.032758c -4.95  -3.24
iter:  19 10:28:06  -119.032136c -5.35  -3.44
iter:  20 10:28:55  -119.032549c -5.43  -3.56
iter:  21 10:29:41  -119.032396c -5.85  -3.52
iter:  22 10:30:27  -119.031968c -6.11  -3.64
iter:  23 10:31:14  -119.032111c -6.18  -3.71
iter:  24 10:32:01  -119.032261c -6.01  -3.76
iter:  25 10:32:51  -119.032250c -6.28  -3.91
iter:  26 10:33:36  -119.032273c -6.60  -4.12c
iter:  27 10:34:22  -119.032078c -6.43  -4.15c
iter:  28 10:35:07  -119.031960c -6.82  -3.89
iter:  29 10:35:51  -119.031911c -7.16  -4.35c
iter:  30 10:36:34  -119.031862c -7.26  -4.40c
iter:  31 10:37:16  -119.031865c -7.49c -4.48c

Converged after 31 iterations.

Dipole moment: (-3.881490, -0.050154, 0.109388) |e|*Ang

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

Kinetic:       -207.085545
Potential:      +27.496184
External:        +0.000000
XC:             +64.739490
Entropy (-ST):   -2.351646
Local:           -3.006172
--------------------------
Free energy:   -120.207688
Extrapolated:  -119.031865

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.37396    1.39228
  0   307     -0.34247    1.25154
  0   308     -0.32566    1.17131
  0   309     -0.30043    1.04683

  1   306     -0.31297    1.10913
  1   307     -0.29160    1.00272
  1   308     -0.24604    0.77863
  1   309     -0.22987    0.70329


Fermi level: -0.29106

No gap

Forces in eV/Ang:
  0 Pd   -0.08022    0.09170    0.10050
  1 Au    0.12978   -0.13728   -0.30913
  2 Pd   -0.16114   -0.16007    0.23328
  3 Pd    0.00051    0.00512    0.24330
  4 Pd    0.01269    0.00039    0.01544
  5 Pd   -0.00966    0.01143   -0.02245
  6 Pd   -0.17196   -0.16818   -0.25397
  7 Pd   -0.15770   -0.12151   -0.10033
  8 Pd   -0.12526   -0.11613   -0.22653
  9 Au    0.03496   -0.34120    0.43797
 10 Au   -0.13453   -0.11994   -0.36851
 11 Au    0.13011    0.13664   -0.32072
 12 Pd   -0.01612    0.15440    0.35403
 13 Pd    0.15127   -0.00573    0.31102
 14 Pd    0.02180   -0.00204    0.05429
 15 Pd   -0.00525    0.01484    0.02920
 16 Pd   -0.04242    0.17708   -0.13405
 17 Pd    0.15792    0.15012   -0.35509
 18 Au   -0.46319    0.15820    0.39346
 19 Pd    0.01959    0.14717    0.02844
 20 Au    0.13556    0.12336   -0.34395
 21 Pd    0.07417    0.08545    0.10864
 22 Pd   -0.08817   -0.07870    0.20924
 23 Pd    0.16769   -0.00358    0.11264
 24 Pd    0.00253    0.16281    0.10034
 25 Pd   -0.01221   -0.00244   -0.00759
 26 Pd   -0.00015    0.00761   -0.02137
 27 Pd    0.17080    0.12179   -0.26316
 28 Pd    0.16460    0.00451   -0.09712
 29 Au    0.15810   -0.13865    0.28973
 30 Pd   -0.01101   -0.03258   -0.15884
 31 Pd    0.08421   -0.09462    0.10530
 32 Au   -0.12144    0.12122   -0.32085
 33 Pd    0.01260    0.00853    0.24776
 34 Pd   -0.15062   -0.15964    0.23220
 35 Pd    0.01903   -0.00044    0.02292
 36 Pd   -0.00068   -0.00690    0.00907
 37 Pd    0.04049   -0.13972   -0.14191
 38 Pd   -0.13980   -0.00160    0.02982
 39 Pd    0.23455    0.11732   -0.02671
 40 Pd   -0.01799    0.03295   -0.15782

