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

User:   lacmarco@node248.cluster
Date:   Mon Mar 27 11:01:14 2023
Arch:   x86_64
Pid:    73999
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: 184.64 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     Au  |  
 |    AuPd      AuPd      |  
 |    |Pd Pd     Au Pd    |  
 | Pd |    PdPd      Pd   |  
 |   Pd     Pd Pd     Pd  |  
 |    |                   |  
 |    PdPd      PdPd      |  
 |    |Pd Pd     Pd Pd    |  
 | Au |    AuPd      Pd   |  
 |   Pd        Au         |  
 |    |                   |  
 |    | Pd        Pd      |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    .-------------------.  
 |   /                   /   
 |  /                   /    
 | /                   /     
 |/                   /      
 *-------------------*       

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

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 11:03:23  -152.464531
iter:   2 11:04:08  -143.712530  -1.26  -1.20
iter:   3 11:04:56  -155.502210  -1.43  -1.27
iter:   4 11:05:45  -136.843977  -1.47  -1.22
iter:   5 11:06:31  -127.025022  -0.65  -1.32
iter:   6 11:07:17  -121.862118  -1.73  -1.68
iter:   7 11:08:04  -119.595362  -2.19  -1.79
iter:   8 11:08:53  -119.396805  -1.89  -1.86
iter:   9 11:09:43  -118.128645  -2.63  -1.96
iter:  10 11:10:35  -118.203848  -2.69  -2.06
iter:  11 11:11:26  -117.883138  -3.00  -2.11
iter:  12 11:12:16  -117.590834  -3.00  -2.20
iter:  13 11:13:08  -117.505477  -2.85  -2.34
iter:  14 11:14:00  -117.458313c -3.47  -2.53
iter:  15 11:14:48  -117.433178c -3.96  -2.65
iter:  16 11:15:33  -117.417836c -3.96  -2.71
iter:  17 11:16:20  -117.414431c -3.81  -2.77
iter:  18 11:17:05  -117.407440c -4.21  -2.95
iter:  19 11:17:51  -117.404521c -4.64  -3.02
iter:  20 11:18:38  -117.403943c -4.92  -3.22
iter:  21 11:19:25  -117.403242c -5.24  -3.46
iter:  22 11:20:11  -117.402932c -5.41  -3.60
iter:  23 11:20:58  -117.402558c -5.99  -3.71
iter:  24 11:21:44  -117.402459c -5.67  -3.74
iter:  25 11:22:31  -117.402643c -6.54  -3.77
iter:  26 11:23:17  -117.402443c -6.25  -3.82
iter:  27 11:24:04  -117.402611c -6.78  -3.83
iter:  28 11:24:50  -117.402609c -6.93  -3.94
iter:  29 11:25:37  -117.402795c -6.36  -3.96
iter:  30 11:26:24  -117.402762c -6.53  -4.00c
iter:  31 11:27:12  -117.402588c -6.16  -4.10c
iter:  32 11:28:00  -117.402673c -6.85  -4.34c
iter:  33 11:28:47  -117.402572c -7.38  -4.44c
iter:  34 11:29:34  -117.402608c -7.14  -4.65c
iter:  35 11:30:21  -117.402578c -7.56c -4.76c

Converged after 35 iterations.

Dipole moment: (-4.595728, 0.132362, 0.067601) |e|*Ang

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

Kinetic:       -189.083209
Potential:      +18.922513
External:        +0.000000
XC:             +56.698979
Entropy (-ST):   -2.189362
Local:           -2.846180
--------------------------
Free energy:   -118.497259
Extrapolated:  -117.402578

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.33656    1.41411
  0   304     -0.31516    1.32170
  0   305     -0.29196    1.21420
  0   306     -0.25864    1.05090

  1   303     -0.29827    1.24406
  1   304     -0.28244    1.16833
  1   305     -0.25214    1.01846
  1   306     -0.21162    0.81793


Fermi level: -0.24845

No gap

Forces in eV/Ang:
  0 Pd    0.03994   -0.08309    0.04711
  1 Au    0.12971   -0.14855   -0.32548
  2 Pd   -0.03580   -0.04178    0.19916
  3 Pd    0.00638   -0.04248   -0.05628
  4 Pd    0.00790    0.13737    0.15383
  5 Pd   -0.00985   -0.12912   -0.12582
  6 Pd   -0.04518   -0.42160   -0.08732
  7 Pd   -0.11883    0.21930    0.32039
  8 Pd   -0.00997   -0.00236   -0.25339
  9 Pd    0.11040   -0.35026    0.12160
 10 Au   -0.14846    0.13058   -0.32652
 11 Pd    0.09742    0.10122    0.17004
 12 Pd   -0.00641    0.05585   -0.07167
 13 Pd    0.14987    0.03657   -0.02144
 14 Pd   -0.15074   -0.14533   -0.26499
 15 Au   -0.18031    0.17357   -0.36247
 16 Pd   -0.17006    0.44065    0.04194
 17 Au    0.05005   -0.34446   -0.03893
 18 Au   -0.28855    0.01094    0.74224
 19 Pd   -0.01404    0.34120    0.29428
 20 Au    0.12190    0.00253   -0.44008
 21 Pd   -0.04736   -0.06948    0.05807
 22 Pd   -0.08360    0.04276    0.06930
 23 Pd    0.04313    0.10970    0.05911
 24 Au   -0.00666   -0.01175   -0.11844
 25 Pd   -0.00408    0.28657    0.00562
 26 Pd    0.00127    0.00275    0.01045
 27 Pd    0.03439   -0.28327    0.03543
 28 Pd    0.11345    0.10221    0.09658
 29 Pd    0.01344    0.13881   -0.11185
 30 Pd   -0.10413   -0.23653   -0.08704
 31 Pd    0.10364    0.08877    0.19841
 32 Pd   -0.06891   -0.05083    0.05510
 33 Pd   -0.00036   -0.11586   -0.21745
 34 Pd   -0.15510    0.01652    0.02734
 35 Pd    0.16988   -0.26207   -0.37652
 36 Pd    0.13870   -0.01376   -0.17354
 37 Au    0.19182    0.37655    0.27806
 38 Au   -0.00952   -0.16612    0.04363
 39 Pd    0.11655   -0.11843    0.37174
 40 Pd    0.02932    0.22272    0.06004

