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

User:   lacmarco@node027.cluster
Date:   Mon Mar 27 10:01:03 2023
Arch:   x86_64
Pid:    85723
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: 182.09 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       |  
 |    |    Au        Au   |  
 |    |                   |  
 |   Pd     Pd Pd     Pd  |  
 |    PdPd      AuPd      |  
 |    |Au Pd     Pd Pd    |  
 | Pd |    AuPd      Pd   |  
 |   Pd     Pd Pd     Pd  |  
 |    |                   |  
 |    PdPd      PdAu      |  
 |    |Pd Au     Pd Pd    |  
 | Pd |    PdPd      Pd   |  
 |   Au        Pd         |  
 |    |                   |  
 |    | Pd        Pd      |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    .-------------------.  
 |   /                   /   
 |  /                   /    
 | /                   /     
 |/                   /      
 *-------------------*       

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

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:02:52  -152.163751
iter:   2 10:03:28  -142.120109  -1.29  -1.20
iter:   3 10:04:05  -157.314122  -1.35  -1.27
iter:   4 10:04:42  -136.544279  -1.36  -1.22
iter:   5 10:05:19  -127.020471  -0.70  -1.34
iter:   6 10:05:54  -120.987275  -1.78  -1.69
iter:   7 10:06:31  -118.974807  -2.13  -1.79
iter:   8 10:07:09  -119.032280  -2.01  -1.88
iter:   9 10:07:45  -118.008889  -2.70  -1.98
iter:  10 10:08:22  -118.253784  -2.67  -2.06
iter:  11 10:08:59  -117.888922  -2.82  -2.12
iter:  12 10:09:34  -117.460683  -2.87  -2.22
iter:  13 10:10:12  -117.390100  -3.14  -2.42
iter:  14 10:10:48  -117.419094c -3.16  -2.53
iter:  15 10:11:24  -117.287739c -3.87  -2.53
iter:  16 10:11:59  -117.275595c -4.21  -2.74
iter:  17 10:12:37  -117.265552c -4.21  -2.84
iter:  18 10:13:17  -117.262129c -4.10  -2.86
iter:  19 10:13:59  -117.260493c -4.74  -3.00
iter:  20 10:14:41  -117.259598c -4.80  -3.08
iter:  21 10:15:22  -117.259841c -5.12  -3.27
iter:  22 10:16:03  -117.262401c -5.32  -3.43
iter:  23 10:16:43  -117.259068c -5.34  -3.38
iter:  24 10:17:27  -117.258174c -5.76  -3.59
iter:  25 10:18:11  -117.258024c -6.29  -3.95
iter:  26 10:18:52  -117.258015c -6.56  -4.03c
iter:  27 10:19:33  -117.258056c -6.89  -4.16c
iter:  28 10:20:14  -117.258121c -6.92  -4.25c
iter:  29 10:20:56  -117.258273c -7.12  -4.27c
iter:  30 10:21:36  -117.258208c -7.39  -4.23c
iter:  31 10:22:20  -117.258240c -7.43c -4.36c

Converged after 31 iterations.

Dipole moment: (-3.889497, -0.020551, 0.056099) |e|*Ang

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

Kinetic:       -188.090131
Potential:      +18.055280
External:        +0.000000
XC:             +56.708943
Entropy (-ST):   -2.192758
Local:           -2.835953
--------------------------
Free energy:   -118.354618
Extrapolated:  -117.258240

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.32201    1.36425
  0   304     -0.30337    1.28085
  0   305     -0.27428    1.14216
  0   306     -0.24907    1.01711

  1   303     -0.29440    1.23904
  1   304     -0.27357    1.13871
  1   305     -0.25279    1.03567
  1   306     -0.20861    0.81688


Fermi level: -0.24565

No gap

Forces in eV/Ang:
  0 Pd    0.08127   -0.19690    0.03893
  1 Pd    0.13559   -0.00311    0.14404
  2 Au    0.21558   -0.17748   -0.11101
  3 Pd    0.01141   -0.13667   -0.20161
  4 Pd    0.14498    0.01316    0.15363
  5 Pd    0.13213   -0.12393   -0.03016
  6 Pd   -0.16656   -0.44210    0.06467
  7 Pd   -0.13177   -0.00408    0.30919
  8 Pd   -0.02338    0.00289   -0.22979
  9 Pd    0.00033   -0.46326    0.13185
 10 Pd    0.08406    0.21850    0.03704
 11 Pd   -0.00563    0.00438    0.24724
 12 Pd    0.13141    0.12395   -0.34286
 13 Pd    0.25517    0.13943   -0.26028
 14 Au   -0.00790   -0.00442   -0.01236
 15 Pd   -0.00358    0.13245   -0.20019
 16 Pd   -0.04853    0.42284    0.16805
 17 Au    0.16648    0.00562   -0.25686
 18 Au   -0.47500    0.00238    0.59688
 19 Pd   -0.00516    0.44232    0.15562
 20 Au    0.01450    0.00624   -0.32686
 21 Pd   -0.09686   -0.08234    0.14597
 22 Au   -0.17960    0.00379   -0.48007
 23 Pd   -0.16321    0.12049   -0.07693
 24 Pd   -0.00572   -0.17607   -0.20903
 25 Au   -0.17774    0.17830    0.01445
 26 Pd   -0.13450    0.00742    0.13747
 27 Pd    0.15808   -0.19323    0.04176
 28 Pd    0.12544    0.11239    0.31432
 29 Pd    0.02779    0.00888   -0.22303
 30 Pd    0.00063   -0.22893   -0.16928
 31 Pd   -0.07682    0.06982    0.17377
 32 Pd    0.00830   -0.01653    0.21427
 33 Pd   -0.13341   -0.10705   -0.32834
 34 Pd   -0.23632    0.17891   -0.21023
 35 Pd   -0.00047   -0.15133   -0.15933
 36 Au    0.00172    0.00295   -0.01518
 37 Pd    0.04067    0.19565    0.15334
 38 Pd   -0.11220   -0.11657    0.20455
 39 Au    0.45242   -0.00329    0.58392
 40 Pd    0.00646    0.23381   -0.13062