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.980187    0.009170   10.010050    ( 0.0000,  0.0000,  0.0000)
   1 Au     5.006634    1.991720    9.969087    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.972095    1.989441   12.028775    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.993708    0.000512   12.029777    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.989478    0.000039   14.012439    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.992690    2.006590   14.008650    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.971013    1.988629   15.990945    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.977887   -0.012151   16.006309    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.975683   -0.011613   17.999137    ( 0.0000,  0.0000,  0.0000)
   9 Au     4.997152    1.971328   18.065586    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.974757    3.998901    9.963149    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.006668    6.030007    9.967928    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.986597    6.031782   12.040851    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.008784    4.010321   12.036550    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.990389    4.010690   14.016324    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993132    6.017826   14.013815    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.983967    6.034050   16.002937    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.009448    4.025907   15.980834    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.941890    4.026715   18.061136    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.995616    6.031059   18.024633    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.007213    4.023230   19.992842    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.006521    0.008545   10.010864    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.973945    1.997577   10.020924    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.015873    2.005090   12.016712    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.983015    0.016281   12.015481    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.997883   -0.000244   14.010136    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982746    2.006209   14.008758    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.016184    2.017627   15.990026    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.999222    0.000451   16.006630    ( 0.0000,  0.0000,  0.0000)
  29 Au     7.014914   -0.013865   18.050762    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.981660    2.002190   18.005905    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.007525    4.001433   10.010530    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.970617    6.028464    9.967915    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.000364    6.017195   12.030224    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.967699    3.994931   12.028667    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.001006    4.010851   14.013186    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982694    6.015652   14.011802    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.003153    6.002370   16.002151    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.968782    4.010734   16.019324    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.022559    4.022627   18.019119    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.980963    6.019637   18.006007    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:38:21  -124.562509  -1.57
iter:   2 10:39:02  -127.894108  -1.66  -1.85
iter:   3 10:39:45  -123.832721  -2.00  -1.78
iter:   4 10:40:27  -120.125870  -2.51  -1.90
iter:   5 10:41:08  -119.413145  -3.07  -2.21
iter:   6 10:41:51  -119.266948  -3.38  -2.50
iter:   7 10:42:33  -119.238728c -3.96  -2.70
iter:   8 10:43:16  -119.218406c -3.87  -2.80
iter:   9 10:43:59  -119.216629c -4.13  -2.98
iter:  10 10:44:42  -119.211663c -4.59  -3.09
iter:  11 10:45:24  -119.209863c -5.16  -3.21
iter:  12 10:46:06  -119.211213c -5.02  -3.29
iter:  13 10:46:48  -119.208464c -5.05  -3.32
iter:  14 10:47:30  -119.209121c -5.50  -3.54
iter:  15 10:48:13  -119.208377c -5.65  -3.60
iter:  16 10:48:55  -119.208474c -5.79  -3.78
iter:  17 10:49:37  -119.208457c -5.65  -3.84
iter:  18 10:50:19  -119.208290c -6.35  -3.98
iter:  19 10:51:00  -119.208337c -6.70  -4.03c
iter:  20 10:51:42  -119.208122c -6.64  -4.10c
iter:  21 10:52:23  -119.208053c -6.76  -4.11c
iter:  22 10:53:05  -119.208026c -7.26  -4.27c
iter:  23 10:53:48  -119.208055c -6.87  -4.32c
iter:  24 10:54:29  -119.208129c -7.39  -4.47c
iter:  25 10:55:11  -119.208104c -7.60c -4.50c

Converged after 25 iterations.

Dipole moment: (-3.396523, 0.056855, 0.109689) |e|*Ang

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

Kinetic:       -213.358835
Potential:      +32.845669
External:        +0.000000
XC:             +65.527092
Entropy (-ST):   -2.341974
Local:           -3.051044
--------------------------
Free energy:   -120.379091
Extrapolated:  -119.208104

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.38419    1.40359
  0   307     -0.35170    1.25939
  0   308     -0.33135    1.16228
  0   309     -0.30227    1.01832

  1   306     -0.31884    1.10081
  1   307     -0.29608    0.98739
  1   308     -0.25101    0.76642
  1   309     -0.23706    0.70163


Fermi level: -0.29861

No gap

Forces in eV/Ang:
  0 Pd   -0.02072    0.02136    0.10534
  1 Au    0.02210   -0.02552   -0.05133
  2 Pd    0.06454    0.05236    0.00156
  3 Pd    0.01940    0.01950    0.01770
  4 Pd   -0.00312    0.00195   -0.00335
  5 Pd    0.01089   -0.02194    0.02315
  6 Pd    0.06976    0.10325    0.03669
  7 Pd    0.09381    0.03541    0.04194
  8 Pd   -0.08293   -0.05401   -0.10896
  9 Au   -0.02145   -0.10283    0.04570
 10 Au   -0.01620   -0.00997   -0.01166
 11 Au    0.01020    0.01458   -0.05315
 12 Pd   -0.02988   -0.05841   -0.06396
 13 Pd   -0.05726   -0.01424   -0.08657
 14 Pd   -0.03070    0.00422    0.04976
 15 Pd    0.00994    0.03834    0.01458
 16 Pd   -0.00822   -0.08543   -0.03262
 17 Pd   -0.08606   -0.06684    0.12003
 18 Au   -0.09467    0.00969    0.07923
 19 Pd   -0.01311    0.05305   -0.06581
 20 Au    0.11805    0.10852   -0.25058
 21 Pd    0.03291    0.03132    0.10880
 22 Pd   -0.03226   -0.02754    0.09740
 23 Pd   -0.05698   -0.02403    0.06002
 24 Pd   -0.02340   -0.06791    0.04741
 25 Pd    0.00663    0.00091    0.07384
 26 Pd   -0.00737    0.00189    0.03581
 27 Pd   -0.05792   -0.07164    0.02247
 28 Pd   -0.08882   -0.01590   -0.06696
 29 Au    0.09963   -0.06062    0.04482
 30 Pd   -0.02883   -0.06413   -0.09969
 31 Pd    0.01970   -0.02388    0.10879
 32 Au   -0.02034    0.02290   -0.05644
 33 Pd    0.03078    0.02252    0.01712
 34 Pd    0.05732    0.07526    0.00470
 35 Pd    0.04873    0.00161   -0.01041
 36 Pd   -0.00785   -0.00239    0.00222
 37 Pd    0.01650    0.06996   -0.03435
 38 Pd    0.04437    0.01523   -0.02408
 39 Pd    0.06121    0.01505   -0.05052
 40 Pd   -0.04254    0.07521   -0.09240

