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

User:   lacmarco@node054.cluster
Date:   Mon Mar 27 11:02:13 2023
Arch:   x86_64
Pid:    87578
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: 183.86 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        Au       |  
 |    |    Au        Pd   |  
 |    |                   |  
 |   Pd     Pd Pd     Pd  |  
 |    PdPd      PdPd      |  
 |    |Pd Au     Pd Pd    |  
 | Au |    PdPd      Pd   |  
 |   Pd     Au Pd     Pd  |  
 |    |                   |  
 |    PdAu      PdPd      |  
 |    |Pd Pd     Pd Au    |  
 | Pd |    PdPd      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 Au     2.988209    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.993657    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
   6 Au     2.988209    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.993657    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.988209    0.000000   18.021790    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993657    2.005447   18.021790    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.988209    4.010895   10.000000    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.993657    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.988209    6.016342   12.005447    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.993657    4.010895   12.005447    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.988209    4.010895   14.010895    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993657    6.016342   14.010895    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.988209    6.016342   16.016342    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.993657    4.010895   16.016342    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.988209    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  19 Au     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 Au     6.999104    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.982762    0.000000   12.005447    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.999104    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982762    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.999104    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.982762    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.999104    0.000000   18.021790    ( 0.0000,  0.0000,  0.0000)
  30 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 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 11:04:15  -152.265234
iter:   2 11:04:57  -142.812040  -1.27  -1.20
iter:   3 11:05:38  -147.920891  -1.48  -1.27
iter:   4 11:06:18  -146.698404  -1.24  -1.25
iter:   5 11:06:57  -136.621787  -0.62  -1.29
iter:   6 11:07:38  -126.093562  -1.60  -1.62
iter:   7 11:08:18  -119.700038  -1.74  -1.76
iter:   8 11:08:57  -118.870993  -2.20  -1.82
iter:   9 11:09:38  -119.103629  -2.33  -1.94
iter:  10 11:10:18  -117.868622  -2.59  -1.99
iter:  11 11:10:57  -117.642766  -2.78  -2.15
iter:  12 11:11:37  -117.535066  -2.87  -2.22
iter:  13 11:12:19  -117.443019c -3.34  -2.25
iter:  14 11:12:57  -117.350369c -3.26  -2.31
iter:  15 11:13:39  -117.451148c -3.24  -2.43
iter:  16 11:14:26  -117.370851c -3.63  -2.44
iter:  17 11:15:06  -117.319266c -3.94  -2.56
iter:  18 11:15:45  -117.318676c -3.96  -2.73
iter:  19 11:16:55  -117.306449c -4.31  -2.84
iter:  20 11:18:00  -117.298464c -4.23  -2.91
iter:  21 11:18:45  -117.298498c -4.55  -3.05
iter:  22 11:19:32  -117.318142c -4.49  -3.13
iter:  23 11:20:20  -117.294958c -4.68  -2.95
iter:  24 11:21:07  -117.293829c -5.36  -3.35
iter:  25 11:21:54  -117.293272c -5.28  -3.58
iter:  26 11:22:40  -117.293275c -5.83  -3.88
iter:  27 11:23:27  -117.293367c -6.58  -4.03c
iter:  28 11:24:13  -117.293451c -6.76  -4.11c
iter:  29 11:25:00  -117.293643c -6.71  -4.07c
iter:  30 11:25:47  -117.293615c -7.16  -4.10c
iter:  31 11:26:34  -117.293654c -7.04  -4.26c
iter:  32 11:27:19  -117.293655c -7.37  -4.44c
iter:  33 11:28:06  -117.293631c -7.32  -4.68c
iter:  34 11:28:52  -117.293641c -8.19c -4.89c

Converged after 34 iterations.