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.996336   -0.019690   10.003893    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.007216    2.005137   10.014404    ( 0.0000,  0.0000,  0.0000)
   2 Au     3.009767    1.987700   11.994346    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.994798   -0.013667   11.985286    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.002707    0.001316   14.026257    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.006869    1.993055   14.007879    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.971553    1.961237   16.022810    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.980479   -0.000408   16.047261    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.985871    0.000289   17.998810    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993690    1.959122   18.034974    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.996615    4.032745   10.003704    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.993094    6.016780   10.024724    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.001350    6.028738   11.971162    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.019174    4.024837   11.979419    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.987419    4.010453   14.009658    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993298    6.029587   13.990876    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.983356    6.058626   16.033147    ( 0.0000,  0.0000,  0.0000)
  17 Au     5.010305    4.011456   15.990656    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.940709    4.011133   18.081478    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993140    6.060574   18.037352    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.995106    4.011519   19.994551    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.989418   -0.008234   10.014597    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.964802    2.005826    9.951993    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.982782    2.017496   11.997754    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.982189   -0.017607   11.984544    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.981329    0.017830   14.012340    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.969312    2.006190   14.024642    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.014912    1.986124   16.020518    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.995306    0.011239   16.047774    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.001883    0.000888   17.999486    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.982825    1.982554   18.004862    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.991422    4.017877   10.017377    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.983592    6.014689   10.021427    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.985763    6.005637   11.972614    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.959129    4.028785   11.984425    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.999057    3.995762   13.994962    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.982933    6.016637   14.009377    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.003171    6.035908   16.031676    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.971542    3.999238   16.036797    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.044345    4.010565   18.080181    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.983408    6.039723   18.008728    ( 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 10:23:32  -125.568315  -1.40
iter:   2 10:24:19  -164.354428  -1.15  -1.78
iter:   3 10:25:02  -121.669051  -1.70  -1.41
iter:   4 10:25:48  -118.232883  -2.15  -2.00
iter:   5 10:26:30  -117.805307  -2.93  -2.29
iter:   6 10:27:16  -118.216148  -2.80  -2.42
iter:   7 10:28:01  -117.551775  -3.32  -2.25
iter:   8 10:28:45  -117.526326  -4.09  -2.72
iter:   9 10:29:28  -117.511872c -3.66  -2.81
iter:  10 10:30:12  -117.508554c -4.20  -2.97
iter:  11 10:30:55  -117.507022c -4.86  -3.06
iter:  12 10:31:39  -117.503668c -4.36  -3.11
iter:  13 10:32:23  -117.547577c -4.58  -3.30
iter:  14 10:33:05  -117.504582c -4.63  -2.86
iter:  15 10:33:49  -117.503529c -5.26  -3.42
iter:  16 10:34:33  -117.503445c -5.24  -3.61
iter:  17 10:35:18  -117.503145c -5.62  -3.72
iter:  18 10:36:01  -117.502891c -5.77  -3.80
iter:  19 10:36:45  -117.503201c -6.19  -3.93
iter:  20 10:37:27  -117.502761c -6.17  -3.86
iter:  21 10:38:10  -117.502757c -6.36  -3.92
iter:  22 10:38:53  -117.502759c -6.81  -4.25c
iter:  23 10:39:36  -117.502800c -6.72  -4.35c
iter:  24 10:40:18  -117.502795c -7.18  -4.66c
iter:  25 10:41:01  -117.502785c -7.45c -4.76c

Converged after 25 iterations.

