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

User:   lacmarco@node440.cluster
Date:   Mon Mar 27 10:21:09 2023
Arch:   x86_64
Pid:    30130
Python: 3.10.4
gpaw:   /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/gpaw
_gpaw:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/
        _gpaw.cpython-310-x86_64-linux-gnu.so
ase:    /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/ase (version 3.22.1)
numpy:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/numpy (version 1.23.1)
scipy:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/scipy (version 1.9.0)
libxc:  5.2.3
units:  Angstrom and eV
cores: 16
OpenMP: True
OMP_NUM_THREADS: 1

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

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

Initialize ...

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

  Using partial waves for Au as LCAO basis

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

  Using partial waves for Pd as LCAO basis

Reference energy: -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: 183.36 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        Pd   |  
 |    |                   |  
 |   Pd     Pd Pd     Pd  |  
 |    PdPd      PdAu      |  
 |    |Pd Pd     Au Pd    |  
 | Au |    PdPd      Pd   |  
 |   Au     Pd Pd     Pd  |  
 |    |                   |  
 |    PdPd      PdPd      |  
 |    |Pd Pd     Au Pd    |  
 | Pd |    PdPd      Au   |  
 |   Pd        Pd         |  
 |    |                   |  
 |    | Au        Pd      |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    .-------------------.  
 |   /                   /   
 |  /                   /    
 | /                   /     
 |/                   /      
 *-------------------*       

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

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:23:52  -154.034378
iter:   2 10:24:54  -143.468898  -1.24  -1.20
iter:   3 10:25:55  -141.285837  -1.55  -1.27
iter:   4 10:26:56  -177.253608  -0.90  -1.29
iter:   5 10:27:57  -143.289765  -0.60  -1.22
iter:   6 10:28:59  -126.658985  -1.63  -1.65
iter:   7 10:30:00  -121.171831  -1.54  -1.76
iter:   8 10:31:02  -123.754414  -1.97  -1.80
iter:   9 10:32:04  -119.161770  -2.07  -1.88
iter:  10 10:33:05  -118.548224  -2.41  -2.08
iter:  11 10:34:07  -118.499697  -3.33  -2.13
iter:  12 10:35:08  -118.481607c -2.83  -2.18
iter:  13 10:36:09  -118.317392c -3.20  -2.20
iter:  14 10:37:10  -118.142833  -2.97  -2.29
iter:  15 10:38:12  -118.144636c -3.78  -2.49
iter:  16 10:39:13  -118.104565c -3.69  -2.56
iter:  17 10:40:15  -118.093346c -3.85  -2.67
iter:  18 10:41:16  -118.100289c -4.07  -2.86
iter:  19 10:42:19  -118.091386c -4.31  -2.87
iter:  20 10:43:24  -118.080653c -4.66  -2.98
iter:  21 10:44:29  -118.079559c -4.70  -3.20
iter:  22 10:45:32  -118.079172c -4.73  -3.33
iter:  23 10:46:37  -118.078995c -5.51  -3.49
iter:  24 10:47:42  -118.078740c -5.59  -3.55
iter:  25 10:48:46  -118.079263c -5.83  -3.65
iter:  26 10:49:51  -118.078515c -5.72  -3.58
iter:  27 10:50:55  -118.078392c -6.10  -3.75
iter:  28 10:52:00  -118.078344c -6.22  -3.82
iter:  29 10:53:05  -118.078313c -6.35  -3.84
iter:  30 10:54:09  -118.078322c -6.26  -3.94
iter:  31 10:55:14  -118.078389c -7.13  -4.04c
iter:  32 10:56:18  -118.078500c -6.60  -4.05c
iter:  33 10:57:23  -118.078534c -6.74  -4.14c
iter:  34 10:58:27  -118.078547c -6.89  -4.33c
iter:  35 10:59:32  -118.078490c -7.15  -4.40c
iter:  36 11:00:37  -118.078419c -6.99  -4.59c
iter:  37 11:01:41  -118.078419c -8.12c -4.82c

Converged after 37 iterations.

Dipole moment: (-4.053795, 0.028259, 0.080972) |e|*Ang

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

Kinetic:       -200.630326
Potential:      +27.677904
External:        +0.000000
XC:             +58.801907
Entropy (-ST):   -2.257626
Local:           -2.799091
--------------------------
Free energy:   -119.207232
Extrapolated:  -118.078419

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34635    1.34612
  0   304     -0.31567    1.20470
  0   305     -0.31103    1.18237
  0   306     -0.29491    1.10345

  1   303     -0.31262    1.19006
  1   304     -0.29516    1.10471
  1   305     -0.28859    1.07213
  1   306     -0.24259    0.84354