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.992204   -0.008309   10.004711    ( 0.0000,  0.0000,  0.0000)
   1 Au     5.006628    1.990592    9.967452    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.984629    2.001270   12.025364    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.994295   -0.004248   11.999819    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.988999    0.013737   14.026278    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.992672    1.992535   13.998313    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.983691    1.963288   16.007610    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.981774    0.021930   16.048381    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.987212   -0.000236   17.996451    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.004696    1.970422   18.033950    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.973364    4.023953    9.967348    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.003399    6.026464   10.017004    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.987568    6.021927   11.998280    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.008644    4.014552   12.003304    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.973135    3.996362   13.984396    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.975626    6.033699   13.974647    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.971203    6.060407   16.020536    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.998662    3.976449   16.012449    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.959354    4.011989   18.096013    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.992252    6.050463   18.051217    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.005847    4.011148   19.983229    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.994368   -0.006948   10.005807    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.974401    2.009724   10.006930    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.003417    2.016418   12.011358    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.982096   -0.001175   11.993604    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.998696    0.028657   14.011457    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982889    2.005722   14.011939    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.002543    1.977120   16.019885    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.994107    0.010221   16.026000    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.000448    0.013881   18.010604    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.972349    1.981795   18.013086    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.009467    4.019772   10.019841    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.975870    6.011260   10.005510    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.999068    6.004756   11.983702    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.967252    4.012547   12.008181    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.016092    3.984688   13.973242    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.996632    6.014966   13.993541    ( 0.0000,  0.0000,  0.0000)
  37 Au     7.018286    6.053997   16.044148    ( 0.0000,  0.0000,  0.0000)
  38 Au     0.981810    3.994283   16.020705    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.010759    3.999052   18.058964    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.985693    6.038614   18.027794    ( 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 11:31:32  -121.061679  -1.48
iter:   2 11:32:20  -125.181511  -1.88  -1.98
iter:   3 11:33:09  -119.315153  -2.24  -1.80
iter:   4 11:33:56  -117.988082  -2.63  -2.13
iter:   5 11:34:44  -117.827449  -3.01  -2.37
iter:   6 11:35:32  -117.760445c -2.99  -2.50
iter:   7 11:36:22  -117.634444c -3.66  -2.57
iter:   8 11:37:09  -117.623980c -3.86  -2.86
iter:   9 11:37:58  -117.621261c -4.41  -2.99
iter:  10 11:38:45  -117.627690c -4.53  -3.08
iter:  11 11:39:33  -117.622879c -4.57  -3.01
iter:  12 11:40:22  -117.617175c -4.62  -3.16
iter:  13 11:41:11  -117.616716c -5.22  -3.34
iter:  14 11:42:00  -117.616350c -5.35  -3.47
iter:  15 11:42:48  -117.615612c -5.03  -3.56
iter:  16 11:43:36  -117.616108c -5.51  -3.80
iter:  17 11:44:23  -117.615436c -6.26  -3.76
iter:  18 11:45:10  -117.615578c -6.35  -3.85
iter:  19 11:45:57  -117.615357c -6.22  -3.92
iter:  20 11:46:46  -117.615416c -6.40  -4.04c
iter:  21 11:47:33  -117.615363c -6.60  -4.12c
iter:  22 11:48:20  -117.615297c -6.78  -4.20c
iter:  23 11:49:08  -117.615484c -7.16  -4.27c
iter:  24 11:49:55  -117.615334c -6.88  -4.24c
iter:  25 11:50:42  -117.615408c -6.98  -4.40c
iter:  26 11:51:29  -117.615368c -7.50c -4.46c

Converged after 26 iterations.