Dipole moment: (-4.319627, 1.266845, 0.051571) |e|*Ang

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

Kinetic:       -192.945130
Potential:      +22.079916
External:        +0.000000
XC:             +57.315493
Entropy (-ST):   -2.201905
Local:           -2.852111
--------------------------
Free energy:   -118.603737
Extrapolated:  -117.502785

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.32882    1.37151
  0   304     -0.30301    1.25537
  0   305     -0.27978    1.14396
  0   306     -0.24825    0.98732

  1   303     -0.29977    1.24016
  1   304     -0.28035    1.14678
  1   305     -0.25427    1.01745
  1   306     -0.21823    0.83869


Fermi level: -0.25078

No gap

Forces in eV/Ang:
  0 Pd    0.01256   -0.04549   -0.09169
  1 Pd    0.07460   -0.00664    0.00138
  2 Au   -0.11037    0.02652   -0.06336
  3 Pd    0.04191   -0.03461   -0.04425
  4 Pd    0.01642   -0.00230   -0.05048
  5 Pd   -0.03847   -0.00995   -0.00453
  6 Pd    0.05225    0.08797    0.04161
  7 Pd    0.03578   -0.00623    0.04513
  8 Pd   -0.02732    0.00654    0.09803
  9 Pd    0.00115   -0.06178    0.02494
 10 Pd    0.01120    0.03949    0.03654
 11 Pd    0.00690    0.01192   -0.03878
 12 Pd   -0.00013   -0.01253    0.02025
 13 Pd   -0.03966    0.01255   -0.00540
 14 Au   -0.02642   -0.01737   -0.04178
 15 Pd    0.00636    0.03633   -0.06763
 16 Pd    0.03143   -0.08334    0.07325
 17 Au   -0.00815    0.00506    0.26606
 18 Au   -0.11398   -0.00915    0.15810
 19 Pd   -0.00320    0.06260    0.07264
 20 Au    0.01148    0.00147   -0.25442
 21 Pd   -0.03958   -0.02056    0.02906
 22 Au   -0.03060    0.00126   -0.20431
 23 Pd    0.05666   -0.03473   -0.07215
 24 Pd   -0.03068    0.05012   -0.04122
 25 Au    0.03090   -0.07375   -0.05137
 26 Pd    0.02640   -0.01030   -0.10521
 27 Pd   -0.03636    0.03504    0.12614
 28 Pd   -0.05669   -0.04169   -0.06454
 29 Pd    0.02911    0.01127   -0.01941
 30 Pd   -0.00688   -0.16013    0.02742
 31 Pd   -0.02259    0.01211   -0.06913
 32 Pd   -0.00513   -0.00613    0.01787
 33 Pd    0.00532    0.06283    0.01989
 34 Pd    0.05172   -0.07220   -0.07667
 35 Pd    0.04221    0.01750   -0.03689
 36 Au   -0.04656    0.04950    0.00420
 37 Pd   -0.01029   -0.00129    0.03591
 38 Pd    0.00582    0.02247    0.08229
 39 Au    0.11734   -0.00977    0.26450
 40 Pd   -0.00458    0.16763   -0.01263

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.998877   -0.027519    9.994251    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.017416    2.004355   10.016585    ( 0.0000,  0.0000,  0.0000)
   2 Au     3.000537    1.988147   11.985742    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.999616   -0.019438   11.977528    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.006574    0.001246   14.022811    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.004455    1.990204   14.006951    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.975014    1.964786   16.028344    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.982600   -0.001158   16.056631    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.982506    0.001057   18.006469    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993822    1.945732   18.039602    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.999044    4.040211   10.008286    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.993781    6.018167   10.023897    ( 0.0000,  0.0000,  0.0000)
  12 Pd     3.003187    6.029091   11.968583    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.018360    4.028196   11.975154    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.984372    4.008460   14.004841    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993955    6.035489   13.980541    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.986166    6.055320   16.043654    ( 0.0000,  0.0000,  0.0000)
  17 Au     5.011743    4.012097   16.016606    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.921352    4.010149   18.107454    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.992711    6.073760   18.047616    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.996586    4.011770   19.961673    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.983655   -0.011678   10.019882    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.958872    2.006020    9.922525    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.986780    2.015333   11.988653    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.978699   -0.014518   11.977019    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.982261    0.012144   14.006835    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.970352    2.005149   14.014886    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.013097    1.987297   16.035124    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.990773    0.008188   16.045028    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.005510    0.002265   17.994188    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.982069    1.961535   18.005524    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.987830    4.020206   10.012141    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.983139    6.013775   10.026430    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.984475    6.011112   11.970200    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.961548    4.023281   11.972943    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.003741    3.995575   13.988618    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.977783    6.022180   14.009629    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.002600    6.038520   16.037826    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.970608    4.000093   16.048822    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.063757    4.009433   18.117801    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982990    6.061646   18.005485    ( 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 10:42:10  -118.838379  -2.25
iter:   2 10:42:53  -119.749417  -2.23  -2.14
iter:   3 10:43:38  -120.278807  -2.44  -2.09
iter:   4 10:44:21  -117.595778  -3.16  -2.02
iter:   5 10:45:03  -117.567238  -3.87  -2.92
iter:   6 10:45:47  -117.559628c -4.27  -3.02
iter:   7 10:46:33  -117.555474c -4.66  -3.16
iter:   8 10:47:17  -117.554410c -4.77  -3.27
iter:   9 10:48:00  -117.553505c -5.26  -3.40
iter:  10 10:48:44  -117.553884c -5.66  -3.49
iter:  11 10:49:29  -117.552970c -5.37  -3.53
iter:  12 10:50:15  -117.553004c -5.97  -3.81
iter:  13 10:50:58  -117.552953c -6.17  -3.89
iter:  14 10:51:40  -117.552743c -6.16  -3.99
iter:  15 10:52:24  -117.552916c -6.40  -4.09c
iter:  16 10:53:03  -117.552599c -6.65  -4.03c
iter:  17 10:53:43  -117.552632c -6.94  -4.22c
iter:  18 10:54:22  -117.552623c -7.03  -4.28c
iter:  19 10:55:03  -117.552618c -7.24  -4.36c
iter:  20 10:55:43  -117.552619c -7.20  -4.45c
iter:  21 10:56:21  -117.552572c -7.30  -4.57c
iter:  22 10:57:01  -117.552653c -7.63c -4.57c

Converged after 22 iterations.

