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

User:   lacmarco@node045.cluster
Date:   Mon Mar 27 10:12:02 2023
Arch:   x86_64
Pid:    86064
Python: 3.10.4
gpaw:   /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/gpaw
_gpaw:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/
        _gpaw.cpython-310-x86_64-linux-gnu.so
ase:    /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/ase (version 3.22.1)
numpy:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/numpy (version 1.23.1)
scipy:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/scipy (version 1.9.0)
libxc:  5.2.3
units:  Angstrom and eV
cores: 16
OpenMP: True
OMP_NUM_THREADS: 1

Input parameters:
  kpts: [4 4 1]
  mode: {ecut: 400.0,
         name: pw}
  xc: RPBE

System changes: positions, numbers, cell, pbc, initial_charges, initial_magmoms 

Initialize ...

Pd-setup:
  name: Palladium
  id: 6da19bfba079f22767af9506641940b9
  Z: 46.0
  valence: 16
  core: 30
  charge: 0.0
  file: /groups/kemi/lacmarco/miniconda3/envs/gpaw22/share/gpaw/Pd.RPBE.gz
  compensation charges: gauss, rc=0.38, lmax=2
  cutoffs: 2.38(filt), 2.28(core),
  valence states:
                energy  radius
    5s(0.00)    -3.225   1.228
    4p(6.00)   -51.131   1.360
    5p(0.00)    -0.373   1.360
    4d(10.00)    -3.964   1.228
    *s          23.987   1.228
    *d          23.247   1.228

  Using partial waves for Pd as LCAO basis

Au-setup:
  name: Gold
  id: f729301af73151f9133db6f6e28f92a1
  Z: 79.0
  valence: 11
  core: 68
  charge: 0.0
  file: /groups/kemi/lacmarco/miniconda3/envs/gpaw22/share/gpaw/Au.RPBE.gz
  compensation charges: gauss, rc=0.42, lmax=2
  cutoffs: 2.33(filt), 2.81(core),
  valence states:
                energy  radius
    6s(1.00)    -5.611   1.323
    6p(0.00)    -0.793   1.323
    5d(10.00)    -6.824   1.323
    *s          21.600   1.323
    *p          26.419   1.323
    *d          20.388   1.323

  Using partial waves for Au as LCAO basis

Reference energy: -9041063.528220

Spin-paired calculation

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

Symmetries present (total): 1

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

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

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

Occupation numbers: Fermi-Dirac: width=0.1000 eV
 

Eigensolver
   Davidson(niter=2) 

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

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

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

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 181.87 MiB
  Calculator: 504.68 MiB
    Density: 54.04 MiB
      Arrays: 22.22 MiB
      Localized functions: 23.28 MiB
      Mixer: 8.54 MiB
    Hamiltonian: 15.09 MiB
      Arrays: 14.53 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.57 MiB
    Wavefunctions: 435.54 MiB
      Arrays psit_nG: 199.03 MiB
      Eigensolver: 222.73 MiB
      Projections: 2.09 MiB
      Projectors: 2.82 MiB
      PW-descriptor: 8.88 MiB

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

Number of atoms: 41
Number of atomic orbitals: 465
Number of bands in calculation: 371
Number of valence electrons: 611
Bands to converge: occupied

... initialized

Initializing position-dependent things.

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

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

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

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:13:49  -153.007865
iter:   2 10:14:28  -145.663182  -1.24  -1.20
iter:   3 10:15:06  -155.549053  -1.45  -1.26
iter:   4 10:15:44  -136.876564  -1.54  -1.22
iter:   5 10:16:23  -126.019255  -0.72  -1.32
iter:   6 10:17:01  -122.434729  -1.60  -1.64
iter:   7 10:17:39  -120.662688  -2.14  -1.77
iter:   8 10:18:16  -119.846100  -1.88  -1.84
iter:   9 10:18:55  -118.415195  -2.55  -1.95
iter:  10 10:19:33  -118.283217  -2.70  -2.05
iter:  11 10:20:11  -117.983484  -2.90  -2.11
iter:  12 10:20:50  -117.779927  -3.18  -2.19
iter:  13 10:21:28  -117.662469  -2.71  -2.27
iter:  14 10:22:05  -117.685349c -3.36  -2.45
iter:  15 10:22:43  -117.619081c -3.91  -2.46
iter:  16 10:23:22  -117.616926c -3.70  -2.59
iter:  17 10:24:00  -117.587776c -3.93  -2.66
iter:  18 10:24:37  -117.586254c -3.89  -2.77
iter:  19 10:25:15  -117.581280c -4.51  -2.89
iter:  20 10:25:53  -117.574740c -4.46  -2.97
iter:  21 10:26:32  -117.574944c -5.19  -3.09
iter:  22 10:27:09  -117.575442c -4.79  -3.12
iter:  23 10:27:49  -117.575209c -4.75  -3.17
iter:  24 10:28:27  -117.573722c -5.09  -3.30
iter:  25 10:29:06  -117.573250c -5.68  -3.37
iter:  26 10:29:45  -117.573572c -5.27  -3.44
iter:  27 10:30:23  -117.572193c -5.44  -3.50
iter:  28 10:31:02  -117.572545c -5.82  -3.66
iter:  29 10:31:39  -117.572079c -5.53  -3.71
iter:  30 10:32:18  -117.572133c -6.45  -3.94
iter:  31 10:32:57  -117.572224c -6.33  -4.11c
iter:  32 10:33:34  -117.572255c -6.72  -4.29c
iter:  33 10:34:13  -117.572308c -7.27  -4.48c
iter:  34 10:34:50  -117.572214c -7.54c -4.54c

Converged after 34 iterations.