Dipole moment: (-4.152254, -2.990009, 0.065242) |e|*Ang

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

Kinetic:       -193.948260
Potential:      +22.933970
External:        +0.000000
XC:             +57.405461
Entropy (-ST):   -2.193749
Local:           -2.909664
--------------------------
Free energy:   -118.712242
Extrapolated:  -117.615368

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.33772    1.40179
  0   304     -0.31728    1.31273
  0   305     -0.29160    1.19271
  0   306     -0.26201    1.04718

  1   303     -0.30632    1.26250
  1   304     -0.28769    1.17383
  1   305     -0.25412    1.00779
  1   306     -0.21847    0.83115


Fermi level: -0.25257

No gap

Forces in eV/Ang:
  0 Pd    0.02524   -0.00613    0.01013
  1 Au    0.00534   -0.00960   -0.14041
  2 Pd    0.05350    0.03349   -0.10075
  3 Pd    0.02078    0.09599   -0.06944
  4 Pd   -0.02885    0.03336   -0.04325
  5 Pd   -0.00483   -0.04921   -0.08225
  6 Pd   -0.00132    0.09343    0.07457
  7 Pd    0.03593   -0.04243    0.01556
  8 Pd   -0.03723    0.02246    0.03097
  9 Pd   -0.00196   -0.12721    0.10262
 10 Au   -0.01348   -0.00813   -0.11643
 11 Pd    0.02532    0.02815    0.06127
 12 Pd   -0.04989   -0.02123   -0.09815
 13 Pd   -0.07549   -0.09294   -0.14782
 14 Pd    0.00150   -0.00935   -0.00021
 15 Au    0.08987   -0.03037    0.18351
 16 Pd    0.05127   -0.11768    0.03403
 17 Au   -0.04163    0.10364    0.05711
 18 Au   -0.20045   -0.01322    0.18055
 19 Pd   -0.02639    0.11638    0.03967
 20 Au    0.12648   -0.01290   -0.17266
 21 Pd   -0.01095   -0.01482    0.00829
 22 Pd   -0.02070    0.03065    0.04233
 23 Pd   -0.03433   -0.05581   -0.08205
 24 Au   -0.02367    0.00438   -0.01054
 25 Pd   -0.00538   -0.01020   -0.02043
 26 Pd    0.00454   -0.05002   -0.00935
 27 Pd    0.01292   -0.02037   -0.00047
 28 Pd   -0.01872    0.02929   -0.06327
 29 Pd    0.03444    0.10816    0.10015
 30 Pd   -0.03413   -0.11912    0.00737
 31 Pd    0.03506    0.00311    0.04282
 32 Pd   -0.02990   -0.01676   -0.02167
 33 Pd    0.02796    0.04946    0.02473
 34 Pd    0.07226   -0.00003   -0.06689
 35 Pd   -0.00785    0.07332    0.08143
 36 Pd   -0.03294    0.00392   -0.01454
 37 Au   -0.11880   -0.08659   -0.09486
 38 Au    0.04228    0.02591    0.10237
 39 Pd    0.13147   -0.03711    0.05792
 40 Pd    0.03194    0.09569    0.08063

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.995446   -0.010195   10.006478    ( 0.0000,  0.0000,  0.0000)
   1 Au     5.009128    1.987364    9.947868    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.989700    2.004154   12.017785    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.996568    0.005176   11.991700    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.986093    0.019287   14.024047    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.992018    1.985446   13.987812    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.982878    1.966771   16.014119    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.983761    0.020765   16.054805    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.983161    0.002083   17.995906    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.006143    1.951851   18.046523    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.969730    4.025054    9.950262    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.007510    6.030929   10.025969    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.982244    6.020539   11.986922    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.002975    4.005359   11.987492    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.971036    3.993208   13.980409    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.982347    6.033112   13.988457    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.974031    6.054667   16.024730    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.995048    3.982157   16.017852    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.934031    4.010766   18.126038    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.989277    6.067763   18.059777    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.020926    4.009834   19.958551    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.992513   -0.009540   10.007545    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.970981    2.013575   10.012402    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.000465    2.012211   12.003644    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.979516   -0.000892   11.990727    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.998072    0.031876   14.009400    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.983384    2.000521   14.011115    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.004411    1.970747   16.020366    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.993842    0.014819   16.020815    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.004258    0.027293   18.019427    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.967214    1.965773   18.012556    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.014692    4.021427   10.027297    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.971706    6.008742   10.004063    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.001992    6.008206   11.983041    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.972504    4.012791   12.001580    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.017810    3.988451   13.976144    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.995255    6.015171   13.989421    ( 0.0000,  0.0000,  0.0000)
  37 Au     7.008705    6.050557   16.038367    ( 0.0000,  0.0000,  0.0000)
  38 Au     0.986098    3.994512   16.032086    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.026281    3.993391   18.070595    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.989480    6.051974   18.037142    ( 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 11:52:42  -119.006521  -2.35
iter:   2 11:53:30  -130.540813  -1.85  -2.14
iter:   3 11:54:17  -118.691418  -2.34  -1.71
iter:   4 11:55:05  -117.783798  -2.92  -2.28
iter:   5 11:55:52  -117.683083  -3.55  -2.68
iter:   6 11:56:39  -117.687715c -4.11  -2.96
iter:   7 11:57:26  -117.663683c -4.58  -2.92
iter:   8 11:58:14  -117.659825c -4.48  -3.21
iter:   9 11:59:01  -117.659828c -5.08  -3.43
iter:  10 11:59:48  -117.659126c -5.56  -3.50
iter:  11 12:00:37  -117.658988c -5.31  -3.62
iter:  12 12:01:26  -117.658837c -5.87  -3.82
iter:  13 12:02:15  -117.661329c -5.77  -3.86
iter:  14 12:03:05  -117.658690c -6.09  -3.55
iter:  15 12:03:55  -117.658618c -6.19  -4.09c
iter:  16 12:04:44  -117.658691c -6.71  -4.35c
iter:  17 12:05:33  -117.658664c -7.01  -4.38c
iter:  18 12:06:22  -117.658694c -7.23  -4.46c
iter:  19 12:07:10  -117.658652c -7.08  -4.52c
iter:  20 12:07:59  -117.658773c -7.57c -4.72c