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.976758    0.012839   10.022939    ( 0.0000,  0.0000,  0.0000)
   1 Au     5.010947    1.986926    9.958959    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.976697    1.992741   12.032395    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.995815    0.002698   12.035293    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.989328    0.000256   14.012304    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.993726    2.004384   14.010823    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.976021    1.997317   15.991159    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.985708   -0.010115   16.009365    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.964854   -0.019177   17.983992    ( 0.0000,  0.0000,  0.0000)
   9 Au     4.995348    1.955150   18.077011    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.971013    3.996048    9.956436    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.009696    6.033606    9.957431    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.983124    6.027744   12.039164    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.004824    4.008696   12.031781    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.987389    4.011117   14.022513    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.994130    6.022196   14.015825    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.982449    6.027423   15.997424    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.002469    4.020893   15.988573    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.924791    4.030104   18.075532    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.994487    6.038978   18.017931    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.021996    4.036801   19.960630    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.011180    0.013199   10.024247    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.969149    1.993432   10.034563    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.012186    2.002436   12.024874    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.980520    0.011339   12.022098    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.998419   -0.000182   14.018017    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.981947    2.006526   14.012318    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.012441    2.011674   15.988566    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.992042   -0.001203   15.997946    ( 0.0000,  0.0000,  0.0000)
  29 Au     7.028037   -0.022477   18.059900    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.978376    1.994766   17.992766    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.010903    3.997449   10.023862    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.966619    6.032736    9.957060    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.003882    6.019758   12.035742    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.971676    4.000716   12.032611    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.006563    4.011018   14.012398    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.981834    6.015291   14.012177    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.005538    6.007877   15.996334    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.971517    4.012359   16.017159    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.032654    4.025991   18.013255    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.976092    6.028266   17.993671    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:56:15  -119.994128  -2.51
iter:   2 10:56:58  -125.797578  -2.20  -2.29
iter:   3 10:57:40  -119.298353  -2.63  -1.82
iter:   4 10:58:23  -119.294378  -3.54  -2.87
iter:   5 10:59:04  -119.260188c -4.38  -2.86
iter:   6 10:59:46  -119.253751c -4.62  -3.11
iter:   7 11:00:29  -119.251749c -5.09  -3.29
iter:   8 11:01:11  -119.250918c -4.80  -3.41
iter:   9 11:01:54  -119.250320c -5.27  -3.62
iter:  10 11:02:36  -119.249837c -5.66  -3.67
iter:  11 11:03:19  -119.249498c -5.76  -3.85
iter:  12 11:04:02  -119.249541c -6.24  -3.93
iter:  13 11:04:44  -119.249639c -6.15  -4.07c
iter:  14 11:05:26  -119.249646c -6.56  -4.17c
iter:  15 11:06:08  -119.249735c -6.69  -4.38c
iter:  16 11:06:50  -119.249624c -7.10  -4.49c
iter:  17 11:07:32  -119.249655c -7.27  -4.39c
iter:  18 11:08:14  -119.249613c -7.48c -4.62c

Converged after 18 iterations.

Dipole moment: (-3.259479, 0.496864, 0.109212) |e|*Ang

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

Kinetic:       -213.189251
Potential:      +32.696576
External:        +0.000000
XC:             +65.428547
Entropy (-ST):   -2.337318
Local:           -3.016826
--------------------------
Free energy:   -120.418272
Extrapolated:  -119.249613

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.38812    1.40889
  0   307     -0.35347    1.25527
  0   308     -0.33486    1.16643
  0   309     -0.30379    1.01265

  1   306     -0.31960    1.09145
  1   307     -0.29805    0.98393
  1   308     -0.25480    0.77179
  1   309     -0.23895    0.69812