Dipole moment: (-3.288586, -0.089038, 0.062678) |e|*Ang

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

Kinetic:       -193.633505
Potential:      +22.069615
External:        +0.000000
XC:             +57.916981
Entropy (-ST):   -2.218027
Local:           -2.816291
--------------------------
Free energy:   -118.681228
Extrapolated:  -117.572214

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.35314    1.45891
  0   304     -0.32221    1.32862
  0   305     -0.28473    1.15272
  0   306     -0.26542    1.05730

  1   303     -0.29346    1.19503
  1   304     -0.28158    1.13730
  1   305     -0.25881    1.02430
  1   306     -0.20236    0.74762


Fermi level: -0.25395

No gap

Forces in eV/Ang:
  0 Pd    0.07842    0.07770    0.19122
  1 Pd   -0.07365   -0.08148    0.19800
  2 Pd    0.01275   -0.01431   -0.07800
  3 Pd   -0.12977    0.12863   -0.05830
  4 Pd    0.11960   -0.13263   -0.30931
  5 Pd    0.00859    0.02281   -0.31776
  6 Au    0.36906    0.14103   -0.09940
  7 Pd    0.00010   -0.25962    0.16319
  8 Pd    0.15217   -0.18679    0.07064
  9 Pd   -0.10156   -0.20352    0.25221
 10 Pd    0.07762   -0.07939    0.19388
 11 Pd   -0.20679    0.08121    0.06018
 12 Pd    0.15985    0.00984    0.07814
 13 Pd   -0.29811   -0.13165    0.03790
 14 Pd   -0.01973    0.12226   -0.14270
 15 Pd   -0.12429   -0.01839    0.18302
 16 Pd    0.08967   -0.07361    0.02650
 17 Pd   -0.17293    0.24638   -0.15906
 18 Pd   -0.07356    0.18309    0.14121
 19 Pd   -0.10649    0.22939   -0.04027
 20 Au   -0.11546   -0.00751   -0.46653
 21 Pd   -0.08322    0.21771    0.05872
 22 Pd    0.07977   -0.07746    0.19212
 23 Pd   -0.01296   -0.16797    0.03121
 24 Pd    0.12834    0.28769    0.02014
 25 Pd   -0.11728    0.01007   -0.14033
 26 Pd   -0.00463    0.13592   -0.44714
 27 Au   -0.35886   -0.05554   -0.28539
 28 Au    0.00566   -0.56036   -0.05243
 29 Pd   -0.16039   -0.19441    0.06860
 30 Au    0.14306    0.02249    0.83763
 31 Au   -0.10668   -0.30874   -0.49805
 32 Au    0.30444    0.11506   -0.51815
 33 Au   -0.21004    0.21261    0.27091
 34 Pd    0.28415   -0.27431    0.17548
 35 Pd    0.00311   -0.00232   -0.00541
 36 Pd    0.12102   -0.13362    0.00255
 37 Pd   -0.08328    0.05895   -0.06535
 38 Pd    0.13056    0.40351   -0.06304
 39 Au    0.19402    0.27571    0.60022
 40 Pd    0.10834   -0.01780   -0.08126

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.996051    0.007770   10.019122    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.986291    1.997299   10.019800    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.989484    2.004017   11.997647    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.980680    0.012863   11.999618    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.000170   -0.013263   13.979964    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.994515    2.007729   13.979118    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.025115    2.019551   16.006402    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.993666   -0.025962   16.032661    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.003426   -0.018679   18.028854    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.983500    1.985096   18.047010    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.995971    4.002956   10.019388    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.972977    6.024463   10.006018    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.004194    6.017326   12.013261    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.963845    3.997730   12.009238    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.986236    4.023121   13.996625    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.981227    6.014503   14.029197    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.997176    6.008981   16.018992    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.976364    4.035532   16.000436    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.980853    4.029204   18.035911    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.983008    6.039281   18.017763    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.982111    4.010144   19.980584    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.990782    0.021771   10.005872    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.990739    1.997701   10.019212    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.997808    1.988651   12.008568    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.995595    0.028769   12.007461    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.987376    0.001007   13.996862    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982299    2.019040   13.966180    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.963218    1.999893   15.987803    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.983328   -0.056036   16.011099    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.983064   -0.019441   18.028650    ( 0.0000,  0.0000,  0.0000)
  30 Au     0.997068    2.007696   18.105552    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.988436    3.980020    9.950195    ( 0.0000,  0.0000,  0.0000)
  32 Au     1.013206    6.027849    9.948185    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.978100    6.037603   12.032539    ( 0.0000,  0.0000,  0.0000)
  34 Pd     1.011177    3.983464   12.022995    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.999415    4.010663   14.010354    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.994864    6.002980   14.011150    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.990776    6.022237   16.009807    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.995818    4.051246   16.010039    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.018506    4.038466   18.081812    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.993596    6.014562   18.013664    ( 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 10:35:49  -124.318930  -1.41
iter:   2 10:36:27  -154.905655  -1.32  -1.83
iter:   3 10:37:05  -120.613759  -1.90  -1.45
iter:   4 10:37:44  -118.694105  -2.21  -2.03
iter:   5 10:38:24  -118.226190  -3.00  -2.22
iter:   6 10:39:02  -118.138080  -3.03  -2.34
iter:   7 10:39:42  -117.880040  -3.38  -2.40
iter:   8 10:40:21  -117.845315c -3.27  -2.68
iter:   9 10:40:58  -117.832482c -4.03  -2.85
iter:  10 10:41:37  -117.833380c -4.55  -2.98
iter:  11 10:42:15  -117.825720c -4.68  -3.01
iter:  12 10:42:54  -117.825474c -4.44  -3.15
iter:  13 10:43:33  -117.832395c -4.86  -3.28
iter:  14 10:44:12  -117.824485c -5.25  -3.21
iter:  15 10:44:50  -117.824006c -5.04  -3.45
iter:  16 10:45:29  -117.823533c -5.35  -3.70
iter:  17 10:46:06  -117.824116c -5.73  -3.79
iter:  18 10:46:44  -117.823738c -6.27  -3.79
iter:  19 10:47:23  -117.823324c -6.01  -3.96
iter:  20 10:48:02  -117.823780c -6.66  -4.09c
iter:  21 10:48:40  -117.823384c -6.56  -4.05c
iter:  22 10:49:18  -117.823447c -6.96  -4.31c
iter:  23 10:49:58  -117.823381c -7.09  -4.41c
iter:  24 10:50:36  -117.823534c -6.99  -4.40c
iter:  25 10:51:14  -117.823538c -7.43c -4.65c