Converged after 20 iterations.

Dipole moment: (-4.052631, -4.516171, 0.061503) |e|*Ang

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

Kinetic:       -196.726796
Potential:      +25.208469
External:        +0.000000
XC:             +57.823013
Entropy (-ST):   -2.191694
Local:           -2.867612
--------------------------
Free energy:   -118.754620
Extrapolated:  -117.658773

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34214    1.40258
  0   304     -0.31989    1.30543
  0   305     -0.29350    1.18148
  0   306     -0.26664    1.04920

  1   303     -0.31080    1.26367
  1   304     -0.29327    1.18038
  1   305     -0.25826    1.00733
  1   306     -0.22390    0.83700


Fermi level: -0.25679

No gap

Forces in eV/Ang:
  0 Pd    0.00002    0.00627   -0.00913
  1 Au   -0.00326    0.01173   -0.12848
  2 Pd    0.01095    0.01575   -0.10219
  3 Pd   -0.01117   -0.00487    0.00213
  4 Pd    0.01569   -0.02822   -0.03871
  5 Pd    0.00218    0.02964    0.01151
  6 Pd    0.04820    0.08684    0.05901
  7 Pd   -0.00154    0.00526   -0.01553
  8 Pd   -0.03812    0.01487    0.03136
  9 Pd   -0.02412   -0.02384    0.02600
 10 Au    0.00694   -0.01231   -0.10048
 11 Pd    0.01468    0.00366    0.03098
 12 Pd    0.03309   -0.01384    0.00007
 13 Pd   -0.03636   -0.00791   -0.04962
 14 Pd    0.02129    0.00503    0.00458
 15 Au   -0.02984   -0.01255   -0.04121
 16 Pd    0.00848   -0.06737    0.03381
 17 Au   -0.04871   -0.03447    0.14553
 18 Au   -0.08773   -0.02358    0.10746
 19 Pd   -0.01615    0.05117    0.01594
 20 Au    0.08599   -0.00841   -0.08227
 21 Pd    0.00711   -0.01016   -0.02550
 22 Pd   -0.00338    0.00777    0.01175
 23 Pd   -0.01307    0.00547   -0.03243
 24 Au    0.01315    0.01352   -0.01247
 25 Pd   -0.00545   -0.01615   -0.02936
 26 Pd   -0.00497    0.02661   -0.02441
 27 Pd   -0.04370    0.05707   -0.01217
 28 Pd   -0.02008   -0.05812   -0.04800
 29 Pd    0.03438    0.00281    0.05528
 30 Pd   -0.00905   -0.07486    0.03034
 31 Pd    0.01006    0.00132    0.01312
 32 Pd   -0.02163    0.00308   -0.03778
 33 Pd   -0.02054    0.00773    0.05659
 34 Pd    0.03580   -0.01736   -0.00856
 35 Pd   -0.00849   -0.01129    0.01406
 36 Pd    0.00145   -0.00467    0.01193
 37 Au    0.01613   -0.03623    0.05898
 38 Au    0.00961    0.03286    0.04607
 39 Pd    0.10383   -0.01862   -0.02983
 40 Pd   -0.02620    0.09727    0.01772