Fermi level: -0.27414

No gap

Forces in eV/Ang:
  0 Au   -0.11449    0.12115   -0.33990
  1 Pd   -0.00015   -0.00850    0.13290
  2 Pd    0.11457    0.16373   -0.04150
  3 Pd    0.14205    0.26581    0.06676
  4 Pd    0.13990   -0.00728   -0.14272
  5 Pd    0.00147    0.00360    0.01830
  6 Pd    0.20770   -0.05008    0.01307
  7 Pd   -0.17038    0.12136    0.16870
  8 Pd    0.11970   -0.00133   -0.12839
  9 Pd    0.03472   -0.16819    0.04935
 10 Pd   -0.09935   -0.09181    0.21310
 11 Au   -0.00174    0.01240   -0.35517
 12 Pd   -0.27480   -0.14431    0.08520
 13 Pd   -0.15056   -0.26704    0.05062
 14 Pd    0.01947   -0.00195    0.03194
 15 Au   -0.00293   -0.00326    0.02208
 16 Pd   -0.04300    0.05569    0.01576
 17 Pd    0.14873   -0.12953   -0.06148
 18 Au   -0.30908    0.00095    0.39925
 19 Pd    0.03380    0.17630    0.04329
 20 Au    0.11955   -0.01746   -0.47424
 21 Pd    0.08108    0.09526    0.20472
 22 Pd   -0.00104    0.00433    0.13338
 23 Pd   -0.11050   -0.16330   -0.03756
 24 Pd   -0.15957   -0.11624   -0.08912
 25 Pd   -0.14152   -0.00073   -0.10714
 26 Au   -0.00461    0.17100   -0.19444
 27 Pd   -0.20832    0.25773    0.01036
 28 Au    0.21096   -0.16527    0.11016
 29 Au   -0.15948   -0.00154    0.46803
 30 Pd   -0.02821    0.08965   -0.01901
 31 Au    0.13380   -0.12277   -0.33105
 32 Pd    0.00063   -0.00648    0.12850
 33 Pd    0.28283    0.15620    0.09329
 34 Pd    0.16169    0.10610   -0.04851
 35 Pd    0.00589    0.00219   -0.02551
 36 Pd   -0.00517   -0.13313   -0.13349
 37 Pd    0.04492   -0.25610    0.01575
 38 Pd   -0.12766    0.11962    0.17306
 39 Pd    0.14978    0.00395   -0.05538
 40 Pd   -0.02926   -0.07094   -0.02673

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.976760    0.012115    9.966010    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993641    2.004597   10.013290    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.999666    2.021820   12.001297    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.007862    0.026581   12.012123    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.002199   -0.000728   13.996623    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.993803    2.005807   14.012725    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.008979    2.000440   16.017649    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.976618    0.012136   16.033212    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.000179   -0.000133   18.008951    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.997129    1.988628   18.026724    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.978274    4.001713   10.021310    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.993482    6.017582    9.964483    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.960729    6.001911   12.013967    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.978600    3.984191   12.010509    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.990157    4.010700   14.014089    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.993364    6.016016   14.013102    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.983909    6.021912   16.017919    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.008530    3.997942   16.010194    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.957302    4.010989   18.061715    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.997036    6.033972   18.026118    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.005612    4.009149   19.979813    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.007212    0.009526   10.020472    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982657    2.005881   10.013338    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.988054    1.989117   12.001692    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.966805   -0.011624   11.996535    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.984952   -0.000073   14.000181    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.982301    2.022547   13.991451    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.978272    2.031220   16.017378    ( 0.0000,  0.0000,  0.0000)
  28 Au     1.003858   -0.016527   16.027358    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.983156   -0.000154   18.068593    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.979941    2.014413   18.019888    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.012484    3.998618    9.966895    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.982825    6.015694   10.012850    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.027387    6.031962   12.014776    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.998930    4.021505   12.000596    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.999693    4.011114   14.008343    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982245    6.003029   13.997546    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.003596    5.990732   16.017917    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.969996    4.022857   16.033648    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.014082    4.011290   18.016252    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.979836    6.009248   18.019117    ( 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 11:03:21  -118.928175  -1.86
iter:   2 11:04:27  -118.576111  -2.63  -2.28
iter:   3 11:05:32  -119.234518  -2.90  -2.41
iter:   4 11:06:39  -118.450354  -3.14  -2.17
iter:   5 11:07:42  -118.255295  -3.58  -2.47
iter:   6 11:08:41  -118.232147c -3.63  -2.84
iter:   7 11:09:45  -118.226285c -3.91  -2.96
iter:   8 11:10:50  -118.224308c -4.52  -3.10
iter:   9 11:11:55  -118.222523c -4.82  -3.19
iter:  10 11:13:01  -118.225470c -4.83  -3.31
iter:  11 11:14:05  -118.222001c -5.17  -3.24
iter:  12 11:15:06  -118.221610c -5.29  -3.42
iter:  13 11:16:06  -118.221574c -5.60  -3.56
iter:  14 11:17:06  -118.221561c -5.59  -3.71
iter:  15 11:18:04  -118.221332c -5.69  -3.83
iter:  16 11:19:03  -118.221225c -6.08  -3.95
iter:  17 11:20:02  -118.221304c -6.42  -4.04c
iter:  18 11:21:02  -118.221060c -6.38  -3.91
iter:  19 11:22:01  -118.221009c -6.82  -4.20c
iter:  20 11:23:00  -118.220987c -7.06  -4.29c
iter:  21 11:23:59  -118.221008c -7.01  -4.33c
iter:  22 11:24:58  -118.221042c -7.22  -4.41c
iter:  23 11:25:58  -118.221103c -7.27  -4.47c
iter:  24 11:27:01  -118.221093c -7.52c -4.38c

Converged after 24 iterations.