Converged after 25 iterations.

Dipole moment: (-2.834746, 2.662366, 0.062918) |e|*Ang

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

Kinetic:       -201.047143
Potential:      +28.180593
External:        +0.000000
XC:             +58.994483
Entropy (-ST):   -2.220797
Local:           -2.841072
--------------------------
Free energy:   -118.933937
Extrapolated:  -117.823538

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.36059    1.46250
  0   304     -0.33312    1.34799
  0   305     -0.28682    1.13086
  0   306     -0.26676    1.03135

  1   303     -0.30138    1.20163
  1   304     -0.28461    1.12002
  1   305     -0.26197    1.00736
  1   306     -0.21249    0.76448


Fermi level: -0.26049

No gap

Forces in eV/Ang:
  0 Pd    0.04483    0.04099    0.06532
  1 Pd   -0.04982   -0.04054    0.06790
  2 Pd    0.04771   -0.02411   -0.00849
  3 Pd   -0.04674    0.01863   -0.02502
  4 Pd    0.01643    0.01796   -0.01627
  5 Pd   -0.05177   -0.00633   -0.15648
  6 Au   -0.15012   -0.07831    0.00617
  7 Pd   -0.05224   -0.05571    0.00507
  8 Pd   -0.00446   -0.03293    0.00998
  9 Pd    0.01255   -0.09917    0.08219
 10 Pd    0.02111   -0.03072    0.06869
 11 Pd   -0.04465    0.00544    0.05883
 12 Pd   -0.03259    0.01657   -0.03831
 13 Pd    0.05083    0.01032   -0.04513
 14 Pd    0.00741    0.00898   -0.03212
 15 Pd   -0.04368    0.00421    0.03224
 16 Pd    0.07227   -0.00669   -0.00394
 17 Pd    0.06509    0.07762    0.08377
 18 Pd   -0.10540    0.06862    0.03419
 19 Pd   -0.03878    0.09012    0.01445
 20 Au   -0.14015    0.01139   -0.19269
 21 Pd   -0.01427    0.04233    0.05220
 22 Pd    0.04176   -0.01676    0.06846
 23 Pd   -0.04591    0.05642   -0.04977
 24 Pd    0.02332   -0.09487   -0.05023
 25 Pd   -0.02037    0.01987   -0.00402
 26 Pd    0.04364   -0.04199    0.13658
 27 Au    0.13035    0.06125    0.17862
 28 Au    0.06119    0.26775    0.01019
 29 Pd    0.00646   -0.02075    0.00645
 30 Au    0.03233   -0.07247    0.12444
 31 Au    0.00879   -0.00008   -0.07778
 32 Au    0.00646   -0.00711   -0.08872
 33 Au    0.08411   -0.12727   -0.19957
 34 Pd   -0.07507    0.12514   -0.16135
 35 Pd   -0.01755    0.02825   -0.06141
 36 Pd    0.02661   -0.03679   -0.17533
 37 Pd   -0.09335   -0.09618   -0.00401
 38 Pd   -0.03542   -0.12344    0.10175
 39 Au    0.18531    0.03260    0.10976
 40 Pd    0.07981    0.00758    0.05548