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.997660   -0.010956   10.006443    ( 0.0000,  0.0000,  0.0000)
   1 Au     5.011081    1.986169    9.913692    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.994121    2.007999   11.998817    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.996197    0.009615   11.986837    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.986913    0.019167   14.017839    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.991900    1.984949   13.982489    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.989624    1.979216   16.026537    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.983773    0.022593   16.058598    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.974719    0.005762   17.998564    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.004052    1.934515   18.058921    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.967547    4.024771    9.921942    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.012977    6.034903   10.037403    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.984269    6.017978   11.979717    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.995089    3.999003   11.970255    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.971991    3.991030   13.976752    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.980217    6.032132   13.987300    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.975716    6.044103   16.032824    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.985661    3.977444   16.043584    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.903171    4.006430   18.166243    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.984887    6.088576   18.069567    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.044219    4.007761   19.927763    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.992176   -0.013192   10.005005    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.967800    2.017384   10.017992    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.997012    2.011444   11.994477    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.980015    0.001309   11.986170    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.996817    0.033431   14.003624    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982904    2.001671   14.006877    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.998907    1.973795   16.019008    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.991405    0.009173   16.010976    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.011999    0.036671   18.032427    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.961979    1.942794   18.016342    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.020135    4.023287   10.035258    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.965335    6.007359    9.997702    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.000479    6.010553   11.989870    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.980017    4.010333   11.996573    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.018792    3.986871   13.977161    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.995742    6.014453   13.987543    ( 0.0000,  0.0000,  0.0000)
  37 Au     7.007092    6.045741   16.046376    ( 0.0000,  0.0000,  0.0000)
  38 Au     0.990051    3.998532   16.046336    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.052594    3.986233   18.075592    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.987811    6.076805   18.045873    ( 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 12:09:11  -118.683093  -2.23
iter:   2 12:10:00  -118.371545  -2.31  -2.18
iter:   3 12:10:48  -117.715680  -3.15  -2.34
iter:   4 12:11:37  -117.798116  -3.81  -2.89
iter:   5 12:12:24  -117.702335c -4.12  -2.65
iter:   6 12:13:14  -117.691299c -4.29  -3.01
iter:   7 12:14:02  -117.690413c -4.55  -3.26
iter:   8 12:14:50  -117.689929c -5.00  -3.38
iter:   9 12:15:37  -117.689202c -5.31  -3.47
iter:  10 12:16:26  -117.689086c -5.11  -3.58
iter:  11 12:17:16  -117.689355c -5.77  -3.76
iter:  12 12:18:05  -117.688978c -6.02  -3.82
iter:  13 12:18:54  -117.689151c -5.85  -3.82
iter:  14 12:19:43  -117.688844c -6.01  -4.02c
iter:  15 12:20:32  -117.688824c -6.80  -4.37c
iter:  16 12:21:21  -117.688812c -6.99  -4.43c
iter:  17 12:22:08  -117.688813c -6.97  -4.46c
iter:  18 12:22:56  -117.688892c -7.18  -4.62c
iter:  19 12:23:44  -117.688797c -7.59c -4.64c

Converged after 19 iterations.

Dipole moment: (-3.854319, -5.090995, 0.054206) |e|*Ang

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

Kinetic:       -200.022306
Potential:      +27.891021
External:        +0.000000
XC:             +58.411184
Entropy (-ST):   -2.188731
Local:           -2.874330
--------------------------
Free energy:   -118.783163
Extrapolated:  -117.688797

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.35158    1.41405
  0   304     -0.32521    1.29923
  0   305     -0.29857    1.17369
  0   306     -0.27413    1.05323

  1   303     -0.31680    1.26045
  1   304     -0.30087    1.18480
  1   305     -0.26673    1.01626
  1   306     -0.23175    0.84269


Fermi level: -0.26348

No gap

Forces in eV/Ang:
  0 Pd   -0.00964    0.00396   -0.02920
  1 Au    0.00573    0.01027   -0.05785
  2 Pd    0.01362    0.00222   -0.04199
  3 Pd   -0.01452    0.01423    0.00850
  4 Pd    0.01297    0.00173    0.01319
  5 Pd   -0.01872    0.06474    0.04475
  6 Pd   -0.02317   -0.00613   -0.00069
  7 Pd   -0.00870   -0.00905   -0.04322
  8 Pd   -0.01856    0.00519    0.01629
  9 Pd   -0.01426    0.01664   -0.00246
 10 Au    0.01372    0.01108   -0.05252
 11 Pd   -0.00216   -0.02023   -0.02140
 12 Pd    0.00116   -0.02434    0.00778
 13 Pd   -0.00408    0.00217    0.01480
 14 Pd    0.02783   -0.00190    0.03598
 15 Au   -0.02412   -0.05609   -0.00225
 16 Pd    0.01223   -0.01253    0.02296
 17 Au    0.00168    0.01892    0.09702
 18 Au   -0.01902   -0.00077    0.04334
 19 Pd   -0.00364   -0.00756   -0.01332
 20 Au    0.04200    0.00445    0.02033
 21 Pd    0.00826    0.00573   -0.02366
 22 Pd    0.00643   -0.00948   -0.04007
 23 Pd   -0.03226    0.01817   -0.00195
 24 Au    0.02473   -0.01512    0.00589
 25 Pd   -0.00980   -0.02481    0.01152
 26 Pd    0.02639    0.03578    0.01574
 27 Pd   -0.01041    0.03611   -0.00453
 28 Pd    0.01146   -0.00645   -0.05053
 29 Pd   -0.01210   -0.04998    0.00407
 30 Pd    0.01574   -0.01337    0.01016
 31 Pd   -0.01832    0.00323   -0.01717
 32 Pd    0.00525    0.00998   -0.00456
 33 Pd    0.00568   -0.02046    0.04802
 34 Pd    0.01873    0.01783    0.02062
 35 Pd   -0.04169   -0.00499    0.02130
 36 Pd    0.01279   -0.02234    0.02103
 37 Au   -0.02097   -0.00961    0.04189
 38 Au    0.01391   -0.00806   -0.02901
 39 Pd    0.06020   -0.00190   -0.05534
 40 Pd   -0.02644    0.04214    0.01308