Fermi level: -0.30126

No gap

Forces in eV/Ang:
  0 Pd   -0.00526    0.00952    0.08003
  1 Au    0.00236   -0.00906   -0.01809
  2 Pd    0.03256    0.04152    0.00650
  3 Pd    0.00166   -0.01423   -0.00563
  4 Pd    0.00057    0.00365    0.02153
  5 Pd    0.00298    0.01675    0.02180
  6 Pd    0.04259    0.02990    0.04520
  7 Pd    0.02457    0.02207    0.03266
  8 Pd   -0.05303   -0.02834   -0.09564
  9 Au   -0.01570   -0.06875    0.00732
 10 Au   -0.00720   -0.00390    0.00372
 11 Au    0.00649    0.01094    0.00170
 12 Pd    0.01107   -0.03720   -0.05567
 13 Pd   -0.03738    0.01378   -0.04766
 14 Pd    0.01263    0.00536    0.00057
 15 Pd   -0.00083   -0.01954    0.00658
 16 Pd    0.01073   -0.03714   -0.02001
 17 Pd   -0.01994   -0.03652    0.09808
 18 Au   -0.05197   -0.00420    0.03801
 19 Pd   -0.01857    0.05463   -0.09711
 20 Au    0.09595    0.08293   -0.15114
 21 Pd    0.00909    0.00816    0.06925
 22 Pd   -0.01072   -0.00647    0.08248
 23 Pd   -0.03377    0.00277    0.06642
 24 Pd    0.00381   -0.03255    0.06067
 25 Pd    0.00082    0.00340    0.01083
 26 Pd    0.00999   -0.00006    0.00862
 27 Pd   -0.05318   -0.00853    0.04651
 28 Pd   -0.01051    0.00941   -0.07870
 29 Au    0.02706   -0.01616    0.03631
 30 Pd   -0.01086   -0.03591   -0.07475
 31 Pd    0.01089   -0.00689    0.08199
 32 Au   -0.00687    0.00228   -0.02573
 33 Pd   -0.01569    0.00288   -0.00447
 34 Pd    0.04516    0.03191   -0.00822
 35 Pd   -0.02370   -0.00083    0.01610
 36 Pd    0.01022    0.00310    0.00519
 37 Pd   -0.02480   -0.00437   -0.02294
 38 Pd    0.00552   -0.00237   -0.01704
 39 Pd    0.05262   -0.00426   -0.09486
 40 Pd   -0.00811    0.01962   -0.05596

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.972295    0.017614   10.039715    ( 0.0000,  0.0000,  0.0000)
   1 Au     5.016559    1.980687    9.945777    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.982687    1.997036   12.037106    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.998558    0.005544   12.042471    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.989133    0.000538   14.012130    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.995075    2.001513   14.013653    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.982538    2.008625   15.991437    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.995887   -0.007466   16.013341    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.950759   -0.029021   17.964281    ( 0.0000,  0.0000,  0.0000)
   9 Au     4.992999    1.934095   18.091881    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.966140    3.992334    9.947699    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.013637    6.038291    9.943770    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.978604    6.022489   12.036970    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.999670    4.006580   12.025574    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.983483    4.011672   14.030568    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.995429    6.027882   14.018441    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.980474    6.018797   15.990248    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.993386    4.014366   15.998646    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.902537    4.034515   18.094268    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993017    6.049285   18.009208    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.041236    4.054464   19.918707    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.017244    0.019256   10.041665    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.962907    1.988036   10.052313    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.007388    1.998981   12.035498    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.977272    0.004907   12.030709    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.999118   -0.000101   14.028273    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.980906    2.006940   14.016951    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.007570    2.003926   15.986665    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.982698   -0.003355   15.986643    ( 0.0000,  0.0000,  0.0000)
  29 Au     7.045115   -0.033686   18.071792    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.974102    1.985105   17.975664    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.015300    3.992263   10.041215    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.961415    6.038295    9.942932    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.008461    6.023095   12.042924    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.976852    4.008246   12.037744    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.013794    4.011236   14.011373    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.980714    6.014822   14.012664    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.008642    6.015043   15.988763    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.975076    4.014474   16.014341    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.045792    4.030370   18.005624    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.969753    6.039497   17.977615    ( 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 11:09:17  -120.511143  -2.28
iter:   2 11:10:00  -128.900288  -1.98  -2.19
iter:   3 11:10:42  -119.386533  -2.46  -1.75
iter:   4 11:11:24  -119.392911  -3.19  -2.67
iter:   5 11:12:07  -119.292084c -4.07  -2.65
iter:   6 11:12:48  -119.278642c -4.36  -2.98
iter:   7 11:13:31  -119.275320c -4.87  -3.17
iter:   8 11:14:13  -119.274307c -4.57  -3.28
iter:   9 11:14:52  -119.272848c -4.98  -3.45
iter:  10 11:15:30  -119.272223c -5.50  -3.57
iter:  11 11:16:13  -119.271701c -5.40  -3.71
iter:  12 11:16:57  -119.271669c -6.03  -3.82
iter:  13 11:17:40  -119.271808c -5.92  -3.91
iter:  14 11:18:24  -119.271795c -6.25  -4.06c
iter:  15 11:19:09  -119.272068c -6.32  -4.22c
iter:  16 11:19:54  -119.271798c -6.80  -4.19c
iter:  17 11:20:38  -119.271791c -6.96  -4.31c
iter:  18 11:21:22  -119.271750c -7.21  -4.48c
iter:  19 11:22:07  -119.271687c -7.28  -4.57c
iter:  20 11:22:51  -119.271690c -7.64c -4.70c

Converged after 20 iterations.