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.001629    0.012951   10.028294    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.980276    1.992112   10.029324    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.994459    2.001396   11.995733    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.974213    0.016485   11.996308    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.003447   -0.013256   13.974126    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.989421    2.007401   13.959053    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.015016    2.013583   16.005674    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.988409   -0.035095   16.035387    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.005044   -0.024530   18.030817    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.983384    1.972350   18.058709    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.999150    3.998785   10.028935    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.965675    6.026113   10.012757    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.003084    6.019128   12.010466    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.964914    3.996981   12.005210    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.986714    4.025685   13.991454    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.975143    6.014678   14.034928    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.005668    6.007309   16.018955    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.980567    4.046691   16.006708    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.969244    4.038597   18.041270    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.977658    6.051467   18.018670    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.966436    4.011188   19.954853    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.988216    0.028989   10.011924    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.996025    1.994962   10.028713    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.993011    1.992049   12.003983    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.999685    0.023126   12.002679    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.983733    0.003144   13.994552    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.986629    2.016659   13.973856    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.971466    2.005305   16.001908    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.989564   -0.036694   16.011413    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.981537   -0.024169   18.030230    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.002265    2.000707   18.129452    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.987872    3.975820    9.935602    ( 0.0000,  0.0000,  0.0000)
  32 Au     1.017990    6.028695    9.932219    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.983714    6.027679   12.016129    ( 0.0000,  0.0000,  0.0000)
  34 Pd     1.007479    3.992336   12.009137    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.997690    4.013475   14.004099    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.999186    5.997462   13.993536    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.980250    6.013357   16.008515    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.994025    4.044300   16.019425    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.039793    4.045491   18.101010    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.003100    6.015084   18.018144    ( 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 10:52:12  -119.298449  -2.32
iter:   2 10:52:51  -132.513200  -1.79  -2.13
iter:   3 10:53:29  -119.016007  -2.33  -1.68
iter:   4 10:54:08  -117.942340  -2.87  -2.27
iter:   5 10:54:47  -117.892458  -3.57  -2.77
iter:   6 10:55:24  -117.885085c -3.97  -2.94
iter:   7 10:56:03  -117.873806c -4.69  -3.05
iter:   8 10:56:44  -117.870663c -4.59  -3.21
iter:   9 10:57:24  -117.869955c -4.91  -3.36
iter:  10 10:58:03  -117.869064c -5.52  -3.47
iter:  11 10:58:44  -117.869241c -5.54  -3.60
iter:  12 10:59:22  -117.868708c -5.57  -3.71
iter:  13 11:00:02  -117.869015c -6.18  -3.68
iter:  14 11:00:45  -117.868690c -6.20  -3.86
iter:  15 11:01:25  -117.868645c -6.10  -3.97
iter:  16 11:02:05  -117.868725c -6.33  -4.08c
iter:  17 11:02:45  -117.868521c -6.58  -4.07c
iter:  18 11:03:25  -117.868508c -6.73  -4.19c
iter:  19 11:04:06  -117.868132c -6.56  -4.24c
iter:  20 11:04:44  -117.868310c -7.20  -4.22c
iter:  21 11:05:23  -117.868293c -7.77c -4.68c

Converged after 21 iterations.

Dipole moment: (-2.274905, 2.122566, 0.059115) |e|*Ang

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

Kinetic:       -202.263377
Potential:      +29.120735
External:        +0.000000
XC:             +59.234277
Entropy (-ST):   -2.218589
Local:           -2.850633
--------------------------
Free energy:   -118.977587
Extrapolated:  -117.868293

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.36351    1.46280
  0   304     -0.33348    1.33700
  0   305     -0.28922    1.12873
  0   306     -0.26988    1.03273

  1   303     -0.30203    1.19110
  1   304     -0.28775    1.12148
  1   305     -0.26403    1.00348
  1   306     -0.21610    0.76813


Fermi level: -0.26333

No gap

Forces in eV/Ang:
  0 Pd    0.00544    0.00743   -0.00882
  1 Pd   -0.01471   -0.00076   -0.01065
  2 Pd   -0.05852    0.02660    0.04562
  3 Pd    0.05568   -0.08504    0.02522
  4 Pd   -0.01418    0.00217    0.02100
  5 Pd    0.01348    0.01898    0.07605
  6 Au    0.03454    0.03381    0.04444
  7 Pd    0.01463    0.09360   -0.04310
  8 Pd   -0.02282   -0.00513    0.03070
  9 Pd    0.00246   -0.05076   -0.03240
 10 Pd    0.00970   -0.01378    0.01784
 11 Pd   -0.01654   -0.00392    0.02895
 12 Pd   -0.01774   -0.00509   -0.03756
 13 Pd    0.06597    0.06125   -0.03327
 14 Pd   -0.00760   -0.03187    0.01036
 15 Pd    0.03146    0.00879   -0.08852
 16 Pd   -0.08674    0.00402   -0.03122
 17 Pd    0.03175   -0.11190    0.10082
 18 Pd   -0.08556    0.00004   -0.03831
 19 Pd    0.00873    0.02417    0.04507
 20 Au   -0.09804    0.02246   -0.09863
 21 Pd    0.00028    0.01046    0.03489
 22 Pd    0.02248   -0.00767    0.04165
 23 Pd    0.03909    0.04771   -0.00526
 24 Pd   -0.03620   -0.05896   -0.01220
 25 Pd   -0.00001   -0.01378    0.00272
 26 Pd   -0.01101    0.01487    0.00548
 27 Au   -0.02306    0.05042    0.09504
 28 Au   -0.02883    0.00713   -0.00908
 29 Pd    0.03829   -0.02637   -0.01832
 30 Au    0.03266   -0.06561    0.10890
 31 Au   -0.00208   -0.00333   -0.06653
 32 Au    0.00424    0.00642   -0.07834
 33 Au    0.00916   -0.03017   -0.11076
 34 Pd   -0.05799    0.02575   -0.09316
 35 Pd   -0.00172   -0.01945   -0.01825
 36 Pd   -0.01844    0.02543    0.01021
 37 Pd    0.08303   -0.00154    0.00205
 38 Pd   -0.01915   -0.04074    0.03707
 39 Au    0.08775    0.01302    0.07042
 40 Pd    0.04550    0.07301   -0.01768