Dipole moment: (-3.878016, -0.052482, 0.076154) |e|*Ang

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

Kinetic:       -189.247759
Potential:      +19.296361
External:        +0.000000
XC:             +56.600850
Entropy (-ST):   -2.189653
Local:           -2.848267
--------------------------
Free energy:   -118.388468
Extrapolated:  -117.293641

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.32682    1.45711
  0   304     -0.30963    1.38649
  0   305     -0.27789    1.24396
  0   306     -0.23608    1.03993

  1   303     -0.26031    1.15972
  1   304     -0.24558    1.08720
  1   305     -0.23904    1.05469
  1   306     -0.21683    0.94375


Fermi level: -0.22809

No gap

Forces in eV/Ang:
  0 Pd   -0.07025    0.04755    0.02445
  1 Au   -0.18757   -0.01468   -0.47343
  2 Pd   -0.17212    0.10943   -0.11639
  3 Pd    0.11430   -0.17035   -0.08794
  4 Au    0.18347    0.00753   -0.18423
  5 Pd    0.12995    0.12235   -0.00037
  6 Au    0.13360    0.11540    0.08204
  7 Pd    0.24700    0.00513    0.17787
  8 Pd    0.00796   -0.02442    0.06185
  9 Pd    0.22594   -0.22318    0.12853
 10 Pd   -0.08131   -0.03799    0.05791
 11 Pd    0.13826    0.00678    0.11399
 12 Au   -0.01598   -0.15792   -0.28649
 13 Pd    0.00185    0.16514    0.02660
 14 Pd    0.02048    0.00354   -0.02665
 15 Pd    0.26232   -0.15331    0.11491
 16 Pd   -0.05442   -0.07650   -0.05561
 17 Pd    0.29059   -0.02474   -0.30814
 18 Au   -0.44954    0.00366    0.57555
 19 Au    0.15807    0.46920    0.40533
 20 Au    0.11666   -0.13068   -0.35650
 21 Pd    0.07118   -0.21601    0.03870
 22 Pd    0.13908    0.01017    0.11043
 23 Au    0.21127   -0.00809    0.06239
 24 Pd   -0.11303    0.00016   -0.24271
 25 Pd   -0.14172   -0.13161    0.00108
 26 Pd   -0.14546    0.26675   -0.14232
 27 Pd   -0.08421    0.08659    0.05555
 28 Au   -0.34464   -0.17335    0.30951
 29 Pd   -0.00097    0.09433   -0.08938
 30 Pd   -0.21774    0.01058    0.05957
 31 Pd    0.08166    0.21984    0.06875
 32 Pd   -0.12753   -0.01281    0.10428
 33 Pd    0.01067    0.01671   -0.05442
 34 Pd    0.00401    0.00708   -0.07447
 35 Pd    0.01858    0.13077    0.11870
 36 Pd   -0.28814   -0.27466   -0.06418
 37 Pd    0.06117   -0.06320   -0.07252
 38 Pd   -0.26644    0.12810    0.04505
 39 Pd    0.24434   -0.13205   -0.04271
 40 Pd   -0.10034   -0.00080   -0.07726

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.981185    0.004755   10.002445    ( 0.0000,  0.0000,  0.0000)
   1 Au     4.974899    2.003979    9.952657    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.970998    2.016390   11.993808    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.005086   -0.017035   11.996653    ( 0.0000,  0.0000,  0.0000)
   4 Au     3.006556    0.000753   13.992472    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.006652    2.017682   14.010858    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.001569    2.016987   16.024547    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.018356    0.000513   16.034129    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.989005   -0.002442   18.027975    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.016250    1.983129   18.034642    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.980078    4.007096   10.005791    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.007483    6.017020   10.011399    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.986611    6.000550   11.976798    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.993841    4.027409   12.008108    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.990257    4.011249   14.008230    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.019888    6.001011   14.022386    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.982767    6.008692   16.010782    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.022716    4.008420   15.985529    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.943256    4.011261   18.079345    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.009464    6.063262   18.062323    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.005322    3.997827   19.991587    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.006222   -0.021601   10.003870    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.996670    2.006464   10.011043    ( 0.0000,  0.0000,  0.0000)
  23 Au     7.020231    2.004638   12.011686    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.971458    0.000016   11.981176    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.984932   -0.013161   14.011002    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.968216    2.032123   13.996663    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.990683    2.014107   16.021897    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.948298   -0.017335   16.047293    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.999007    0.009433   18.012852    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.960988    2.006506   18.027747    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.007270    4.032878   10.006875    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.970009    6.015062   10.010428    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.000171    6.018013   12.000006    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.983162    4.011603   11.998001    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.000962    4.023971   14.022764    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.953948    5.988877   14.004477    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.005221    6.010023   16.009090    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.956118    4.023705   16.020847    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.023537    3.997690   18.017519    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.972728    6.016262   18.014064    ( 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 11:30:05  -121.216292  -1.61
iter:   2 11:30:52  -138.703323  -1.56  -1.94
iter:   3 11:31:37  -119.214777  -2.09  -1.59
iter:   4 11:32:24  -117.742559  -2.50  -2.13
iter:   5 11:33:12  -117.582425  -3.28  -2.44
iter:   6 11:33:59  -117.575357c -3.28  -2.62
iter:   7 11:34:47  -117.607783c -3.59  -2.62
iter:   8 11:35:35  -117.487565c -3.76  -2.59
iter:   9 11:36:23  -117.485395c -4.33  -3.02
iter:  10 11:37:12  -117.484970c -4.80  -3.09
iter:  11 11:38:09  -117.481125c -4.69  -3.13
iter:  12 11:38:55  -117.481350c -4.65  -3.27
iter:  13 11:39:42  -117.481678c -5.40  -3.45
iter:  14 11:40:27  -117.480294c -5.25  -3.45
iter:  15 11:41:11  -117.480065c -5.27  -3.72
iter:  16 11:42:04  -117.480358c -5.77  -3.82
iter:  17 11:42:51  -117.479772c -5.86  -3.68
iter:  18 11:43:39  -117.479701c -6.43  -3.99
iter:  19 11:44:25  -117.479741c -6.43  -4.13c
iter:  20 11:45:12  -117.479715c -6.68  -4.23c
iter:  21 11:45:58  -117.479716c -7.07  -4.35c
iter:  22 11:46:42  -117.479749c -7.17  -4.43c
iter:  23 11:47:29  -117.479704c -7.30  -4.42c
iter:  24 11:48:17  -117.479721c -7.11  -4.46c
iter:  25 11:49:04  -117.479716c -7.71c -4.72c