Dipole moment: (-3.072759, 1.067038, 0.106565) |e|*Ang

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

Kinetic:       -211.429025
Potential:      +31.143962
External:        +0.000000
XC:             +65.184708
Entropy (-ST):   -2.330639
Local:           -3.006016
--------------------------
Free energy:   -120.437010
Extrapolated:  -119.271690

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.39379    1.41507
  0   307     -0.35677    1.25114
  0   308     -0.34011    1.17161
  0   309     -0.30655    1.00553

  1   306     -0.32090    1.07711
  1   307     -0.30150    0.98025
  1   308     -0.26091    0.78092
  1   309     -0.24228    0.69426


Fermi level: -0.30545

No gap

Forces in eV/Ang:
  0 Pd    0.01512   -0.00907    0.05357
  1 Au   -0.02408    0.01555    0.03217
  2 Pd    0.00668    0.03937    0.00086
  3 Pd   -0.02524   -0.05470   -0.04736
  4 Pd    0.00950    0.00581    0.04267
  5 Pd   -0.00959    0.06835    0.02527
  6 Pd    0.02235   -0.05025    0.06848
  7 Pd   -0.05241    0.01196    0.03226
  8 Pd   -0.00780    0.01211   -0.06876
  9 Au   -0.00495   -0.03304   -0.04082
 10 Au    0.00669    0.00617    0.03238
 11 Au   -0.00090    0.00251    0.08201
 12 Pd    0.06325   -0.02102   -0.06319
 13 Pd   -0.02310    0.04834   -0.01642
 14 Pd    0.07201    0.00566   -0.06872
 15 Pd   -0.01606   -0.09352   -0.00590
 16 Pd    0.04557    0.01139    0.00112
 17 Pd    0.05572   -0.00626    0.08685
 18 Au    0.00352   -0.02295   -0.01502
 19 Pd   -0.01958    0.06672   -0.14167
 20 Au    0.06002    0.03905   -0.01198
 21 Pd   -0.02343   -0.02497    0.02032
 22 Pd    0.02094    0.02399    0.06410
 23 Pd   -0.01910    0.04103    0.06649
 24 Pd    0.04209   -0.00118    0.06732
 25 Pd   -0.01305    0.00680   -0.07187
 26 Pd    0.03369    0.00069   -0.02094
 27 Pd   -0.05911    0.06801    0.09247
 28 Pd    0.07485    0.04513   -0.08103
 29 Au   -0.07676    0.05095    0.03712
 30 Pd    0.00596   -0.00677   -0.03524
 31 Pd   -0.00335    0.01681    0.05399
 32 Au    0.01276   -0.02490    0.01982
 33 Pd   -0.07420   -0.02734   -0.04417
 34 Pd    0.04010   -0.01049   -0.03911
 35 Pd   -0.11708   -0.00391    0.04268
 36 Pd    0.03482    0.00639   -0.00151
 37 Pd   -0.08737   -0.09180    0.00268
 38 Pd   -0.03786   -0.03006   -0.00559
 39 Pd    0.04238   -0.03283   -0.15313
 40 Pd    0.03649   -0.05193   -0.00020