Dipole moment: (-4.274129, 2.246435, 0.048570) |e|*Ang

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

Kinetic:       -195.318571
Potential:      +23.987634
External:        +0.000000
XC:             +57.736449
Entropy (-ST):   -2.199441
Local:           -2.858443
--------------------------
Free energy:   -118.652373
Extrapolated:  -117.552653

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.33455    1.38110
  0   304     -0.30749    1.25996
  0   305     -0.28253    1.14032
  0   306     -0.25136    0.98538

  1   303     -0.30562    1.25120
  1   304     -0.28476    1.15123
  1   305     -0.25718    1.01448
  1   306     -0.22328    0.84622


Fermi level: -0.25428

No gap

Forces in eV/Ang:
  0 Pd   -0.00405    0.00237   -0.05953
  1 Pd    0.01191   -0.00213   -0.00473
  2 Au   -0.03772   -0.02040   -0.09153
  3 Pd   -0.03506    0.05463   -0.00534
  4 Pd   -0.00565   -0.00211   -0.02452
  5 Pd   -0.00115    0.03763    0.00855
  6 Pd    0.02211    0.07871    0.01509
  7 Pd    0.00683   -0.01065   -0.04565
  8 Pd   -0.01544    0.01079    0.07425
  9 Pd   -0.00874   -0.02213    0.01690
 10 Pd    0.00632   -0.00265   -0.00848
 11 Pd    0.00802   -0.00394   -0.07479
 12 Pd   -0.04122    0.00696    0.05342
 13 Pd   -0.02161   -0.03524    0.03287
 14 Au    0.02110    0.02265    0.04146
 15 Pd   -0.01529   -0.06206    0.05280
 16 Pd    0.03354   -0.08925   -0.00171
 17 Au    0.00164    0.02445    0.13138
 18 Au   -0.12609   -0.00833    0.05693
 19 Pd    0.00591    0.03084    0.03047
 20 Au   -0.01378   -0.00500   -0.06096
 21 Pd   -0.00108   -0.01102   -0.04156
 22 Au   -0.00043   -0.01081   -0.13930
 23 Pd    0.04155   -0.00738   -0.02462
 24 Pd    0.01991    0.04981   -0.04611
 25 Au    0.00126    0.03670    0.00927
 26 Pd   -0.00357   -0.01152   -0.01265
 27 Pd   -0.02473    0.06957    0.00096
 28 Pd    0.01262    0.01005   -0.12901
 29 Pd    0.00620   -0.00168    0.05117
 30 Pd    0.01063   -0.08735    0.03818
 31 Pd   -0.00827    0.01789   -0.05756
 32 Pd   -0.01072    0.00177   -0.01214
 33 Pd    0.04157   -0.01889    0.01999
 34 Pd    0.01541   -0.03530   -0.03428
 35 Pd   -0.02316   -0.00102    0.03340
 36 Au    0.03209   -0.02655   -0.00616
 37 Pd   -0.04510   -0.08601    0.01719
 38 Pd   -0.00293    0.01049    0.04040
 39 Au    0.15509    0.01009    0.09363
 40 Pd   -0.00590    0.08550    0.02705