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.997508   -0.011016   10.002975    ( 0.0000,  0.0000,  0.0000)
   1 Au     5.012829    1.986541    9.894545    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.997747    2.009634   11.987823    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.994607    0.014051   11.985386    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.988313    0.020429   14.017875    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.989316    1.991947   13.985184    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.988008    1.981513   16.030366    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.982861    0.021859   16.055247    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.969634    0.007687   18.000972    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.002055    1.929162   18.063736    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.968068    4.026459    9.905280    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.014762    6.034048   10.038966    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.983994    6.014029   11.977064    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.991902    3.996288   11.965465    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.975341    3.989603   13.979656    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.977533    6.024667   13.988706    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.978014    6.039456   16.038456    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.983121    3.979430   16.063119    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.888929    4.005119   18.187070    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.982870    6.095704   18.071848    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.057798    4.007636   19.918625    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.992816   -0.013804   10.001677    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.967236    2.017731   10.015070    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.991548    2.013029   11.990836    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.982913   -0.000108   11.985273    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.995139    0.031382   14.003431    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.986313    2.005729   14.007806    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.996608    1.977867   16.018215    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.992392    0.007882   16.001311    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.012890    0.034747   18.037379    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.961839    1.932749   18.018380    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.020002    4.024507   10.036332    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.963759    6.007862    9.995428    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.001355    6.008907   11.997403    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.984950    4.012136   11.997002    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.014045    3.986230   13.980298    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.997424    6.011396   13.988982    ( 0.0000,  0.0000,  0.0000)
  37 Au     7.002557    6.043147   16.053006    ( 0.0000,  0.0000,  0.0000)
  38 Au     0.993500    3.998303   16.047851    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.069321    3.983243   18.071870    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.984641    6.090572   18.051252    ( 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 12:24:56  -117.834740  -2.86
iter:   2 12:25:46  -117.838758  -3.10  -2.60
iter:   3 12:26:35  -117.817806c -3.72  -2.70
iter:   4 12:27:25  -117.703690c -4.24  -2.64
iter:   5 12:28:13  -117.700627c -4.93  -3.28
iter:   6 12:29:00  -117.699079c -4.91  -3.36
iter:   7 12:29:48  -117.698648c -5.25  -3.55
iter:   8 12:30:34  -117.698615c -5.74  -3.70
iter:   9 12:31:22  -117.698911c -5.66  -3.82
iter:  10 12:32:12  -117.698528c -6.03  -3.90
iter:  11 12:33:00  -117.699021c -6.32  -3.93
iter:  12 12:33:48  -117.698715c -6.60  -3.97
iter:  13 12:34:36  -117.698593c -6.37  -4.20c
iter:  14 12:35:24  -117.698541c -6.81  -4.38c
iter:  15 12:36:11  -117.698513c -7.27  -4.43c
iter:  16 12:37:01  -117.698625c -7.00  -4.46c
iter:  17 12:37:49  -117.698446c -7.48c -4.47c

Converged after 17 iterations.

Dipole moment: (-3.708756, -5.071779, 0.051947) |e|*Ang

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

Kinetic:       -202.356941
Potential:      +29.824055
External:        +0.000000
XC:             +58.801122
Entropy (-ST):   -2.186642
Local:           -2.873361
--------------------------
Free energy:   -118.791767
Extrapolated:  -117.698446

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.35813    1.42440
  0   304     -0.32924    1.29918
  0   305     -0.30353    1.17813
  0   306     -0.27874    1.05604

  1   303     -0.32101    1.26128
  1   304     -0.30493    1.18494
  1   305     -0.27241    1.02448
  1   306     -0.23570    0.84226


Fermi level: -0.26752

No gap

Forces in eV/Ang:
  0 Pd   -0.00489   -0.00465   -0.02314
  1 Au    0.00425    0.00654   -0.01650
  2 Pd   -0.00435    0.00374   -0.00538
  3 Pd   -0.00760   -0.00944    0.01638
  4 Pd    0.01984   -0.00533   -0.00065
  5 Pd   -0.01235    0.03497    0.04335
  6 Pd   -0.00498   -0.01652    0.00137
  7 Pd   -0.00931    0.00536   -0.02295
  8 Pd    0.00764   -0.00240    0.00307
  9 Pd   -0.00820    0.01516   -0.01699
 10 Au    0.00745    0.01037   -0.01541
 11 Pd    0.00173   -0.01045   -0.01769
 12 Pd    0.01112   -0.00487    0.01084
 13 Pd    0.00011    0.00611    0.01119
 14 Pd    0.01998   -0.00555    0.02914
 15 Au   -0.02004   -0.01817   -0.00681
 16 Pd   -0.00947    0.01317    0.01879
 17 Au   -0.00848    0.00220    0.05810
 18 Au    0.00451    0.00890    0.01359
 19 Pd   -0.01063   -0.02036    0.00525
 20 Au    0.02683    0.01159    0.02723
 21 Pd    0.00888   -0.00103    0.00400
 22 Pd    0.00134   -0.00721   -0.02216
 23 Pd    0.00894    0.00330    0.01807
 24 Au    0.00184    0.01167    0.02040
 25 Pd   -0.00980   -0.00240    0.00806
 26 Pd   -0.00090    0.01003   -0.02145
 27 Pd    0.00348   -0.00888    0.00295
 28 Pd   -0.00945   -0.00715   -0.01415
 29 Pd   -0.02689   -0.02817   -0.02281
 30 Pd    0.00949    0.00674   -0.00186
 31 Pd   -0.01015    0.00824   -0.01564
 32 Pd    0.00315    0.00757    0.00518
 33 Pd   -0.00147   -0.00541    0.00768
 34 Pd   -0.00290   -0.00904    0.00943
 35 Pd   -0.01635   -0.00765    0.01723
 36 Pd    0.00816   -0.01387    0.02748
 37 Au    0.01450    0.01037    0.00153
 38 Au    0.01510    0.00812   -0.02454
 39 Pd    0.02090    0.00090   -0.01358
 40 Pd   -0.01159   -0.00153   -0.00702