Converged after 25 iterations.

Dipole moment: (-4.952663, 2.526155, 0.070517) |e|*Ang

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

Kinetic:       -193.944990
Potential:      +23.184999
External:        +0.000000
XC:             +57.252544
Entropy (-ST):   -2.191645
Local:           -2.876447
--------------------------
Free energy:   -118.575539
Extrapolated:  -117.479716

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.33255    1.45727
  0   304     -0.31368    1.37949
  0   305     -0.28302    1.24132
  0   306     -0.23857    1.02394

  1   303     -0.26637    1.16150
  1   304     -0.25345    1.09802
  1   305     -0.24814    1.07164
  1   306     -0.21572    0.90995


Fermi level: -0.23378

No gap

Forces in eV/Ang:
  0 Pd   -0.02337    0.01299    0.00168
  1 Au    0.00971    0.00741   -0.15737
  2 Pd    0.05399    0.01228   -0.01969
  3 Pd    0.03795    0.04584   -0.08698
  4 Au   -0.07114   -0.02783    0.01154
  5 Pd    0.04507    0.00019   -0.11098
  6 Au   -0.05232    0.02348    0.08129
  7 Pd    0.00259   -0.01464    0.01375
  8 Pd   -0.04490    0.02004   -0.01416
  9 Pd    0.06645   -0.05832    0.05780
 10 Pd   -0.02859   -0.03210   -0.05485
 11 Pd    0.08935   -0.00780   -0.00989
 12 Au   -0.03265    0.02707    0.02182
 13 Pd    0.06680   -0.08109   -0.05292
 14 Pd   -0.00867    0.02692    0.00432
 15 Pd   -0.00495   -0.00731    0.01848
 16 Pd    0.05753   -0.06192    0.02988
 17 Pd   -0.03105    0.09132    0.19665
 18 Au   -0.12101    0.03734    0.22439
 19 Au    0.03675    0.06242    0.18499
 20 Au    0.12028   -0.09508   -0.25622
 21 Pd   -0.00400   -0.05297   -0.02740
 22 Pd    0.03542    0.02635   -0.01336
 23 Au   -0.15505    0.02696   -0.13732
 24 Pd    0.02461   -0.06581    0.02750
 25 Pd   -0.00267   -0.00495   -0.01074
 26 Pd    0.03836   -0.02573    0.12256
 27 Pd    0.01549    0.01078   -0.04159
 28 Au    0.10120    0.08565   -0.14641
 29 Pd    0.01627    0.07316    0.09999
 30 Pd   -0.09734   -0.02261    0.02577
 31 Pd    0.00338    0.05278    0.03988
 32 Pd   -0.07763   -0.02227   -0.02402
 33 Pd    0.01831   -0.01794    0.01657
 34 Pd   -0.02707    0.04446   -0.03205
 35 Pd    0.01771   -0.01267   -0.08196
 36 Pd    0.02098    0.02401   -0.09712
 37 Pd   -0.09089   -0.04517    0.09785
 38 Pd    0.02183   -0.03430    0.05131
 39 Pd    0.05699   -0.01272    0.00569
 40 Pd   -0.07645   -0.00766    0.05178