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.000311   -0.033077    9.979915    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.025976    2.003569   10.018285    ( 0.0000,  0.0000,  0.0000)
   2 Au     2.991516    1.983506   11.965464    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.996649   -0.014966   11.970727    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.009030    0.000988   14.018427    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.004178    1.993614   14.007558    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.978904    1.975327   16.034294    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.983636   -0.003304   16.057070    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.978027    0.003224   18.020392    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.992491    1.930878   18.045967    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.002109    4.045726   10.009693    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.995384    6.018311   10.013674    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.998727    6.031515   11.972699    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.016759    4.025580   11.975817    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.986069    4.010998   14.008828    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.991815    6.029855   13.981721    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.992609    6.043042   16.050482    ( 0.0000,  0.0000,  0.0000)
  17 Au     5.014274    4.016415   16.049187    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.886522    4.008310   18.135795    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993386    6.089716   18.059371    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.995289    4.011157   19.931452    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.979544   -0.016022   10.017334    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.954030    2.004421    9.880153    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.994107    2.014086   11.979165    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.979989   -0.006464   11.963725    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.981354    0.016625   14.005528    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.969117    2.002813   14.008908    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.009588    1.997352   16.043420    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.991522    0.009195   16.025683    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.008684    0.002807   17.997578    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.983380    1.934264   18.010481    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.983899    4.024949   10.001680    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.981251    6.013424   10.029073    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.989265    6.010023   11.969166    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.963176    4.016300   11.959436    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.002507    3.993946   13.989173    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.980214    6.020889   14.008638    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.995420    6.027859   16.045240    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.968628    4.001181   16.063550    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.103070    4.010421   18.158108    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.981878    6.089144   18.006927    ( 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 10:58:00  -118.632847  -2.22
iter:   2 10:58:40  -119.138744  -2.24  -2.16
iter:   3 10:59:19  -119.971231  -2.54  -2.17
iter:   4 10:59:58  -117.626052  -3.17  -2.04
iter:   5 11:00:36  -117.603367  -4.13  -2.94
iter:   6 11:01:15  -117.594911c -4.33  -3.05
iter:   7 11:01:55  -117.591950c -4.48  -3.19
iter:   8 11:02:35  -117.591076c -5.01  -3.37
iter:   9 11:03:16  -117.594454c -5.39  -3.47
iter:  10 11:03:58  -117.591706c -5.41  -3.36
iter:  11 11:04:38  -117.591002c -5.34  -3.50
iter:  12 11:05:19  -117.590885c -5.92  -3.79
iter:  13 11:05:59  -117.590675c -6.13  -3.95
iter:  14 11:06:39  -117.590504c -6.10  -4.06c
iter:  15 11:07:21  -117.590330c -6.35  -4.20c
iter:  16 11:08:03  -117.590400c -6.89  -4.12c
iter:  17 11:08:46  -117.590338c -7.20  -4.26c
iter:  18 11:09:28  -117.590316c -6.83  -4.36c
iter:  19 11:10:11  -117.590329c -7.30  -4.52c
iter:  20 11:10:49  -117.590339c -7.53c -4.64c

Converged after 20 iterations.

Dipole moment: (-3.856140, 1.852425, 0.040551) |e|*Ang

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

Kinetic:       -199.654495
Potential:      +27.536595
External:        +0.000000
XC:             +58.488274
Entropy (-ST):   -2.193099
Local:           -2.864163
--------------------------
Free energy:   -118.686889
Extrapolated:  -117.590339

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34631    1.39902
  0   304     -0.31829    1.27507
  0   305     -0.29017    1.14082
  0   306     -0.25963    0.98905

  1   303     -0.31731    1.27055
  1   304     -0.29426    1.16080
  1   305     -0.26508    1.01631
  1   306     -0.23193    0.85167


Fermi level: -0.26182

No gap

Forces in eV/Ang:
  0 Pd   -0.00740   -0.00063   -0.04233
  1 Pd   -0.01320    0.01132   -0.03181
  2 Au   -0.00621    0.02602   -0.00368
  3 Pd   -0.01428    0.00188    0.03700
  4 Pd    0.00027    0.02435    0.00108
  5 Pd   -0.02514    0.05474    0.00899
  6 Pd    0.00735    0.02131    0.00617
  7 Pd   -0.02017    0.00279   -0.04850
  8 Pd    0.00368   -0.00511   -0.00846
  9 Pd    0.00113    0.02225   -0.00129
 10 Pd    0.00438   -0.01016   -0.02764
 11 Pd   -0.00480   -0.01015   -0.01075
 12 Pd    0.00312    0.00520    0.00602
 13 Pd   -0.00910   -0.01757    0.01941
 14 Au    0.01003   -0.05346    0.01992
 15 Pd    0.02396   -0.02880    0.04404
 16 Pd   -0.00410   -0.00658    0.01910
 17 Au   -0.00745   -0.02067    0.08424
 18 Au   -0.05920    0.00260    0.00174
 19 Pd    0.00028   -0.00470    0.00628
 20 Au   -0.02174   -0.00943    0.05034
 21 Pd    0.01408   -0.00734   -0.04891
 22 Au    0.00316   -0.00060   -0.05344
 23 Pd    0.03020    0.01302   -0.01272
 24 Pd   -0.00034    0.01341   -0.01129
 25 Au   -0.01829   -0.01228    0.00584
 26 Pd    0.02973    0.04026    0.01467
 27 Pd   -0.00773    0.03438   -0.00201
 28 Pd    0.03067    0.00404   -0.05451
 29 Pd   -0.00440   -0.00027    0.01945
 30 Pd    0.00251   -0.04597    0.02138
 31 Pd    0.00020    0.00369   -0.02786
 32 Pd    0.00094    0.00425   -0.03622
 33 Pd   -0.00683   -0.01068    0.03863
 34 Pd    0.00345   -0.03216    0.01761
 35 Pd   -0.01686   -0.00002    0.04060
 36 Au   -0.01100   -0.03392   -0.00348
 37 Pd    0.00805   -0.02693   -0.00526
 38 Pd    0.00061   -0.00091   -0.01410
 39 Au    0.08199    0.00208    0.00031
 40 Pd    0.00617    0.05218    0.01949