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.972004    0.018640   10.051661    ( 0.0000,  0.0000,  0.0000)
   1 Au     5.016444    1.979702    9.943609    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.985544    2.002498   12.039218    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.997103    0.001192   12.040735    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.990016    0.001229   14.016334    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.994632    2.007231   14.017255    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.987153    2.007855   15.998167    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.994472   -0.005346   16.018021    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.944403   -0.031732   17.949572    ( 0.0000,  0.0000,  0.0000)
   9 Au     4.991622    1.922333   18.093950    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.964802    3.991406    9.947227    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.015188    6.040476    9.946382    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.983151    6.018481   12.030110    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.995492    4.010580   12.021788    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.989175    4.012452   14.026881    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.994325    6.020766   14.018892    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.984221    6.016736   15.987460    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.995557    4.011335   16.010926    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.893857    4.034070   18.100375    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.990508    6.060072   17.991702    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.054812    4.065324   19.900945    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.017322    0.019187   10.050548    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.962500    1.988270   10.065781    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.003761    2.001734   12.046356    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.980215    0.002430   12.040858    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.998076    0.000607   14.025073    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.983865    2.007176   14.016641    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.999922    2.007812   15.994935    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.986683    0.000318   15.974083    ( 0.0000,  0.0000,  0.0000)
  29 Au     7.044215   -0.033068   18.080360    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.973029    1.980651   17.965373    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.016744    3.991849   10.053430    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.960566    6.038071    9.939153    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.002841    6.021667   12.041513    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.982737    4.009986   12.036029    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.004928    4.010929   14.015255    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.983755    6.015272   14.012710    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.001159    6.008542   15.985971    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.972558    4.012293   16.012714    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.055323    4.028891   17.987350    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.970921    6.038700   17.971229    ( 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 11:23:59  -119.520375  -2.61
iter:   2 11:24:43  -120.758904  -2.78  -2.52
iter:   3 11:25:28  -119.488422  -3.03  -2.11
iter:   4 11:26:12  -119.306898  -3.95  -2.55
iter:   5 11:26:57  -119.296796c -4.45  -3.02
iter:   6 11:27:42  -119.292618c -4.69  -3.19
iter:   7 11:28:27  -119.291633c -5.03  -3.37
iter:   8 11:29:11  -119.290935c -5.21  -3.49
iter:   9 11:29:56  -119.291423c -5.46  -3.61
iter:  10 11:30:40  -119.290394c -5.65  -3.64
iter:  11 11:31:25  -119.290235c -5.94  -3.77
iter:  12 11:32:09  -119.290136c -6.21  -3.92
iter:  13 11:32:54  -119.290144c -6.17  -4.03c
iter:  14 11:33:38  -119.290284c -6.36  -4.19c
iter:  15 11:34:21  -119.290206c -6.76  -4.28c
iter:  16 11:35:06  -119.290312c -7.05  -4.30c
iter:  17 11:35:50  -119.290245c -7.22  -4.33c
iter:  18 11:36:34  -119.290233c -7.26  -4.43c
iter:  19 11:37:18  -119.290207c -7.36  -4.48c
iter:  20 11:38:02  -119.290190c -7.72c -4.55c

Converged after 20 iterations.

Dipole moment: (-3.132329, 1.097964, 0.104369) |e|*Ang

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

Kinetic:       -209.846287
Potential:      +29.827544
External:        +0.000000
XC:             +64.894083
Entropy (-ST):   -2.328182
Local:           -3.001439
--------------------------
Free energy:   -120.454281
Extrapolated:  -119.290190

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.39508    1.41353
  0   307     -0.36077    1.26205
  0   308     -0.34214    1.17338
  0   309     -0.30838    1.00634

  1   306     -0.32126    1.07063
  1   307     -0.30271    0.97798
  1   308     -0.26419    0.78865
  1   309     -0.24213    0.68605


Fermi level: -0.30711

No gap

Forces in eV/Ang:
  0 Pd   -0.00048   -0.00422    0.00896
  1 Au   -0.01239    0.02078    0.04603
  2 Pd    0.01663   -0.00167    0.00750
  3 Pd   -0.02704   -0.00358    0.00492
  4 Pd    0.05422   -0.00055   -0.00574
  5 Pd   -0.02020    0.01695    0.00980
  6 Pd   -0.00166    0.00009    0.01005
  7 Pd   -0.01017    0.00479   -0.06098
  8 Pd   -0.01315    0.01244    0.00403
  9 Au   -0.01838    0.03280    0.00834
 10 Au    0.01624    0.00484    0.00168
 11 Au   -0.00672   -0.00973    0.03919
 12 Pd    0.02240    0.01012   -0.01076
 13 Pd    0.00150    0.00743   -0.01051
 14 Pd    0.03351   -0.00471   -0.00948
 15 Pd   -0.01889   -0.03143    0.00378
 16 Pd    0.00733   -0.01962   -0.00686
 17 Pd   -0.00862   -0.00320    0.04800
 18 Au    0.04486   -0.02341   -0.02454
 19 Pd   -0.01346    0.00363   -0.04475
 20 Au    0.05204    0.03280   -0.01761
 21 Pd   -0.00375   -0.00475    0.00805
 22 Pd    0.01070    0.00663    0.03471
 23 Pd   -0.01263    0.02702    0.01722
 24 Pd    0.02539   -0.00303    0.01818
 25 Pd   -0.03833   -0.00230   -0.02265
 26 Pd    0.01014    0.04017    0.00020
 27 Pd   -0.00721   -0.00565    0.01095
 28 Pd   -0.01928    0.00243   -0.01291
 29 Au   -0.02025    0.01484   -0.00980
 30 Pd    0.00955   -0.01154    0.00828
 31 Pd   -0.00992    0.00340    0.00870
 32 Au    0.01144   -0.00817    0.03756
 33 Pd   -0.01091   -0.02696   -0.00643
 34 Pd   -0.00964    0.00203    0.01626
 35 Pd   -0.03963   -0.00187    0.00305
 36 Pd    0.00497   -0.03227   -0.00837
 37 Pd   -0.01395    0.00968   -0.00027
 38 Pd    0.02244   -0.01739   -0.05697
 39 Pd   -0.00405   -0.01843   -0.04488
 40 Pd    0.00752   -0.01352   -0.00736