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.977301    0.007075   10.003092    ( 0.0000,  0.0000,  0.0000)
   1 Au     4.972410    2.004512    9.926497    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.973641    2.019803   11.989454    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.011397   -0.015249   11.985481    ( 0.0000,  0.0000,  0.0000)
   4 Au     3.002252   -0.002147   13.990247    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.014037    2.020019   13.998720    ( 0.0000,  0.0000,  0.0000)
   6 Au     2.998379    2.021738   16.034985    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.023314   -0.000990   16.038999    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.984248   -0.000713   18.027598    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.027789    1.972531   18.043392    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.975415    4.002868   10.000892    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.019866    6.016296   10.012475    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.982740    6.000520   11.973762    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.001178    4.021671   12.002827    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.989697    4.014259   14.008198    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.024311    5.997311   14.026580    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.988026    6.000477   16.012995    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.024821    4.017934   16.001191    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.921522    4.015412   18.114763    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.016472    6.078964   18.090213    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.020676    3.984962   19.956835    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.007131   -0.031479   10.001608    ( 0.0000,  0.0000,  0.0000)
  22 Pd     1.003173    2.009537   10.011672    ( 0.0000,  0.0000,  0.0000)
  23 Au     7.007281    2.007432   11.997858    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.972009   -0.007175   11.979589    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.981958   -0.016192   14.009849    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.969656    2.034358   14.007366    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.990782    2.016924   16.018402    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.952837   -0.011254   16.037147    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.000767    0.019214   18.022090    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.946227    2.004235   18.031691    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.009184    4.042807   10.012535    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.959111    6.012386   10.009776    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.002374    6.016368   12.000788    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.980280    4.016596   11.993088    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.003249    4.025062   14.016052    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.950788    5.986304   13.992647    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.996444    6.003890   16.018413    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.953462    4.022380   16.027307    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.034390    3.993801   18.017333    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.962473    6.015410   18.018262    ( 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 11:50:17  -118.400274  -2.34
iter:   2 11:51:23  -119.917918  -2.32  -2.22
iter:   3 11:52:13  -118.931321  -2.58  -2.08
iter:   4 11:53:06  -117.568330  -3.29  -2.16
iter:   5 11:53:57  -117.541722  -4.00  -2.90
iter:   6 11:54:51  -117.533237c -4.45  -3.03
iter:   7 11:55:46  -117.530450c -4.54  -3.22
iter:   8 11:56:44  -117.528874c -4.89  -3.31
iter:   9 11:57:34  -117.529686c -5.39  -3.46
iter:  10 11:58:36  -117.528885c -5.58  -3.44
iter:  11 11:59:32  -117.528635c -5.42  -3.57
iter:  12 12:00:20  -117.528706c -5.93  -3.78
iter:  13 12:01:08  -117.528582c -6.33  -3.86
iter:  14 12:01:54  -117.528344c -5.95  -3.93
iter:  15 12:02:50  -117.528603c -6.23  -4.07c
iter:  16 12:03:55  -117.528159c -6.69  -3.87
iter:  17 12:05:00  -117.528114c -6.80  -4.18c
iter:  18 12:05:54  -117.528075c -6.68  -4.28c
iter:  19 12:06:45  -117.528083c -7.46c -4.44c

Converged after 19 iterations.

Dipole moment: (-5.332880, 2.664845, 0.068117) |e|*Ang

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

Kinetic:       -196.281550
Potential:      +25.057109
External:        +0.000000
XC:             +57.669454
Entropy (-ST):   -2.187787
Local:           -2.879202
--------------------------
Free energy:   -118.621977
Extrapolated:  -117.528083

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.33625    1.45939
  0   304     -0.31714    1.38081
  0   305     -0.28541    1.23772
  0   306     -0.24043    1.01745

  1   303     -0.26944    1.16106
  1   304     -0.25669    1.09844
  1   305     -0.25359    1.08304
  1   306     -0.21380    0.88479