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.000213   -0.036151    9.969162    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.028145    2.004796   10.014982    ( 0.0000,  0.0000,  0.0000)
   2 Au     2.987432    1.985638   11.958397    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.994742   -0.014783   11.972497    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.010567    0.004271   14.017263    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.000556    2.001249   14.008732    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.981075    1.980508   16.037599    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.981199   -0.003575   16.052627    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.976854    0.003185   18.023402    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.992339    1.927241   18.048346    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.004011    4.047301   10.007050    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.995219    6.017183   10.010051    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.998606    6.033127   11.973447    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.015503    4.023337   11.977447    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.987366    4.003988   14.011756    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.994662    6.025716   13.986019    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.993978    6.039447   16.056758    ( 0.0000,  0.0000,  0.0000)
  17 Au     5.014435    4.014762   16.072284    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.865864    4.008063   18.148273    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993513    6.095951   18.065043    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.992256    4.009767   19.925097    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.979363   -0.018800   10.011134    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.951983    2.003982    9.856833    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.000343    2.015462   11.973509    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.979702   -0.002515   11.957310    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.978418    0.015516   14.005173    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.972774    2.007598   14.008191    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.007698    2.004329   16.047558    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.995444    0.009743   16.013661    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.009487    0.003137   17.999799    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.983930    1.917511   18.014392    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.982242    4.027126    9.994821    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.980861    6.013744   10.025980    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.989041    6.008937   11.973161    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.963955    4.009677   11.956302    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.000629    3.993211   13.993553    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.978505    6.016802   14.007926    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.994745    6.022349   16.047616    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.967853    4.001225   16.067539    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.127914    4.010766   18.175134    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982396    6.106955   18.009181    ( 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 11:11:51  -117.871184  -2.75
iter:   2 11:12:35  -119.989742  -2.66  -2.48
iter:   3 11:13:17  -117.839884  -2.91  -2.06
iter:   4 11:13:59  -117.609748  -3.82  -2.54
iter:   5 11:14:39  -117.606406c -4.41  -3.23
iter:   6 11:15:21  -117.602712c -4.89  -3.22
iter:   7 11:16:07  -117.601784c -5.06  -3.48
iter:   8 11:16:54  -117.601418c -5.41  -3.59
iter:   9 11:17:37  -117.601650c -5.67  -3.72
iter:  10 11:18:23  -117.601774c -5.92  -3.85
iter:  11 11:19:09  -117.601443c -6.04  -3.68
iter:  12 11:19:55  -117.601320c -6.54  -4.07c
iter:  13 11:20:41  -117.601200c -6.58  -4.22c
iter:  14 11:21:28  -117.601109c -6.70  -4.36c
iter:  15 11:22:15  -117.601084c -7.28  -4.57c
iter:  16 11:23:01  -117.601105c -7.66c -4.66c

Converged after 16 iterations.

Dipole moment: (-3.505292, 1.801318, 0.037980) |e|*Ang

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

Kinetic:       -202.747943
Potential:      +30.123149
External:        +0.000000
XC:             +58.989484
Entropy (-ST):   -2.189186
Local:           -2.871202
--------------------------
Free energy:   -118.695698
Extrapolated:  -117.601105

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.35453    1.41120
  0   304     -0.32574    1.28501
  0   305     -0.29597    1.14329
  0   306     -0.26555    0.99218

  1   303     -0.32449    1.27923
  1   304     -0.30139    1.16969
  1   305     -0.27097    1.01926
  1   306     -0.23757    0.85335


Fermi level: -0.26712

No gap

Forces in eV/Ang:
  0 Pd    0.00150    0.00968   -0.01658
  1 Pd   -0.01923    0.00014   -0.02491
  2 Au    0.01431   -0.00963   -0.02160
  3 Pd   -0.00394    0.01663    0.00652
  4 Pd   -0.00959    0.00019   -0.00475
  5 Pd    0.02013    0.01512    0.00189
  6 Pd   -0.00851   -0.00685    0.02290
  7 Pd    0.00010    0.00952   -0.01588
  8 Pd    0.02890    0.00305   -0.01446
  9 Pd    0.00321    0.01574    0.01120
 10 Pd   -0.00155   -0.00637   -0.03616
 11 Pd    0.00147   -0.00557    0.00059
 12 Pd   -0.00332   -0.00959    0.00869
 13 Pd    0.00631   -0.00302   -0.00089
 14 Au    0.01616    0.02832    0.02390
 15 Pd   -0.01539   -0.04148    0.04253
 16 Pd   -0.01196   -0.00615   -0.01696
 17 Au   -0.01515    0.00317    0.03131
 18 Au   -0.01466    0.00501    0.00083
 19 Pd    0.00809   -0.01553    0.00485
 20 Au   -0.00773   -0.00684    0.03226
 21 Pd   -0.00044   -0.01032   -0.03006
 22 Au    0.01232    0.00283   -0.00946
 23 Pd   -0.00354   -0.00295    0.00078
 24 Pd   -0.00216   -0.00656    0.00542
 25 Au    0.00393    0.03489    0.00949
 26 Pd   -0.01666   -0.00117    0.02138
 27 Pd    0.01170   -0.01987   -0.01493
 28 Pd   -0.00009    0.01025   -0.02527
 29 Pd   -0.02391    0.00040   -0.00834
 30 Pd    0.00240   -0.01680    0.01096
 31 Pd    0.00260    0.01032   -0.01114
 32 Pd   -0.00228   -0.00757   -0.02302
 33 Pd   -0.00179   -0.01329   -0.00310
 34 Pd   -0.00629    0.01428    0.00252
 35 Pd   -0.02111   -0.01044    0.02822
 36 Au    0.02373   -0.02142   -0.01527
 37 Pd    0.01421    0.00619    0.01010
 38 Pd    0.01185    0.00191   -0.01397
 39 Au    0.00883    0.00714    0.00225
 40 Pd    0.00086    0.01953    0.01936