Dipole moment: (-3.917770, -1.392465, 0.083567) |e|*Ang

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

Kinetic:       -203.185191
Potential:      +29.636708
External:        +0.000000
XC:             +59.305485
Entropy (-ST):   -2.258073
Local:           -2.849058
--------------------------
Free energy:   -119.350129
Extrapolated:  -118.221093

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34443    1.31449
  0   304     -0.31879    1.19479
  0   305     -0.31471    1.17507
  0   306     -0.29787    1.09245

  1   303     -0.31997    1.20046
  1   304     -0.30088    1.10736
  1   305     -0.29370    1.07172
  1   306     -0.24976    0.85323


Fermi level: -0.27933

No gap

Forces in eV/Ang:
  0 Au   -0.01659    0.02191   -0.11904
  1 Pd    0.00070   -0.00205   -0.00493
  2 Pd   -0.01778   -0.07163   -0.01524
  3 Pd   -0.09218   -0.06632   -0.09481
  4 Pd   -0.01524    0.03268   -0.12533
  5 Pd    0.00311    0.00254    0.03210
  6 Pd   -0.01324    0.09169    0.00270
  7 Pd    0.07623   -0.01567    0.03586
  8 Pd    0.04364    0.00468    0.01932
  9 Pd   -0.01064   -0.05610    0.05823
 10 Pd   -0.02803   -0.02449    0.05875
 11 Au    0.00224    0.00189   -0.02890
 12 Pd    0.07652    0.07894   -0.06444
 13 Pd    0.08694    0.06830   -0.06661
 14 Pd    0.01381   -0.00103    0.14104
 15 Au    0.00470   -0.00588   -0.04882
 16 Pd    0.05927   -0.12424    0.01931
 17 Pd   -0.09727    0.01025    0.10670
 18 Au   -0.12307    0.00388    0.15164
 19 Pd   -0.01411    0.05378   -0.03811
 20 Au    0.12782   -0.01151   -0.29152
 21 Pd    0.01495    0.02697    0.05411
 22 Pd    0.00006    0.00457    0.08918
 23 Pd    0.01830    0.08413   -0.01722
 24 Pd    0.08051    0.04612    0.00407
 25 Pd    0.02948    0.03021    0.17698
 26 Au   -0.00089   -0.04705    0.04270
 27 Pd    0.04749   -0.09513    0.00869
 28 Au   -0.14908    0.07948   -0.04272
 29 Au    0.02072    0.00624    0.17393
 30 Pd   -0.05980   -0.03673   -0.06249
 31 Au    0.02342   -0.01962   -0.10769
 32 Pd    0.00023   -0.00765   -0.00831
 33 Pd   -0.07466   -0.09430   -0.06564
 34 Pd   -0.07568   -0.02685   -0.05427
 35 Pd    0.00024    0.00089   -0.13877
 36 Pd   -0.00269   -0.01022    0.04753
 37 Pd   -0.01447    0.06909    0.02465
 38 Pd    0.05592   -0.03245    0.02058
 39 Pd    0.08489    0.00309    0.01576
 40 Pd   -0.05894    0.02719    0.06220

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.972443    0.017137    9.945913    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993711    2.004191   10.015777    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.000398    2.018044   11.998770    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.001452    0.025664   12.003739    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.003768    0.002517   13.980323    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.994161    2.006153   14.016487    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.012288    2.008875   16.018226    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.980724    0.013241   16.040762    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.007436    0.000325   18.008068    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.996802    1.978977   18.033915    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.973106    3.997084   10.032253    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.993677    6.018059    9.953446    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.962507    6.006889   12.009168    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.984271    3.985287   12.004702    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.992037    4.010549   14.029526    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.993789    6.015329   14.008507    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.989122    6.010206   16.020289    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.001740    3.996087   16.019938    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.937481    4.011415   18.086552    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.996327    6.043565   18.023119    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.021648    4.007554   19.938687    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.010602    0.014491   10.030741    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982640    2.006455   10.025655    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.987468    1.994208   11.999047    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.971602   -0.009436   11.994947    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.984832    0.003063   14.016227    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.982104    2.021500   13.991516    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.978523    2.027115   16.018519    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.993067   -0.011966   16.025388    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.981717    0.000463   18.097309    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.973064    2.012605   18.012939    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.017949    3.993798    9.948183    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.982863    6.014750   10.014885    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.025985    6.025651   12.010034    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.994685    4.021099   11.993838    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.999851    4.011257   13.993288    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.981848    5.998957   13.999490    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.003101    5.992157   16.020844    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.972948    4.022172   16.039703    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.026321    4.011702   18.016646    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.973025    6.010483   18.025003    ( 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 11:28:30  -118.665572  -2.53
iter:   2 11:29:29  -120.434878  -2.56  -2.40
iter:   3 11:30:27  -118.746275  -2.80  -2.08
iter:   4 11:31:26  -118.284666  -3.62  -2.40
iter:   5 11:32:24  -118.271191  -4.23  -3.06
iter:   6 11:33:23  -118.267173c -4.69  -3.18
iter:   7 11:34:22  -118.266196c -4.63  -3.33
iter:   8 11:35:21  -118.264984c -5.24  -3.43
iter:   9 11:36:21  -118.265419c -5.53  -3.58
iter:  10 11:37:21  -118.265913c -5.74  -3.63
iter:  11 11:38:20  -118.265268c -5.67  -3.58
iter:  12 11:39:19  -118.265360c -5.97  -3.88
iter:  13 11:40:18  -118.265237c -6.46  -4.02c
iter:  14 11:41:17  -118.265070c -6.22  -4.14c
iter:  15 11:42:17  -118.264955c -6.81  -4.34c
iter:  16 11:43:17  -118.265013c -6.92  -4.46c
iter:  17 11:44:17  -118.264904c -7.21  -4.16c
iter:  18 11:45:17  -118.264907c -7.33  -4.59c
iter:  19 11:46:16  -118.264946c -7.58c -4.71c