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.971556    0.018680   10.056403    ( 0.0000,  0.0000,  0.0000)
   1 Au     5.015294    1.981629    9.947915    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.988488    2.003596   12.041053    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.993568   -0.000003   12.041587    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.997005    0.001324   14.016505    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.992079    2.010404   14.019404    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.988200    2.008273   16.000697    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.993404   -0.004219   16.011530    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.940464   -0.031422   17.945610    ( 0.0000,  0.0000,  0.0000)
   9 Au     4.988905    1.922447   18.096637    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.966170    3.991509    9.946555    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.015002    6.040096    9.950806    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.986640    6.018689   12.027415    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.994586    4.012228   12.019504    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.994365    4.012059   14.025435    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.991795    6.015668   14.019641    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.985787    6.013435   15.985481    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.994493    4.009998   16.019919    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.895981    4.031413   18.099997    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.988211    6.063540   17.981866    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.065480    4.072898   19.892194    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.017286    0.019002   10.054571    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.963317    1.988771   10.074211    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.001231    2.005497   12.051539    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.983830    0.001248   12.045881    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.993079    0.000471   14.022168    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.985701    2.012298   14.016867    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.997218    2.007540   15.997767    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.984655    0.001275   15.969048    ( 0.0000,  0.0000,  0.0000)
  29 Au     7.042626   -0.031849   18.081865    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.973733    1.977650   17.963085    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.016129    3.991808   10.058235    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.961422    6.037418    9.941990    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.000567    6.018189   12.041013    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.982984    4.010956   12.038177    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.998527    4.010642   14.016415    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.984955    6.011284   14.011705    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.998038    6.008717   15.984789    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.974961    4.009774   16.005068    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.057792    4.026610   17.977364    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.971716    6.037537   17.967870    ( 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 11:39:09  -119.451846  -2.99
iter:   2 11:39:54  -119.575417  -3.09  -2.59
iter:   3 11:40:38  -119.650903c -3.32  -2.51
iter:   4 11:41:23  -119.304266  -3.86  -2.42
iter:   5 11:42:08  -119.298982  -4.90  -3.20
iter:   6 11:42:53  -119.298243c -5.13  -3.41
iter:   7 11:43:37  -119.298061c -5.43  -3.58
iter:   8 11:44:21  -119.298002c -5.61  -3.72
iter:   9 11:45:01  -119.297691c -6.06  -3.84
iter:  10 11:45:42  -119.298064c -6.30  -3.87
iter:  11 11:46:27  -119.297489c -6.30  -3.88
iter:  12 11:47:14  -119.297452c -6.49  -4.13c
iter:  13 11:48:01  -119.297467c -6.72  -4.25c
iter:  14 11:48:49  -119.297525c -6.86  -4.39c
iter:  15 11:49:36  -119.297629c -7.12  -4.50c
iter:  16 11:50:23  -119.297524c -7.43c -4.44c

Converged after 16 iterations.

Dipole moment: (-3.219652, 1.053451, 0.103729) |e|*Ang

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

Kinetic:       -208.399839
Potential:      +28.601597
External:        +0.000000
XC:             +64.657245
Entropy (-ST):   -2.326261
Local:           -2.993397
--------------------------
Free energy:   -120.460654
Extrapolated:  -119.297524

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   306     -0.39502    1.41558
  0   307     -0.36156    1.26832
  0   308     -0.34163    1.17361
  0   309     -0.30773    1.00586

  1   306     -0.31956    1.06494
  1   307     -0.30200    0.97722
  1   308     -0.26437    0.79217
  1   309     -0.24007    0.67932