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.005206    0.016593   10.032168    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.975344    1.989295   10.033158    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.989464    2.003466   12.000296    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.977726    0.007942   11.997723    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.003631   -0.013463   13.972912    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.988768    2.009720   13.958088    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.015990    2.015564   16.010564    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.987794   -0.028529   16.031831    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.003483   -0.028592   18.035858    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.983269    1.959260   18.061018    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.002140    3.994812   10.036350    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.959425    6.026687   10.019771    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.000915    6.019365   12.004717    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.972630    4.003860   11.999277    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.985908    4.023317   13.989821    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.975805    6.015799   14.027131    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.999046    6.006764   16.015105    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.985897    4.038719   16.021751    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.952779    4.043661   18.039467    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.975868    6.061044   18.024622    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.946346    4.014477   19.928707    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.986748    0.034473   10.019359    ( 0.0000,  0.0000,  0.0000)
  22 Pd     1.001617    1.992434   10.039098    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.995642    1.999030   12.001292    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.997508    0.014116   11.998982    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.981601    0.002444   13.993302    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.987250    2.017914   13.976502    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.971108    2.013978   16.019422    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.988870   -0.028801   16.010225    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.985058   -0.030409   18.028913    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.009328    1.989263   18.157389    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.986957    3.972310    9.918589    ( 0.0000,  0.0000,  0.0000)
  32 Au     1.021870    6.030319    9.913004    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.986726    6.020017   11.995504    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.999488    3.998723   11.991572    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.996680    4.012333   13.998859    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.999327    5.997596   13.986597    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.985478    6.009228   16.007931    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.991252    4.037398   16.028248    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.061498    4.051420   18.121039    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.013666    6.024452   18.017717    ( 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 11:06:24  -118.702437  -2.49
iter:   2 11:07:03  -125.845678  -2.07  -2.26
iter:   3 11:07:42  -118.420180  -2.52  -1.82
iter:   4 11:08:23  -117.932579  -3.20  -2.41
iter:   5 11:09:04  -117.907668  -3.84  -2.93
iter:   6 11:09:43  -117.900809c -4.39  -3.08
iter:   7 11:10:23  -117.897476c -5.06  -3.24
iter:   8 11:11:02  -117.896753c -4.83  -3.37
iter:   9 11:11:41  -117.896009c -5.34  -3.53
iter:  10 11:12:20  -117.897152c -5.63  -3.68
iter:  11 11:13:00  -117.895819c -5.86  -3.65
iter:  12 11:13:40  -117.895686c -5.87  -3.86
iter:  13 11:14:20  -117.896037c -6.31  -3.92
iter:  14 11:15:05  -117.895676c -6.44  -4.01c
iter:  15 11:15:45  -117.895735c -6.36  -4.10c
iter:  16 11:16:32  -117.895665c -6.67  -4.25c
iter:  17 11:17:19  -117.895747c -6.64  -4.35c
iter:  18 11:18:05  -117.895570c -7.27  -4.39c
iter:  19 11:18:50  -117.895575c -7.52c -4.65c

Converged after 19 iterations.

Dipole moment: (-1.788199, 2.375011, 0.054787) |e|*Ang

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

Kinetic:       -203.619335
Potential:      +30.195549
External:        +0.000000
XC:             +59.474360
Entropy (-ST):   -2.215238
Local:           -2.838530
--------------------------
Free energy:   -119.003194
Extrapolated:  -117.895575

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.36833    1.46568
  0   304     -0.33596    1.32990
  0   305     -0.29369    1.13061
  0   306     -0.27479    1.03682

  1   303     -0.30332    1.17760
  1   304     -0.29370    1.13063
  1   305     -0.26859    1.00586
  1   306     -0.21977    0.76616


Fermi level: -0.26742

No gap

Forces in eV/Ang:
  0 Pd   -0.00719    0.00268   -0.01801
  1 Pd   -0.00083    0.00708   -0.00084
  2 Pd   -0.00914    0.00926    0.05917
  3 Pd    0.03553   -0.00216    0.03994
  4 Pd   -0.02022    0.00728    0.01521
  5 Pd    0.03386    0.02041    0.06188
  6 Au    0.00894    0.02294    0.04021
  7 Pd    0.02222    0.01518   -0.03591
  8 Pd   -0.00755    0.00607    0.01089
  9 Pd   -0.00016   -0.01757   -0.01226
 10 Pd    0.00396   -0.00626   -0.02007
 11 Pd   -0.00749   -0.00225   -0.04377
 12 Pd   -0.03815   -0.02000   -0.00273
 13 Pd    0.01671   -0.00427    0.00112
 14 Pd   -0.00496   -0.00444    0.00691
 15 Pd    0.03435   -0.03617   -0.00638
 16 Pd   -0.00613    0.00160   -0.04084
 17 Pd    0.00609   -0.00486    0.05957
 18 Pd   -0.05999   -0.01850   -0.05226
 19 Pd    0.01890    0.00213   -0.03532
 20 Au   -0.05308    0.00876   -0.01686
 21 Pd    0.00221    0.00887   -0.00968
 22 Pd    0.00708   -0.01061   -0.00919
 23 Pd    0.01329    0.00909    0.01931
 24 Pd   -0.02889   -0.02097    0.01695
 25 Pd    0.01989   -0.00135    0.00059
 26 Pd   -0.03903    0.02261   -0.02104
 27 Au    0.01161    0.00362    0.01722
 28 Au   -0.03388   -0.00253   -0.01937
 29 Pd    0.03495   -0.01963   -0.01045
 30 Au    0.01709   -0.05574    0.06039
 31 Au   -0.00837   -0.01553   -0.06990
 32 Au    0.01065    0.01131   -0.06499
 33 Au    0.02908    0.01063   -0.00530
 34 Pd   -0.01365    0.00852   -0.00198
 35 Pd    0.01108   -0.00697    0.02070
 36 Pd   -0.03679   -0.00068    0.03610
 37 Pd    0.03351    0.00574    0.00606
 38 Pd   -0.01521   -0.01480   -0.01011
 39 Au    0.02325    0.01223    0.05095
 40 Pd    0.00874    0.06987   -0.01000