Converged after 19 iterations.

Dipole moment: (-3.970742, -2.501544, 0.082591) |e|*Ang

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

Kinetic:       -204.790389
Potential:      +30.907590
External:        +0.000000
XC:             +59.554396
Entropy (-ST):   -2.254205
Local:           -2.809441
--------------------------
Free energy:   -119.392048
Extrapolated:  -118.264946

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34775    1.31416
  0   304     -0.32361    1.20168
  0   305     -0.31567    1.16328
  0   306     -0.30219    1.09707

  1   303     -0.32378    1.20250
  1   304     -0.30461    1.10905
  1   305     -0.29558    1.06425
  1   306     -0.25316    0.85327


Fermi level: -0.28272

No gap

Forces in eV/Ang:
  0 Au   -0.00066   -0.00572   -0.08290
  1 Pd    0.00009    0.00536   -0.02643
  2 Pd   -0.00242   -0.01093    0.02344
  3 Pd   -0.01468   -0.06240   -0.05084
  4 Pd   -0.02189   -0.00228    0.03174
  5 Pd    0.00925    0.00518   -0.00131
  6 Pd   -0.03638    0.00038    0.03395
  7 Pd    0.02672   -0.02534   -0.01824
  8 Pd   -0.03371   -0.00049   -0.02376
  9 Pd   -0.01243   -0.04166   -0.00173
 10 Pd    0.00289   -0.00232    0.02696
 11 Au    0.00151   -0.00438   -0.00853
 12 Pd    0.06041    0.02162   -0.04701
 13 Pd    0.02474    0.06048   -0.04985
 14 Pd    0.00181   -0.00200   -0.01386
 15 Au    0.01141    0.00849   -0.01103
 16 Pd   -0.00851    0.00994    0.02724
 17 Pd   -0.00754    0.01744    0.10420
 18 Au   -0.08482   -0.00337    0.07829
 19 Pd   -0.01222    0.02613   -0.04567
 20 Au    0.11226    0.00398   -0.11093
 21 Pd    0.00346    0.00284    0.03323
 22 Pd    0.00106   -0.00441    0.02985
 23 Pd    0.00043    0.02340    0.02627
 24 Pd    0.02036    0.00462    0.03170
 25 Pd   -0.00751   -0.00706    0.00997
 26 Au    0.00984   -0.00740    0.02764
 27 Pd    0.01032   -0.01990    0.02509
 28 Au    0.00143    0.00074    0.00713
 29 Au    0.04295   -0.00058    0.10599
 30 Pd   -0.03310   -0.05953   -0.02613
 31 Au   -0.01220    0.00636   -0.08120
 32 Pd    0.00111    0.00719   -0.01963
 33 Pd   -0.06068   -0.01516   -0.04566
 34 Pd   -0.01761   -0.01194    0.02191
 35 Pd   -0.00946   -0.00521   -0.00269
 36 Pd    0.00962    0.01331    0.03018
 37 Pd   -0.02154    0.02596    0.01815
 38 Pd    0.00467   -0.01850   -0.02005
 39 Pd    0.07730   -0.00201   -0.04409
 40 Pd   -0.03347    0.07039    0.02781