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.997039   -0.011688    9.999327    ( 0.0000,  0.0000,  0.0000)
   1 Au     5.013790    1.987393    9.887260    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.998329    2.010726   11.984034    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.993442    0.014438   11.986695    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.990987    0.020225   14.017431    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.987146    1.997562   13.990756    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.987078    1.980592   16.031955    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.981723    0.022119   16.051716    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.969278    0.007951   18.002104    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.000550    1.929010   18.063321    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.969032    4.028092    9.898856    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.015573    6.032745   10.037502    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.985047    6.012427   11.977179    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.990665    3.995816   11.964757    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.978646    3.988506   13.984020    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.975010    6.020567   13.989423    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.977621    6.039307   16.042354    ( 0.0000,  0.0000,  0.0000)
  17 Au     4.981123    3.980832   16.075253    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.884964    4.005890   18.194649    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.980849    6.095479   18.073358    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.065134    4.009017   19.918856    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.994024   -0.014199   10.001574    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.967122    2.017109   10.011938    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.991347    2.013364   11.991802    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.983566    0.001186   11.987650    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.993472    0.030595   14.004252    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.986905    2.007498   14.005081    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.996653    1.977397   16.018428    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.991196    0.006855   15.996985    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.009862    0.031539   18.036218    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.962762    1.930570   18.018629    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.018946    4.025868   10.034875    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.963587    6.008820    9.995442    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.001529    6.008249   12.000151    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.986144    4.011294   11.997794    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.010906    3.985623   13.983782    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.998592    6.008993   13.992746    ( 0.0000,  0.0000,  0.0000)
  37 Au     7.002671    6.043314   16.053905    ( 0.0000,  0.0000,  0.0000)
  38 Au     0.996506    3.999541   16.045803    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.076570    3.982436   18.069809    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982710    6.094021   18.052065    ( 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 12:39:01  -117.716249  -3.48
iter:   2 12:39:47  -117.715844  -4.06  -3.09
iter:   3 12:40:35  -117.734952c -4.41  -3.10
iter:   4 12:41:23  -117.702992c -4.84  -2.98
iter:   5 12:42:10  -117.702075c -5.56  -3.45
iter:   6 12:42:57  -117.701761c -5.60  -3.65
iter:   7 12:43:45  -117.701647c -5.84  -3.81
iter:   8 12:44:33  -117.701665c -6.29  -3.97
iter:   9 12:45:21  -117.701678c -6.35  -4.14c
iter:  10 12:46:10  -117.701715c -6.74  -4.33c
iter:  11 12:46:57  -117.701664c -6.99  -4.38c
iter:  12 12:47:43  -117.701749c -7.22  -4.52c
iter:  13 12:48:29  -117.701591c -7.21  -4.46c
iter:  14 12:49:14  -117.701656c -7.48c -4.58c

Converged after 14 iterations.

Dipole moment: (-3.653451, -4.887518, 0.053615) |e|*Ang

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

Kinetic:       -203.465257
Potential:      +30.766147
External:        +0.000000
XC:             +58.963245
Entropy (-ST):   -2.185792
Local:           -2.872895
--------------------------
Free energy:   -118.794552
Extrapolated:  -117.701656

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.36086    1.42902
  0   304     -0.33128    1.30116
  0   305     -0.30579    1.18132
  0   306     -0.28045    1.05660

  1   303     -0.32296    1.26288
  1   304     -0.30649    1.18469
  1   305     -0.27459    1.02733
  1   306     -0.23694    0.84044