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.006739    0.019530   10.033109    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.972046    1.988096   10.036754    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.987645    2.004901   12.010213    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.982592    0.005694   12.003357    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.001516   -0.012493   13.973217    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.992381    2.013495   13.961971    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.015324    2.018263   16.018025    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.989628   -0.026406   16.025984    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.002287   -0.030569   18.039703    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.983135    1.948988   18.062947    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.004558    3.991472   10.038266    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.954309    6.026984   10.017243    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.994249    6.016889   12.001717    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.977871    4.005291   11.996473    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.985002    4.022539   13.988973    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.979633    6.010778   14.025044    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.998033    6.006378   16.007678    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.989568    4.038167   16.037236    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.935336    4.044980   18.032393    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.976741    6.067687   18.021524    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.927702    4.017153   19.910836    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.985917    0.039522   10.021922    ( 0.0000,  0.0000,  0.0000)
  22 Pd     1.005898    1.989281   10.043635    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.997333    2.003509   12.002169    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.993500    0.006666   11.999113    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.982925    0.002539   13.992342    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982663    2.021201   13.975937    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.974615    2.018750   16.031257    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.985089   -0.021992   16.006971    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.991045   -0.036705   18.027319    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.015613    1.975328   18.182105    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.985208    3.967631    9.898558    ( 0.0000,  0.0000,  0.0000)
  32 Au     1.026083    6.032822    9.892623    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.993403    6.016680   11.983839    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.993958    4.004223   11.982024    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.997580    4.011596   13.998661    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.994966    5.996120   13.985340    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.989635    6.006536   16.008300    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.987649    4.031311   16.031986    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.077623    4.057100   18.140418    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.020923    6.038218   18.017143    ( 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 11:19:57  -118.026447  -2.75
iter:   2 11:20:42  -118.946080  -2.98  -2.69
iter:   3 11:21:28  -118.005543  -3.24  -2.24
iter:   4 11:22:13  -117.914132  -4.08  -2.70
iter:   5 11:22:57  -117.911948c -4.75  -3.29
iter:   6 11:23:44  -117.910078c -4.81  -3.32
iter:   7 11:24:30  -117.909526c -5.09  -3.54
iter:   8 11:25:17  -117.909576c -5.57  -3.65
iter:   9 11:26:04  -117.909653c -5.74  -3.78
iter:  10 11:26:52  -117.909154c -5.77  -3.90
iter:  11 11:27:39  -117.909553c -6.11  -3.74
iter:  12 11:28:26  -117.909334c -6.43  -4.03c
iter:  13 11:29:13  -117.909278c -6.66  -4.23c
iter:  14 11:30:00  -117.909213c -6.65  -4.37c
iter:  15 11:30:47  -117.909217c -7.07  -4.47c
iter:  16 11:31:33  -117.909232c -7.32  -4.56c
iter:  17 11:32:20  -117.909094c -7.60c -4.60c

Converged after 17 iterations.

Dipole moment: (-1.422090, 2.383411, 0.050469) |e|*Ang

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

Kinetic:       -205.347354
Potential:      +31.610485
External:        +0.000000
XC:             +59.778112
Entropy (-ST):   -2.210829
Local:           -2.844921
--------------------------
Free energy:   -119.014508
Extrapolated:  -117.909094

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37363    1.46739
  0   304     -0.34026    1.32736
  0   305     -0.29886    1.13207
  0   306     -0.27991    1.03808

  1   303     -0.30664    1.17011
  1   304     -0.29976    1.13652
  1   305     -0.27403    1.00871
  1   306     -0.22362    0.76138