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.969469    0.019455    9.921925    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993749    2.004776   10.014106    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.001598    2.016859   12.001008    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.998486    0.018715   11.993600    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.002548    0.003256   13.977706    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.995739    2.007122   14.017854    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.010232    2.011414   16.023838    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.984397    0.011108   16.042601    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.006213    0.000399   18.002603    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.995158    1.967114   18.036813    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.970547    3.994000   10.042821    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.993961    6.017696    9.944071    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.969356    6.010386   12.001131    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.988430    3.991989   11.995466    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.993221    4.010162   14.033332    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.995675    6.016356   14.005391    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.989199    6.008146   16.025543    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.999818    3.996634   16.038886    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.913647    4.011058   18.112220    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.994566    6.053095   18.015461    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.046191    4.007393   19.901216    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.013293    0.017816   10.041941    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982787    2.006030   10.036256    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.986059    1.997804   12.001726    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.974663   -0.009259   11.998259    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.982008    0.003097   14.022349    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.983503    2.021931   13.993593    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.977829    2.025497   16.022933    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.991797   -0.012091   16.027039    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.986019    0.000579   18.129456    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.965130    2.003763   18.006163    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.019569    3.991633    9.925061    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.983057    6.015447   10.014052    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.019321    6.022808   12.002319    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.992273    4.020318   11.994229    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.998513    4.010528   13.987133    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.983133    5.998020   14.003337    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.000102    5.993762   16.024892    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.973278    4.020429   16.040771    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.044426    4.011585   18.009332    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.965046    6.021012   18.031132    ( 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 11:47:44  -118.783190  -2.59
iter:   2 11:48:45  -123.677360  -2.29  -2.36
iter:   3 11:49:46  -118.552396  -2.65  -1.90
iter:   4 11:50:46  -118.306775  -3.44  -2.56
iter:   5 11:51:46  -118.297647c -4.08  -3.06
iter:   6 11:52:45  -118.290087c -4.72  -3.09
iter:   7 11:53:46  -118.288253c -4.88  -3.33
iter:   8 11:54:47  -118.287486c -5.06  -3.43
iter:   9 11:55:47  -118.287363c -5.55  -3.61
iter:  10 11:56:48  -118.287410c -5.65  -3.75
iter:  11 11:57:49  -118.287767c -5.95  -3.87
iter:  12 11:58:49  -118.287466c -6.27  -3.78
iter:  13 11:59:49  -118.287438c -6.55  -4.04c
iter:  14 12:00:49  -118.287336c -6.35  -4.07c
iter:  15 12:01:49  -118.287247c -6.79  -4.27c
iter:  16 12:02:49  -118.287192c -6.94  -4.38c
iter:  17 12:03:48  -118.287164c -7.20  -4.42c
iter:  18 12:04:48  -118.287152c -7.27  -4.51c
iter:  19 12:05:48  -118.287145c -7.55c -4.48c

Converged after 19 iterations.

Dipole moment: (-3.981426, -2.381895, 0.079632) |e|*Ang

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

Kinetic:       -205.945068
Potential:      +31.788875
External:        +0.000000
XC:             +59.801586
Entropy (-ST):   -2.250511
Local:           -2.807282
--------------------------
Free energy:   -119.412401
Extrapolated:  -118.287145

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.35241    1.31249
  0   304     -0.33117    1.21371
  0   305     -0.31781    1.14915
  0   306     -0.30940    1.10781

  1   303     -0.32887    1.20275
  1   304     -0.31031    1.11231
  1   305     -0.29888    1.05555
  1   306     -0.25801    0.85238


Fermi level: -0.28775

No gap

Forces in eV/Ang:
  0 Au    0.00268   -0.00345   -0.01522
  1 Pd   -0.00212    0.00146   -0.01769
  2 Pd    0.02376   -0.02544    0.01390
  3 Pd   -0.02046   -0.00632   -0.00814
  4 Pd    0.00812   -0.01355    0.05624
  5 Pd   -0.00981    0.01162   -0.00063
  6 Pd   -0.00523    0.00456    0.02061
  7 Pd    0.01857    0.00048   -0.02461
  8 Pd   -0.04028   -0.00253    0.00477
  9 Pd   -0.01270   -0.02995   -0.03508
 10 Pd    0.00532    0.00422   -0.01628
 11 Au   -0.00146   -0.00144   -0.02611
 12 Pd    0.00711    0.01735   -0.01235
 13 Pd    0.01467    0.01608   -0.01607
 14 Pd    0.02668    0.01552   -0.03067
 15 Au   -0.01652   -0.02214    0.03344
 16 Pd   -0.01506   -0.00550    0.01313
 17 Pd   -0.02040    0.01166    0.03748
 18 Au   -0.03263    0.00068    0.00652
 19 Pd   -0.01066    0.00723   -0.02120
 20 Au    0.07269    0.01665    0.01059
 21 Pd    0.00411   -0.00048   -0.00696
 22 Pd   -0.00166   -0.00457   -0.00298
 23 Pd   -0.01319    0.01349    0.01416
 24 Pd    0.01669   -0.02307    0.02354
 25 Pd    0.00852   -0.00858   -0.04489
 26 Au   -0.00759   -0.00989    0.02621
 27 Pd   -0.00788   -0.02927    0.00480
 28 Au   -0.02023   -0.01941   -0.01350
 29 Au    0.01413   -0.00306    0.02310
 30 Pd   -0.00351   -0.04377    0.02183
 31 Au   -0.00381    0.00588   -0.01958
 32 Pd   -0.00149    0.00491   -0.00762
 33 Pd    0.00316   -0.01208   -0.01437
 34 Pd   -0.02307    0.02616    0.02287
 35 Pd   -0.01903    0.00984    0.05746
 36 Pd   -0.00290    0.01079   -0.01287
 37 Pd    0.00234    0.02734    0.00172
 38 Pd    0.01809    0.01474   -0.02983
 39 Pd    0.05983    0.00075   -0.04490
 40 Pd   -0.00481    0.04438    0.01444