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.000526   -0.036317    9.963459    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.027065    2.005107   10.011061    ( 0.0000,  0.0000,  0.0000)
   2 Au     2.987275    1.985271   11.953399    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.994194   -0.013204   11.973343    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.010042    0.005216   14.016042    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.001736    2.005024   14.009220    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.980962    1.981483   16.041707    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.980760   -0.002503   16.050074    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.979882    0.003577   18.023015    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.992728    1.927479   18.050626    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.004473    4.047408   10.002202    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.995388    6.016295   10.009084    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.998338    6.032321   11.974605    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.015750    4.022603   11.977543    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.989429    4.005277   14.015039    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993669    6.019986   13.991647    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.993045    6.037381   16.057162    ( 0.0000,  0.0000,  0.0000)
  17 Au     5.012606    4.014661   16.084524    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.857377    4.008556   18.153381    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.994499    6.096447   18.067861    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.990592    4.008561   19.925083    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.978871   -0.021043   10.006112    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.952579    2.004252    9.847479    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.001977    2.015255   11.971411    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.979025   -0.001987   11.955848    ( 0.0000,  0.0000,  0.0000)
  25 Au     6.978264    0.018825   14.005770    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.971940    2.008754   14.009796    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.008428    2.003873   16.048010    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.996060    0.010815   16.007088    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.007013    0.003387   17.998982    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.984290    1.909451   18.016907    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.981886    4.029098    9.991142    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.980459    6.012835   10.022548    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.988624    6.007553   11.973885    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.963708    4.009110   11.955063    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.997933    3.991806   13.997783    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.980446    6.013518   14.005889    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.996368    6.021880   16.049864    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.969108    4.001590   16.067636    ( 0.0000,  0.0000,  0.0000)
  39 Au     7.136800    4.011628   18.182527    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982629    6.115725   18.011961    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 11:24:11  -117.828752  -3.28
iter:   2 11:24:57  -122.539334  -2.48  -2.50
iter:   3 11:25:43  -117.729232  -2.92  -1.90
iter:   4 11:26:28  -117.609300  -3.72  -2.75
iter:   5 11:27:13  -117.605631c -4.51  -3.36
iter:   6 11:28:00  -117.604600c -5.21  -3.48
iter:   7 11:28:46  -117.604245c -5.62  -3.75
iter:   8 11:29:33  -117.604037c -5.84  -3.78
iter:   9 11:30:19  -117.603950c -6.18  -3.95
iter:  10 11:31:05  -117.604106c -6.40  -4.05c
iter:  11 11:31:50  -117.604040c -6.52  -4.17c
iter:  12 11:32:36  -117.604014c -6.65  -4.28c
iter:  13 11:33:23  -117.604012c -7.02  -4.11c
iter:  14 11:34:10  -117.603940c -7.12  -4.39c
iter:  15 11:34:56  -117.603881c -7.19  -4.58c
iter:  16 11:35:43  -117.603835c -7.31  -4.71c
iter:  17 11:36:30  -117.603845c -7.96c -4.93c

Converged after 17 iterations.

Dipole moment: (-3.367990, 1.489685, 0.036765) |e|*Ang

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

Kinetic:       -204.164588
Potential:      +31.302762
External:        +0.000000
XC:             +59.226359
Entropy (-ST):   -2.187982
Local:           -2.874386
--------------------------
Free energy:   -118.697836
Extrapolated:  -117.603845

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.35703    1.41715
  0   304     -0.32817    1.29122
  0   305     -0.29760    1.14601
  0   306     -0.26656    0.99187

  1   303     -0.32577    1.28023
  1   304     -0.30330    1.17379
  1   305     -0.27260    1.02206
  1   306     -0.23873    0.85378