Fermi level: -0.23694

No gap

Forces in eV/Ang:
  0 Pd   -0.00854   -0.00990   -0.00148
  1 Au    0.01284    0.00546   -0.11118
  2 Pd    0.03847   -0.01083    0.01708
  3 Pd   -0.03807    0.01886   -0.02819
  4 Au    0.02865    0.01218    0.02106
  5 Pd   -0.05666   -0.01080    0.02834
  6 Au    0.05859    0.05762    0.06148
  7 Pd   -0.05093    0.00987   -0.01860
  8 Pd   -0.04469    0.00612   -0.02763
  9 Pd   -0.00632   -0.05547   -0.04303
 10 Pd    0.00131    0.01199   -0.03346
 11 Pd    0.01301   -0.01737   -0.00672
 12 Au    0.06419    0.00229   -0.00733
 13 Pd   -0.02910   -0.01173   -0.05684
 14 Pd    0.01995   -0.01269    0.00925
 15 Pd   -0.04804    0.01820   -0.03865
 16 Pd    0.01993   -0.02627    0.07884
 17 Pd   -0.08206   -0.00852    0.16595
 18 Au   -0.08375    0.01024    0.08778
 19 Au   -0.00897    0.05320    0.09278
 20 Au    0.11172   -0.07786   -0.07542
 21 Pd    0.01115    0.00110   -0.03782
 22 Pd   -0.01371    0.00515    0.00342
 23 Au    0.01834   -0.03116   -0.08556
 24 Pd   -0.01679    0.04876    0.03289
 25 Pd    0.01450    0.01691   -0.01967
 26 Pd    0.00138   -0.01574   -0.03254
 27 Pd   -0.02447   -0.00303   -0.04249
 28 Au    0.02947   -0.03290   -0.06091
 29 Pd    0.05998    0.03096    0.04068
 30 Pd   -0.03446   -0.02937    0.02215
 31 Pd   -0.00525    0.00114   -0.02209
 32 Pd   -0.01536   -0.00795   -0.05040
 33 Pd   -0.02365    0.00809    0.03827
 34 Pd   -0.00464   -0.04807    0.00694
 35 Pd    0.00325   -0.02905   -0.02427
 36 Pd    0.01951    0.02972    0.03194
 37 Pd    0.00778    0.03253    0.05786
 38 Pd    0.05594    0.00928    0.01388
 39 Pd    0.04422    0.00239   -0.00925
 40 Pd   -0.05376    0.05413    0.00192

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.973516    0.007186   10.003403    ( 0.0000,  0.0000,  0.0000)
   1 Au     4.971479    2.005456    9.893149    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.979167    2.020843   11.988800    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.009943   -0.013009   11.975015    ( 0.0000,  0.0000,  0.0000)
   4 Au     3.005813   -0.001757   13.990679    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.010532    2.020629   13.996774    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.006466    2.033518   16.049907    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.020403   -0.000258   16.040201    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.975384    0.000847   18.023879    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.034537    1.957234   18.042555    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.972589    4.002185    9.994017    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.029137    6.013446   10.012981    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.990060    5.999526   11.968780    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.000616    4.018448   11.992078    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.992507    4.013942   14.009314    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.021683    5.996842   14.023983    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.993129    5.991871   16.025184    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.016285    4.021256   16.030782    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.894610    4.019024   18.150182    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.019994    6.098540   18.121169    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.045710    3.966019   19.925383    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.009812   -0.038074    9.995258    ( 0.0000,  0.0000,  0.0000)
  22 Pd     1.005587    2.011918   10.013408    ( 0.0000,  0.0000,  0.0000)
  23 Au     7.005224    2.004205   11.978912    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.968887   -0.003645   11.981587    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.981408   -0.016334   14.006401    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.969369    2.035397   14.006790    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.986550    2.018615   16.010889    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.956561   -0.014460   16.025714    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.010423    0.029442   18.031938    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.931961    1.998884   18.037410    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.010057    4.049789   10.012715    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.950330    6.009771   10.002939    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.000107    6.016866   12.006330    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.978187    4.012125   11.991019    ( 0.0000,  0.0000,  0.0000)
  35 Pd     7.005027    4.022445   14.010118    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.949658    5.987077   13.990850    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.993685    6.005048   16.030959    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.958099    4.024140   16.032958    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.048344    3.991099   18.015530    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.948621    6.022900   18.020006    ( 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 12:07:56  -118.428006  -2.37
iter:   2 12:08:45  -121.132312  -2.25  -2.22
iter:   3 12:09:31  -118.830043  -2.50  -2.00
iter:   4 12:10:18  -117.621717  -3.23  -2.20
iter:   5 12:11:05  -117.567731  -3.94  -2.85
iter:   6 12:11:53  -117.562216c -4.54  -3.10
iter:   7 12:12:41  -117.559377c -4.53  -3.25
iter:   8 12:13:28  -117.558311c -5.10  -3.38
iter:   9 12:14:16  -117.559042c -5.51  -3.53
iter:  10 12:15:04  -117.558905c -5.64  -3.55
iter:  11 12:15:52  -117.558557c -5.47  -3.55
iter:  12 12:16:37  -117.558467c -6.03  -3.82
iter:  13 12:17:25  -117.558337c -6.28  -3.93
iter:  14 12:18:13  -117.558062c -6.02  -4.02c
iter:  15 12:19:01  -117.557954c -6.52  -4.15c
iter:  16 12:19:47  -117.557967c -7.03  -4.12c
iter:  17 12:20:32  -117.557877c -7.06  -4.23c
iter:  18 12:21:20  -117.557856c -6.74  -4.35c
iter:  19 12:22:07  -117.557865c -7.42c -4.50c