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.968433    0.020325    9.911219    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993485    2.005051   10.011825    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.005282    2.012931   12.003032    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.994439    0.016423   11.989127    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.003705    0.002021   13.982370    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.994859    2.008948   14.018586    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.009711    2.013608   16.028019    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.988042    0.010947   16.040913    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.001604    0.000135   18.001651    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993076    1.958871   18.033792    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.969876    3.993133   10.044816    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.993858    6.017492    9.936533    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.971824    6.013968   11.997070    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.991891    3.995539   11.990453    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.997312    4.012114   14.032110    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.993979    6.013569   14.008551    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.987802    6.005546   16.028867    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.995991    3.997924   16.049557    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.900736    4.011116   18.122832    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.992679    6.057755   18.010481    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.063896    4.009350   19.887938    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.015007    0.019285   10.045236    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982598    2.005397   10.040098    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.983753    2.000886   12.003882    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.978011   -0.012163   12.001880    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.982268    0.002349   14.019694    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.982800    2.020806   13.997342    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.976381    2.021033   16.024788    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.987736   -0.014350   16.025537    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.988556    0.000275   18.144397    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.961870    1.995703   18.006555    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.020294    3.991145    9.914166    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.982911    6.016144   10.013251    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.018321    6.019935   11.998084    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.988304    4.023693   11.996472    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.995686    4.011682   13.991409    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.983001    5.998560   14.002622    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.999687    5.997638   16.026476    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.975966    4.022037   16.038023    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.058441    4.011712   18.001577    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.961610    6.029514   18.035220    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 12:07:16  -118.437416  -3.00
iter:   2 12:08:15  -120.826366  -2.75  -2.62
iter:   3 12:09:13  -118.334879  -3.13  -2.03
iter:   4 12:10:11  -118.299495  -4.02  -2.95
iter:   5 12:11:12  -118.298167c -4.73  -3.32
iter:   6 12:12:11  -118.295366c -4.91  -3.36
iter:   7 12:13:12  -118.295137c -5.34  -3.63
iter:   8 12:14:11  -118.294868c -5.81  -3.72
iter:   9 12:15:11  -118.295316c -5.94  -3.87
iter:  10 12:16:10  -118.294742c -5.94  -3.73
iter:  11 12:17:11  -118.294769c -6.38  -4.09c
iter:  12 12:18:12  -118.294798c -6.58  -4.11c
iter:  13 12:19:12  -118.294784c -6.84  -4.30c
iter:  14 12:20:12  -118.294780c -6.79  -4.38c
iter:  15 12:21:11  -118.294723c -7.09  -4.46c
iter:  16 12:22:09  -118.294694c -7.38  -4.50c
iter:  17 12:23:09  -118.294660c -7.61c -4.60c

Converged after 17 iterations.

Dipole moment: (-3.962467, -2.023400, 0.076695) |e|*Ang

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

Kinetic:       -207.015828
Potential:      +32.665577
External:        +0.000000
XC:             +59.991549
Entropy (-ST):   -2.248192
Local:           -2.811862
--------------------------
Free energy:   -119.418756
Extrapolated:  -118.294660

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.35601    1.31238
  0   304     -0.33699    1.22422
  0   305     -0.32073    1.14578
  0   306     -0.31304    1.10794

  1   303     -0.33321    1.20618
  1   304     -0.31459    1.11559
  1   305     -0.30191    1.05267
  1   306     -0.26110    0.84980


Fermi level: -0.29137

No gap

Forces in eV/Ang:
  0 Au    0.00023   -0.00189    0.00760
  1 Pd    0.00097    0.00113   -0.01269
  2 Pd   -0.00354    0.00136    0.00977
  3 Pd    0.00286   -0.00646    0.01063
  4 Pd    0.00909   -0.00807    0.04532
  5 Pd   -0.00457    0.00960    0.00469
  6 Pd   -0.01032   -0.00347    0.00517
  7 Pd    0.00020   -0.00021   -0.00998
  8 Pd   -0.02673   -0.00552    0.00515
  9 Pd   -0.00655    0.00302   -0.00922
 10 Pd   -0.00142    0.00133   -0.01044
 11 Au    0.00080    0.00327   -0.02099
 12 Pd    0.00211    0.00025   -0.00217
 13 Pd    0.00157    0.00330   -0.00545
 14 Pd   -0.00158   -0.00622   -0.03200
 15 Au    0.00113   -0.00218    0.01415
 16 Pd   -0.02062    0.00749    0.01149
 17 Pd   -0.00477   -0.00378    0.01869
 18 Au    0.01807   -0.00128    0.00746
 19 Pd   -0.00519    0.00019    0.00150
 20 Au    0.03677    0.00868    0.01187
 21 Pd    0.00142   -0.00084   -0.00648
 22 Pd    0.00076   -0.00033    0.00425
 23 Pd   -0.00330    0.00258    0.00597
 24 Pd    0.00661   -0.00081    0.00500
 25 Pd   -0.01451   -0.01193   -0.05431
 26 Au    0.00695    0.01252   -0.00538
 27 Pd   -0.00813   -0.01033    0.00059
 28 Au   -0.00362   -0.01111   -0.01021
 29 Au   -0.01066   -0.00464    0.00002
 30 Pd    0.00689   -0.02243    0.02466
 31 Au    0.00082    0.00082    0.00368
 32 Pd    0.00087    0.00343   -0.00911
 33 Pd   -0.00969    0.00324    0.00197
 34 Pd    0.00327   -0.00384    0.01692
 35 Pd   -0.01215    0.00117    0.05356
 36 Pd    0.00266    0.00065   -0.01350
 37 Pd    0.00199    0.01341    0.00082
 38 Pd    0.01481    0.00822   -0.01836
 39 Pd    0.02579   -0.00226   -0.02839
 40 Pd    0.00671    0.02007    0.01514