Fermi level: -0.27229

No gap

Forces in eV/Ang:
  0 Pd   -0.00838   -0.00019    0.00628
  1 Pd    0.00655    0.00751    0.00436
  2 Pd    0.00095   -0.00439    0.02184
  3 Pd    0.00155   -0.00317    0.02327
  4 Pd   -0.00817   -0.00034    0.01175
  5 Pd    0.02214    0.01737    0.06799
  6 Au    0.00464    0.00058   -0.00025
  7 Pd    0.01681    0.00061   -0.01415
  8 Pd    0.01473    0.00366   -0.01049
  9 Pd    0.00782    0.00332   -0.00198
 10 Pd   -0.00793   -0.00577   -0.02507
 11 Pd    0.01402    0.00090   -0.02877
 12 Pd   -0.00130   -0.00335    0.01327
 13 Pd    0.00210   -0.00177    0.00637
 14 Pd   -0.00191   -0.00041    0.02370
 15 Pd    0.02493   -0.02627    0.00083
 16 Pd   -0.00737    0.01384   -0.01280
 17 Pd   -0.00101    0.00073    0.01612
 18 Pd   -0.02240   -0.01019   -0.02029
 19 Pd    0.00810   -0.01446   -0.03804
 20 Au   -0.02850    0.00480    0.01327
 21 Pd    0.00178   -0.00340   -0.02360
 22 Pd   -0.00333   -0.00147   -0.01674
 23 Pd    0.00571   -0.00019    0.00219
 24 Pd   -0.00041    0.01815    0.01090
 25 Pd    0.01028   -0.00483    0.00472
 26 Pd   -0.01623    0.01741   -0.02118
 27 Au   -0.00146   -0.00635    0.00174
 28 Au    0.00606   -0.01851   -0.01631
 29 Pd    0.01056   -0.00187    0.00948
 30 Au   -0.01194   -0.02632    0.02955
 31 Au   -0.00198   -0.00626   -0.03113
 32 Au   -0.00092    0.00368   -0.03526
 33 Au   -0.01261    0.00768    0.01206
 34 Pd    0.00592   -0.01522    0.01876
 35 Pd    0.00329    0.00582    0.03196
 36 Pd   -0.02059   -0.00847    0.05249
 37 Pd    0.01707    0.00619    0.01407
 38 Pd   -0.00926    0.02299   -0.00961
 39 Au    0.00114    0.00075    0.02534
 40 Pd   -0.01322    0.02824   -0.00973

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.006522    0.020684   10.034937    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.971519    1.988350   10.038884    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.987478    2.004530   12.015449    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.983653    0.004376   12.007557    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.000107   -0.012176   13.974709    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.995636    2.016721   13.970644    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.014530    2.018328   16.019912    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.991796   -0.025886   16.022646    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.003873   -0.030996   18.039472    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.984288    1.945656   18.063887    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.004342    3.989493   10.036302    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.954405    6.027237   10.013779    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.992258    6.016083   12.002182    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.980227    4.005909   11.995977    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.984571    4.022223   13.991658    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.983491    6.006298   14.024458    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.996993    6.008097   16.004128    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.991123    4.038249   16.044334    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.926747    4.044758   18.028341    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.977587    6.068449   18.016252    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.917509    4.018668   19.905680    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.985785    0.040782   10.020173    ( 0.0000,  0.0000,  0.0000)
  22 Pd     1.007035    1.988139   10.043531    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.998237    2.005375   12.002035    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.992659    0.006146   11.999940    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.984295    0.002025   13.992694    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.979937    2.023936   13.974372    ( 0.0000,  0.0000,  0.0000)
  27 Au     6.976292    2.019973   16.036655    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.985616   -0.020194   16.004110    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.994021   -0.038804   18.028236    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.015997    1.967522   18.193941    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.984615    3.965644    9.888529    ( 0.0000,  0.0000,  0.0000)
  32 Au     1.027079    6.033860    9.881725    ( 0.0000,  0.0000,  0.0000)
  33 Au     6.994016    6.015404   11.979965    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.992407    4.004827   11.980040    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.997993    4.012402   14.002086    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.991495    5.994386   13.990245    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.992362    6.005717   16.010223    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.985144    4.031600   16.032914    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.084069    4.058988   18.149983    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.021978    6.045556   18.016166    ( 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 11:33:30  -117.924842  -3.30
iter:   2 11:34:16  -117.920040  -4.15  -3.12
iter:   3 11:35:03  -117.943403c -4.46  -3.33
iter:   4 11:35:48  -117.914633c -4.83  -2.90
iter:   5 11:36:27  -117.913916c -5.39  -3.53
iter:   6 11:37:10  -117.913631c -5.55  -3.55
iter:   7 11:37:57  -117.913428c -5.62  -3.68
iter:   8 11:38:44  -117.913487c -6.01  -3.85
iter:   9 11:39:31  -117.913283c -6.37  -4.06c
iter:  10 11:40:18  -117.913780c -6.31  -4.08c
iter:  11 11:41:05  -117.913458c -6.78  -4.06c
iter:  12 11:41:51  -117.913495c -6.96  -4.35c
iter:  13 11:42:37  -117.913430c -7.00  -4.44c
iter:  14 11:43:22  -117.913432c -7.39  -4.70c
iter:  15 11:44:07  -117.913416c -7.61c -4.74c

Converged after 15 iterations.

Dipole moment: (-1.317767, 2.377074, 0.051230) |e|*Ang

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

Kinetic:       -206.451801
Potential:      +32.533923
External:        +0.000000
XC:             +59.958516
Entropy (-ST):   -2.208621
Local:           -2.849743
--------------------------
Free energy:   -119.017727
Extrapolated:  -117.913416

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37600    1.46822
  0   304     -0.34276    1.32887
  0   305     -0.30179    1.13587
  0   306     -0.28166    1.03605

  1   303     -0.30844    1.16832
  1   304     -0.30196    1.13668
  1   305     -0.27658    1.01069
  1   306     -0.22475    0.75651