Fermi level: -0.26819

No gap

Forces in eV/Ang:
  0 Pd   -0.00181    0.00258    0.00495
  1 Pd   -0.00617   -0.00076   -0.01400
  2 Au    0.00289    0.00279    0.00296
  3 Pd    0.00119   -0.00234    0.00084
  4 Pd    0.00293    0.00497   -0.00555
  5 Pd   -0.00207    0.00831    0.00542
  6 Pd   -0.00494   -0.00711    0.00442
  7 Pd   -0.00403    0.00053   -0.00480
  8 Pd    0.02433   -0.00408   -0.01933
  9 Pd    0.00754    0.01062    0.01064
 10 Pd   -0.00477   -0.00376   -0.01910
 11 Pd   -0.00365   -0.00008    0.01261
 12 Pd    0.00676   -0.00164   -0.01563
 13 Pd    0.00349   -0.00477   -0.00952
 14 Au    0.00981   -0.01211    0.00289
 15 Pd    0.00478   -0.00001    0.02079
 16 Pd   -0.00853    0.01550    0.00188
 17 Au    0.00270   -0.00257    0.01031
 18 Au    0.00201    0.00781    0.00491
 19 Pd    0.00344   -0.01302   -0.00136
 20 Au   -0.00287   -0.00378    0.01819
 21 Pd    0.00175   -0.00089   -0.00815
 22 Au    0.00397    0.00125    0.01651
 23 Pd   -0.00642    0.00414   -0.01558
 24 Pd    0.00115   -0.00615   -0.00676
 25 Au   -0.00357   -0.00806   -0.00672
 26 Pd    0.00723    0.01166   -0.00355
 27 Pd    0.00442    0.00067    0.00691
 28 Pd    0.00609   -0.00373    0.00809
 29 Pd   -0.01847    0.00204   -0.01194
 30 Pd   -0.00436    0.00025    0.00274
 31 Pd    0.00580   -0.00300    0.00065
 32 Pd    0.00172   -0.00334   -0.00730
 33 Pd   -0.00670   -0.00113    0.00043
 34 Pd   -0.00215    0.00084   -0.00372
 35 Pd   -0.00867   -0.00277    0.01929
 36 Au   -0.00683    0.00164   -0.00884
 37 Pd    0.00888    0.00418    0.00249
 38 Pd   -0.00211   -0.00268    0.00759
 39 Au   -0.00895    0.00185   -0.01000
 40 Pd    0.00272    0.00715    0.00782

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    20.208    20.208   0.4% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                     88.887    88.887   1.5% ||
Hamiltonian:                                11.923     0.076   0.0% |
 Atomic:                                     1.827     1.099   0.0% |
  XC Correction:                             0.728     0.728   0.0% |
 Calculate atomic Hamiltonians:              6.258     6.258   0.1% |
 Communicate:                                0.001     0.001   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.043     0.043   0.0% |
 XC 3D grid:                                 3.718     3.718   0.1% |
LCAO initialization:                        62.489     0.320   0.0% |
 LCAO eigensolver:                           5.453     0.001   0.0% |
  Calculate projections:                     0.024     0.024   0.0% |
  DenseAtomicCorrection:                     0.025     0.025   0.0% |
  Distribute overlap matrix:                 0.006     0.006   0.0% |
  Orbital Layouts:                           0.243     0.243   0.0% |
  Potential matrix:                          5.126     5.126   0.1% |
  Sum over cells:                            0.027     0.027   0.0% |
 LCAO to grid:                              55.606    55.606   1.0% |
 Set positions (LCAO WFS):                   1.111     0.216   0.0% |
  Basic WFS set positions:                   0.001     0.001   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.622     0.622   0.0% |
  ST tci:                                    0.210     0.210   0.0% |
  mktci:                                     0.062     0.062   0.0% |
PWDescriptor:                                0.457     0.457   0.0% |
Redistribute:                                0.033     0.033   0.0% |
SCF-cycle:                                5527.009   237.387   4.1% |-|
 Davidson:                                4577.414   859.888  15.0% |-----|
  Apply H:                                 445.480   434.716   7.6% |--|
   HMM T:                                   10.764    10.764   0.2% |
  Subspace diag:                           793.750     0.032   0.0% |
   calc_h_matrix:                          583.558   131.751   2.3% ||
    Apply H:                               451.807   440.508   7.7% |--|
     HMM T:                                 11.299    11.299   0.2% |
   diagonalize:                             18.200    18.200   0.3% |
   rotate_psi:                             191.960   191.960   3.3% ||
  calc. matrices:                         1691.687   801.402  14.0% |-----|
   Apply H:                                890.285   868.725  15.1% |-----|
    HMM T:                                  21.561    21.561   0.4% |
  diagonalize:                             418.105   418.105   7.3% |--|
  rotate_psi:                              368.504   368.504   6.4% |--|
 Density:                                  441.738     0.006   0.0% |
  Atomic density matrices:                   1.127     1.127   0.0% |
  Mix:                                     180.732   180.732   3.1% ||
  Multipole moments:                         0.093     0.093   0.0% |
  Pseudo density:                          259.781   259.774   4.5% |-|
   Symmetrize density:                       0.007     0.007   0.0% |
 Hamiltonian:                              252.881     1.569   0.0% |
  Atomic:                                   42.150    26.779   0.5% |
   XC Correction:                           15.372    15.372   0.3% |
  Calculate atomic Hamiltonians:           136.153   136.153   2.4% ||
  Communicate:                               0.036     0.036   0.0% |
  Poisson:                                   1.000     1.000   0.0% |
  XC 3D grid:                               71.974    71.974   1.3% ||
 Orthonormalize:                            17.589     0.003   0.0% |
  calc_s_matrix:                             2.995     2.995   0.1% |
  inverse-cholesky:                          0.573     0.573   0.0% |
  projections:                               9.841     9.841   0.2% |
  rotate_psi_s:                              4.177     4.177   0.1% |
Set symmetry:                                0.001     0.001   0.0% |
Other:                                      32.386    32.386   0.6% |
-------------------------------------------------------------------
Total:                                              5743.393 100.0%

Memory usage: 1.01 GiB
Date: Mon Mar 27 11:36:47 2023