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.967956    0.020539    9.907702    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993561    2.005291   10.009281    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.005684    2.011465   12.004948    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.992941    0.014145   11.988393    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.005188    0.000792   13.989140    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.994030    2.010887   14.019757    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.007921    2.014496   16.030107    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.989767    0.010692   16.039351    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.996784   -0.000698   18.002110    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.991426    1.956238   18.032175    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.969185    3.992798   10.044645    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.993971    6.017913    9.930900    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.973597    6.015701   11.994899    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.993863    3.997713   11.987492    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.998351    4.011729   14.028363    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.993772    6.012475   14.010989    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.984900    6.004889   16.031752    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.993445    3.997822   16.056594    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.898104    4.010967   18.128807    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.991249    6.059780   18.008803    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.075823    4.011047   19.882571    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.015885    0.019883   10.045978    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982660    2.005198   10.042793    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.982737    2.002861   12.005283    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.980597   -0.012719   12.003725    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.980377    0.000655   14.012671    ( 0.0000,  0.0000,  0.0000)
  26 Au     0.983648    2.021963   13.997978    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.975146    2.017539   16.025585    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.984910   -0.015970   16.023373    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.987995   -0.000427   18.150860    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.961262    1.989697   18.009534    ( 0.0000,  0.0000,  0.0000)
  31 Au     7.020850    3.990904    9.910146    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.983005    6.016793   10.011631    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.015874    6.018803   11.996464    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.987033    4.023837   11.999121    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.993115    4.012152   13.999056    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.983368    5.998688   14.000955    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.999658    6.001215   16.027346    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.979284    4.023366   16.034817    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.067238    4.011441   17.995240    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.960932    6.035279   18.039201    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 12:24:36  -118.309893  -3.35
iter:   2 12:25:35  -118.415825  -3.93  -3.17
iter:   3 12:26:33  -118.305212c -4.21  -2.66
iter:   4 12:27:31  -118.299137c -5.03  -3.23
iter:   5 12:28:30  -118.298169c -5.38  -3.53
iter:   6 12:29:29  -118.297709c -5.41  -3.66
iter:   7 12:30:26  -118.297604c -5.84  -3.85
iter:   8 12:31:22  -118.297517c -6.13  -3.96
iter:   9 12:32:25  -118.297724c -6.23  -4.11c
iter:  10 12:33:27  -118.297489c -6.44  -3.97
iter:  11 12:34:31  -118.297486c -6.82  -4.27c
iter:  12 12:35:33  -118.297504c -7.05  -4.38c
iter:  13 12:36:33  -118.297496c -7.15  -4.48c
iter:  14 12:37:34  -118.297497c -7.26  -4.65c
iter:  15 12:38:33  -118.297481c -7.62c -4.80c

Converged after 15 iterations.

Dipole moment: (-3.927008, -1.640197, 0.076811) |e|*Ang

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

Kinetic:       -207.715900
Potential:      +33.248117
External:        +0.000000
XC:             +60.106769
Entropy (-ST):   -2.247216
Local:           -2.812860
--------------------------
Free energy:   -119.421089
Extrapolated:  -118.297481

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.35722    1.31135
  0   304     -0.33971    1.23028
  0   305     -0.32236    1.14666
  0   306     -0.31403    1.10571

  1   303     -0.33518    1.20875
  1   304     -0.31627    1.11676
  1   305     -0.30328    1.05227
  1   306     -0.26212    0.84771