Fermi level: -0.27445

No gap

Forces in eV/Ang:
  0 Pd   -0.00229   -0.00475    0.00968
  1 Pd    0.00489    0.00146    0.00425
  2 Pd    0.01431    0.00549    0.00817
  3 Pd   -0.00101    0.00610    0.01189
  4 Pd    0.00792   -0.00523   -0.00311
  5 Pd    0.00925    0.00714    0.01698
  6 Au   -0.00482    0.00201   -0.00142
  7 Pd    0.01135   -0.00629   -0.00777
  8 Pd    0.01711    0.00298   -0.01708
  9 Pd    0.00762    0.01255   -0.00128
 10 Pd   -0.00798   -0.00004   -0.01230
 11 Pd    0.00883    0.00084   -0.01486
 12 Pd   -0.00079   -0.00719    0.00595
 13 Pd   -0.00967   -0.00795    0.00363
 14 Pd    0.00378    0.00273    0.00867
 15 Pd    0.00436   -0.00805    0.00735
 16 Pd    0.00686    0.00445   -0.00445
 17 Pd   -0.00416    0.00080    0.00519
 18 Pd   -0.01131   -0.00783   -0.01256
 19 Pd    0.00394   -0.01844   -0.02526
 20 Au   -0.01048    0.00402    0.00741
 21 Pd   -0.00003   -0.00657   -0.01677
 22 Pd   -0.00412    0.00392   -0.01641
 23 Pd   -0.00882   -0.00163   -0.00233
 24 Pd   -0.00198    0.00098    0.00183
 25 Pd    0.00293   -0.00242   -0.00358
 26 Pd   -0.00579    0.00905   -0.00598
 27 Au    0.00929   -0.00596    0.00485
 28 Au    0.00300   -0.00124   -0.00411
 29 Pd   -0.00202    0.00381    0.00721
 30 Au   -0.01392   -0.00746    0.00281
 31 Au    0.00463    0.00101   -0.00840
 32 Au   -0.00434   -0.00168   -0.00467
 33 Au    0.00068    0.00544    0.00575
 34 Pd    0.00796    0.00011    0.00422
 35 Pd   -0.00124    0.00155    0.01118
 36 Pd   -0.00674   -0.00324    0.00184
 37 Pd    0.00009    0.00913    0.01295
 38 Pd   -0.00120    0.00639    0.00671
 39 Au   -0.01310   -0.00799    0.01342
 40 Pd   -0.00900    0.00872   -0.00671

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    17.629    17.629   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                     84.552    84.552   1.5% ||
Hamiltonian:                                11.082     0.078   0.0% |
 Atomic:                                     1.808     0.970   0.0% |
  XC Correction:                             0.838     0.838   0.0% |
 Calculate atomic Hamiltonians:              5.934     5.934   0.1% |
 Communicate:                                0.001     0.001   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.048     0.048   0.0% |
 XC 3D grid:                                 3.213     3.213   0.1% |
LCAO initialization:                        57.223     0.374   0.0% |
 LCAO eigensolver:                           5.292     0.001   0.0% |
  Calculate projections:                     0.034     0.034   0.0% |
  DenseAtomicCorrection:                     0.032     0.032   0.0% |
  Distribute overlap matrix:                 0.006     0.006   0.0% |
  Orbital Layouts:                           0.336     0.336   0.0% |
  Potential matrix:                          4.852     4.852   0.1% |
  Sum over cells:                            0.031     0.031   0.0% |
 LCAO to grid:                              50.292    50.292   0.9% |
 Set positions (LCAO WFS):                   1.264     0.307   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.664     0.664   0.0% |
  ST tci:                                    0.227     0.227   0.0% |
  mktci:                                     0.065     0.065   0.0% |
PWDescriptor:                                0.454     0.454   0.0% |
Redistribute:                                0.035     0.035   0.0% |
SCF-cycle:                                5341.731   181.459   3.3% ||
 Davidson:                                4509.093   884.364  16.0% |-----|
  Apply H:                                 439.972   430.418   7.8% |--|
   HMM T:                                    9.554     9.554   0.2% |
  Subspace diag:                           763.940     0.031   0.0% |
   calc_h_matrix:                          558.781   126.379   2.3% ||
    Apply H:                               432.401   422.683   7.6% |--|
     HMM T:                                  9.718     9.718   0.2% |
   diagonalize:                             14.422    14.422   0.3% |
   rotate_psi:                             190.706   190.706   3.4% ||
  calc. matrices:                         1634.338   766.766  13.8% |-----|
   Apply H:                                867.572   848.617  15.3% |-----|
    HMM T:                                  18.956    18.956   0.3% |
  diagonalize:                             416.254   416.254   7.5% |--|
  rotate_psi:                              370.225   370.225   6.7% |--|
 Density:                                  402.237     0.006   0.0% |
  Atomic density matrices:                   1.453     1.453   0.0% |
  Mix:                                     159.717   159.717   2.9% ||
  Multipole moments:                         0.103     0.103   0.0% |
  Pseudo density:                          240.958   240.951   4.3% |-|
   Symmetrize density:                       0.006     0.006   0.0% |
 Hamiltonian:                              231.344     1.485   0.0% |
  Atomic:                                   40.793    23.520   0.4% |
   XC Correction:                           17.273    17.273   0.3% |
  Calculate atomic Hamiltonians:           123.850   123.850   2.2% ||
  Communicate:                               0.111     0.111   0.0% |
  Poisson:                                   0.978     0.978   0.0% |
  XC 3D grid:                               64.127    64.127   1.2% |
 Orthonormalize:                            17.598     0.003   0.0% |
  calc_s_matrix:                             2.761     2.761   0.0% |
  inverse-cholesky:                          0.298     0.298   0.0% |
  projections:                               9.979     9.979   0.2% |
  rotate_psi_s:                              4.557     4.557   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      28.405    28.405   0.5% |
-------------------------------------------------------------------
Total:                                              5541.113 100.0%

Memory usage: 1.01 GiB
Date: Mon Mar 27 11:44:23 2023