Fermi level: -0.26912

No gap

Forces in eV/Ang:
  0 Pd    0.00115   -0.00381   -0.01569
  1 Au    0.00543   -0.00215    0.00430
  2 Pd    0.00644    0.00506   -0.01004
  3 Pd   -0.00113    0.00370   -0.00357
  4 Pd    0.00533   -0.00002   -0.00283
  5 Pd   -0.00064    0.01265    0.01278
  6 Pd   -0.01197   -0.01343    0.00258
  7 Pd   -0.00672   -0.00291   -0.00154
  8 Pd    0.00562   -0.00293    0.00117
  9 Pd   -0.00182    0.00879   -0.00087
 10 Au   -0.00116    0.00588   -0.00435
 11 Pd    0.00298   -0.00072   -0.01682
 12 Pd   -0.00309   -0.00196   -0.00452
 13 Pd    0.00527   -0.00494   -0.00645
 14 Pd    0.00404   -0.00604    0.00794
 15 Au   -0.00237   -0.00451    0.00151
 16 Pd   -0.00669    0.01939    0.01242
 17 Au    0.00021    0.00086    0.02713
 18 Au    0.01109    0.00645    0.01252
 19 Pd   -0.00595   -0.00552    0.00842
 20 Au    0.01814    0.00513    0.01107
 21 Pd   -0.00061    0.00129    0.00460
 22 Pd    0.00041    0.00091   -0.01832
 23 Pd   -0.00900    0.00773    0.00054
 24 Au    0.00534   -0.00506    0.00540
 25 Pd   -0.01538    0.00336   -0.00351
 26 Pd    0.00069    0.00501   -0.00391
 27 Pd    0.00790   -0.00208    0.00427
 28 Pd    0.00260    0.00589   -0.00034
 29 Pd   -0.01936   -0.00709   -0.01624
 30 Pd    0.00056   -0.00055   -0.00835
 31 Pd   -0.00203    0.00328   -0.01235
 32 Pd    0.00396    0.00218    0.00478
 33 Pd    0.00013   -0.00581   -0.00194
 34 Pd   -0.00269   -0.00035   -0.00538
 35 Pd   -0.00749   -0.00634    0.00795
 36 Pd    0.00955   -0.00505   -0.00630
 37 Au   -0.00024    0.00219   -0.00680
 38 Au    0.00595   -0.00976   -0.00443
 39 Pd    0.01048   -0.00159    0.00186
 40 Pd   -0.00471   -0.00318   -0.00325

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    18.331    18.331   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                     87.307    87.307   1.3% ||
Hamiltonian:                                12.228     0.064   0.0% |
 Atomic:                                     2.328     1.059   0.0% |
  XC Correction:                             1.269     1.269   0.0% |
 Calculate atomic Hamiltonians:              6.120     6.120   0.1% |
 Communicate:                                0.001     0.001   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.045     0.045   0.0% |
 XC 3D grid:                                 3.669     3.669   0.1% |
LCAO initialization:                        72.721     0.480   0.0% |
 LCAO eigensolver:                           6.696     0.002   0.0% |
  Calculate projections:                     0.046     0.046   0.0% |
  DenseAtomicCorrection:                     0.040     0.040   0.0% |
  Distribute overlap matrix:                 0.008     0.008   0.0% |
  Orbital Layouts:                           0.327     0.327   0.0% |
  Potential matrix:                          6.238     6.238   0.1% |
  Sum over cells:                            0.034     0.034   0.0% |
 LCAO to grid:                              64.010    64.010   1.0% |
 Set positions (LCAO WFS):                   1.535     0.311   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.851     0.851   0.0% |
  ST tci:                                    0.293     0.293   0.0% |
  mktci:                                     0.078     0.078   0.0% |
PWDescriptor:                                0.581     0.581   0.0% |
Redistribute:                                0.037     0.037   0.0% |
SCF-cycle:                                6267.451   154.293   2.4% ||
 Davidson:                                5372.813  1096.837  16.9% |------|
  Apply H:                                 503.713   493.540   7.6% |--|
   HMM T:                                   10.173    10.173   0.2% |
  Subspace diag:                           923.895     0.034   0.0% |
   calc_h_matrix:                          663.705   155.069   2.4% ||
    Apply H:                               508.637   497.998   7.7% |--|
     HMM T:                                 10.639    10.639   0.2% |
   diagonalize:                             20.470    20.470   0.3% |
   rotate_psi:                             239.686   239.686   3.7% ||
  calc. matrices:                         1963.707   966.398  14.9% |-----|
   Apply H:                                997.309   977.040  15.0% |-----|
    HMM T:                                  20.269    20.269   0.3% |
  diagonalize:                             421.422   421.422   6.5% |--|
  rotate_psi:                              463.239   463.239   7.1% |--|
 Density:                                  455.578     0.007   0.0% |
  Atomic density matrices:                   1.693     1.693   0.0% |
  Mix:                                     174.798   174.798   2.7% ||
  Multipole moments:                         0.121     0.121   0.0% |
  Pseudo density:                          278.958   278.952   4.3% |-|
   Symmetrize density:                       0.006     0.006   0.0% |
 Hamiltonian:                              263.149     1.319   0.0% |
  Atomic:                                   48.255    21.689   0.3% |
   XC Correction:                           26.566    26.566   0.4% |
  Calculate atomic Hamiltonians:           134.368   134.368   2.1% ||
  Communicate:                               0.049     0.049   0.0% |
  Poisson:                                   0.856     0.856   0.0% |
  XC 3D grid:                               78.301    78.301   1.2% |
 Orthonormalize:                            21.619     0.003   0.0% |
  calc_s_matrix:                             3.442     3.442   0.1% |
  inverse-cholesky:                          0.368     0.368   0.0% |
  projections:                              12.148    12.148   0.2% |
  rotate_psi_s:                              5.658     5.658   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      36.065    36.065   0.6% |
-------------------------------------------------------------------
Total:                                              6494.725 100.0%

Memory usage: 1021.86 MiB
Date: Mon Mar 27 12:49:29 2023