Fermi level: -0.29281

No gap

Forces in eV/Ang:
  0 Au    0.00328    0.00197    0.01497
  1 Pd   -0.00108   -0.00261    0.00054
  2 Pd    0.00834    0.00224   -0.00614
  3 Pd   -0.00040    0.00931    0.00283
  4 Pd    0.00459   -0.00114    0.00630
  5 Pd   -0.00342    0.00318   -0.00166
  6 Pd   -0.00624   -0.00849   -0.00002
  7 Pd   -0.01140    0.00249    0.00844
  8 Pd   -0.00556   -0.00083   -0.00248
  9 Pd   -0.00046    0.00593    0.00188
 10 Pd   -0.00226    0.00104   -0.00429
 11 Au    0.00048    0.00366   -0.01489
 12 Pd   -0.00145   -0.00677    0.00195
 13 Pd   -0.00550   -0.00567    0.00075
 14 Pd    0.00588    0.00522   -0.01083
 15 Au   -0.00871   -0.01035    0.00674
 16 Pd   -0.00633    0.00334   -0.00143
 17 Pd   -0.00092   -0.00047   -0.00558
 18 Au    0.01746   -0.00234   -0.00094
 19 Pd    0.00085    0.00111    0.00772
 20 Au    0.02455    0.00344    0.00387
 21 Pd   -0.00057   -0.00015   -0.00202
 22 Pd    0.00095    0.00154    0.00292
 23 Pd   -0.00532   -0.00040   -0.00232
 24 Pd   -0.00140   -0.00104   -0.00549
 25 Pd   -0.00096    0.00413   -0.02255
 26 Au   -0.00753   -0.00278   -0.00667
 27 Pd    0.00513   -0.00645   -0.00347
 28 Au   -0.00775    0.00434   -0.00825
 29 Au   -0.01705   -0.00086   -0.01037
 30 Pd    0.00756   -0.00359    0.00591
 31 Au    0.00508    0.00131    0.01322
 32 Pd   -0.00127   -0.00138    0.00135
 33 Pd    0.00453   -0.00258   -0.00002
 34 Pd    0.00003    0.00599   -0.00489
 35 Pd   -0.00200    0.00014    0.01609
 36 Pd   -0.00098   -0.00228   -0.01516
 37 Pd    0.00535    0.00162    0.00123
 38 Pd    0.00807    0.00231    0.00839
 39 Pd    0.00309   -0.00176   -0.01392
 40 Pd    0.00700   -0.00152    0.00297

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    19.603    19.603   0.2% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                    108.763   108.763   1.3% ||
Hamiltonian:                                14.502     0.079   0.0% |
 Atomic:                                     2.718     1.468   0.0% |
  XC Correction:                             1.250     1.250   0.0% |
 Calculate atomic Hamiltonians:              7.354     7.354   0.1% |
 Communicate:                                0.001     0.001   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.061     0.061   0.0% |
 XC 3D grid:                                 4.288     4.288   0.1% |
LCAO initialization:                        87.805     0.499   0.0% |
 LCAO eigensolver:                           8.128     0.002   0.0% |
  Calculate projections:                     0.067     0.067   0.0% |
  DenseAtomicCorrection:                     0.063     0.063   0.0% |
  Distribute overlap matrix:                 0.006     0.006   0.0% |
  Orbital Layouts:                           0.439     0.439   0.0% |
  Potential matrix:                          7.518     7.518   0.1% |
  Sum over cells:                            0.033     0.033   0.0% |
 LCAO to grid:                              77.021    77.021   0.9% |
 Set positions (LCAO WFS):                   2.157     0.516   0.0% |
  Basic WFS set positions:                   0.003     0.003   0.0% |
  Basis functions set positions:             0.001     0.001   0.0% |
  P tci:                                     1.096     1.096   0.0% |
  ST tci:                                    0.416     0.416   0.0% |
  mktci:                                     0.125     0.125   0.0% |
PWDescriptor:                                0.615     0.615   0.0% |
Redistribute:                                0.041     0.041   0.0% |
SCF-cycle:                                7987.646   220.805   2.7% ||
 Davidson:                                6955.790  1558.219  18.9% |-------|
  Apply H:                                 540.935   531.413   6.4% |--|
   HMM T:                                    9.522     9.522   0.1% |
  Subspace diag:                          1136.249     0.038   0.0% |
   calc_h_matrix:                          765.649   223.144   2.7% ||
    Apply H:                               542.505   532.456   6.4% |--|
     HMM T:                                 10.048    10.048   0.1% |
   diagonalize:                             25.704    25.704   0.3% |
   rotate_psi:                             344.858   344.858   4.2% |-|
  calc. matrices:                         2511.989  1443.648  17.5% |------|
   Apply H:                               1068.341  1049.306  12.7% |----|
    HMM T:                                  19.035    19.035   0.2% |
  diagonalize:                             530.211   530.211   6.4% |--|
  rotate_psi:                              678.188   678.188   8.2% |--|
 Density:                                  469.123     0.007   0.0% |
  Atomic density matrices:                   1.915     1.915   0.0% |
  Mix:                                     182.212   182.212   2.2% ||
  Multipole moments:                         0.141     0.141   0.0% |
  Pseudo density:                          284.848   284.842   3.4% ||
   Symmetrize density:                       0.006     0.006   0.0% |
 Hamiltonian:                              311.064     1.654   0.0% |
  Atomic:                                   65.496    39.586   0.5% |
   XC Correction:                           25.910    25.910   0.3% |
  Calculate atomic Hamiltonians:           155.907   155.907   1.9% ||
  Communicate:                               0.191     0.191   0.0% |
  Poisson:                                   1.335     1.335   0.0% |
  XC 3D grid:                               86.481    86.481   1.0% |
 Orthonormalize:                            30.864     0.003   0.0% |
  calc_s_matrix:                             5.156     5.156   0.1% |
  inverse-cholesky:                          0.659     0.659   0.0% |
  projections:                              16.889    16.889   0.2% |
  rotate_psi_s:                              8.157     8.157   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      43.091    43.091   0.5% |
-------------------------------------------------------------------
Total:                                              8262.068 100.0%

Memory usage: 1.02 GiB
Date: Mon Mar 27 12:38:51 2023