Fermi level: -0.30655

No gap

Forces in eV/Ang:
  0 Pd    0.00214   -0.00089   -0.00263
  1 Au   -0.00420    0.00745    0.03849
  2 Pd    0.00006    0.00710    0.00378
  3 Pd    0.00768    0.00315    0.00123
  4 Pd   -0.00435   -0.00358    0.00166
  5 Pd   -0.00287    0.01513    0.00444
  6 Pd   -0.00408   -0.00697   -0.00333
  7 Pd   -0.00458    0.01599   -0.00952
  8 Pd    0.00712    0.00882   -0.00319
  9 Au   -0.01316    0.00654    0.00309
 10 Au    0.00376    0.00502    0.00366
 11 Au   -0.00429   -0.00409    0.01386
 12 Pd   -0.00091   -0.00693    0.00474
 13 Pd   -0.00615    0.00022   -0.00153
 14 Pd    0.01858   -0.00287   -0.00797
 15 Pd   -0.00041   -0.01799   -0.00421
 16 Pd   -0.01937   -0.00018   -0.00518
 17 Pd   -0.00814   -0.01330    0.01254
 18 Au    0.02322   -0.01517   -0.02248
 19 Pd   -0.00720    0.01343   -0.01961
 20 Au    0.04002    0.02618   -0.00766
 21 Pd   -0.00512    0.00116    0.02671
 22 Pd    0.00817    0.00806    0.03419
 23 Pd   -0.00254   -0.00579    0.00614
 24 Pd   -0.00374    0.00291    0.02456
 25 Pd   -0.00501   -0.00227   -0.01852
 26 Pd    0.00031   -0.00253   -0.00408
 27 Pd   -0.00333   -0.01808   -0.01024
 28 Pd   -0.01273   -0.00951   -0.02416
 29 Au   -0.02016    0.00623   -0.02441
 30 Pd    0.00568    0.00399    0.00353
 31 Pd   -0.00330    0.00190   -0.00450
 32 Au    0.00896   -0.00762    0.04086
 33 Pd    0.00125    0.00296    0.00922
 34 Pd    0.00662    0.00118    0.00882
 35 Pd   -0.02054    0.00085    0.01143
 36 Pd   -0.00056   -0.00182   -0.00586
 37 Pd    0.01208    0.01487   -0.01062
 38 Pd    0.01363   -0.00106   -0.01421
 39 Pd    0.01095   -0.01150   -0.02984
 40 Pd    0.00060   -0.01794   -0.02331

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    16.806    16.805   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                     88.321    88.321   1.5% ||
Hamiltonian:                                12.234     0.054   0.0% |
 Atomic:                                     1.959     0.947   0.0% |
  XC Correction:                             1.012     1.012   0.0% |
 Calculate atomic Hamiltonians:              6.948     6.948   0.1% |
 Communicate:                                0.013     0.013   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.043     0.043   0.0% |
 XC 3D grid:                                 3.217     3.217   0.1% |
LCAO initialization:                        71.974     0.397   0.0% |
 LCAO eigensolver:                           6.514     0.002   0.0% |
  Calculate projections:                     0.035     0.035   0.0% |
  DenseAtomicCorrection:                     0.032     0.032   0.0% |
  Distribute overlap matrix:                 0.007     0.007   0.0% |
  Orbital Layouts:                           0.283     0.283   0.0% |
  Potential matrix:                          6.120     6.120   0.1% |
  Sum over cells:                            0.035     0.035   0.0% |
 LCAO to grid:                              63.599    63.599   1.1% |
 Set positions (LCAO WFS):                   1.463     0.285   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.842     0.842   0.0% |
  ST tci:                                    0.257     0.257   0.0% |
  mktci:                                     0.078     0.078   0.0% |
PWDescriptor:                                0.710     0.710   0.0% |
Redistribute:                                0.036     0.036   0.0% |
SCF-cycle:                                5692.268    87.460   1.5% ||
 Davidson:                                4883.006   948.426  16.0% |-----|
  Apply H:                                 520.215   507.388   8.6% |--|
   HMM T:                                   12.828    12.828   0.2% |
  Subspace diag:                           869.463     0.039   0.0% |
   calc_h_matrix:                          646.997   132.328   2.2% ||
    Apply H:                               514.669   501.839   8.5% |--|
     HMM T:                                 12.830    12.830   0.2% |
   diagonalize:                             12.575    12.575   0.2% |
   rotate_psi:                             209.851   209.851   3.5% ||
  calc. matrices:                         1816.409   791.382  13.4% |----|
   Apply H:                               1025.028   999.909  16.9% |------|
    HMM T:                                  25.119    25.119   0.4% |
  diagonalize:                             329.398   329.398   5.6% |-|
  rotate_psi:                              399.095   399.095   6.7% |--|
 Density:                                  439.691     0.008   0.0% |
  Atomic density matrices:                   1.558     1.558   0.0% |
  Mix:                                     172.467   172.467   2.9% ||
  Multipole moments:                         0.106     0.106   0.0% |
  Pseudo density:                          265.552   265.545   4.5% |-|
   Symmetrize density:                       0.008     0.008   0.0% |
 Hamiltonian:                              263.973     1.290   0.0% |
  Atomic:                                   52.724    31.525   0.5% |
   XC Correction:                           21.199    21.199   0.4% |
  Calculate atomic Hamiltonians:           141.222   141.222   2.4% ||
  Communicate:                               0.067     0.067   0.0% |
  Poisson:                                   0.993     0.993   0.0% |
  XC 3D grid:                               67.677    67.677   1.1% |
 Orthonormalize:                            18.138     0.003   0.0% |
  calc_s_matrix:                             2.909     2.909   0.0% |
  inverse-cholesky:                          0.223     0.223   0.0% |
  projections:                              10.050    10.050   0.2% |
  rotate_psi_s:                              4.953     4.953   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      33.988    33.988   0.6% |
-------------------------------------------------------------------
Total:                                              5916.338 100.0%

Memory usage: 1.00 GiB
Date: Mon Mar 27 11:50:39 2023