Converged after 19 iterations.

Dipole moment: (-5.509048, 2.262580, 0.061293) |e|*Ang

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

Kinetic:       -198.943671
Potential:      +27.192171
External:        +0.000000
XC:             +58.160348
Entropy (-ST):   -2.183309
Local:           -2.875059
--------------------------
Free energy:   -118.649519
Extrapolated:  -117.557865

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34229    1.46080
  0   304     -0.32284    1.38087
  0   305     -0.29138    1.23906
  0   306     -0.24670    1.02037

  1   303     -0.27611    1.16589
  1   304     -0.26372    1.10508
  1   305     -0.25882    1.08080
  1   306     -0.21454    0.86049


Fermi level: -0.24263

No gap

Forces in eV/Ang:
  0 Pd   -0.00417   -0.00848   -0.00260
  1 Au    0.00738   -0.00371   -0.02984
  2 Pd    0.03403   -0.01159   -0.01245
  3 Pd   -0.02025    0.04436   -0.01212
  4 Au    0.01583    0.00886    0.03053
  5 Pd   -0.00708    0.02168    0.02368
  6 Au   -0.02679    0.01567    0.01109
  7 Pd   -0.01364   -0.03872   -0.00564
  8 Pd   -0.04164   -0.00249   -0.00765
  9 Pd   -0.01935   -0.04474   -0.03998
 10 Pd    0.00602    0.01489   -0.01393
 11 Pd   -0.01698   -0.00329   -0.03034
 12 Au   -0.02692   -0.00242   -0.00122
 13 Pd   -0.01718   -0.04115   -0.02141
 14 Pd    0.01617    0.00107    0.00935
 15 Pd   -0.01382   -0.02035    0.02454
 16 Pd    0.01372    0.00476    0.06226
 17 Pd   -0.01031    0.03147    0.06661
 18 Au   -0.02158    0.01252    0.03524
 19 Au   -0.02128    0.03299    0.00678
 20 Au    0.06446   -0.05133    0.05627
 21 Pd    0.00207    0.01600   -0.03276
 22 Pd   -0.00253   -0.00691   -0.02103
 23 Au   -0.03005   -0.02082    0.00503
 24 Pd    0.02561    0.00012    0.01462
 25 Pd   -0.02217    0.02610   -0.00912
 26 Pd    0.01743   -0.00897   -0.02245
 27 Pd    0.00383   -0.00943   -0.02688
 28 Au    0.01235    0.01383   -0.01158
 29 Pd    0.03412   -0.00316   -0.01058
 30 Pd    0.02395   -0.03466   -0.01157
 31 Pd   -0.00911   -0.02586   -0.04393
 32 Pd    0.03581    0.00550    0.00666
 33 Pd   -0.00194    0.00982    0.01718
 34 Pd    0.03521    0.00465    0.01847
 35 Pd   -0.05628   -0.01466    0.04292
 36 Pd    0.04388   -0.00277    0.02957
 37 Pd   -0.03590    0.01991   -0.01448
 38 Pd    0.03090   -0.00059   -0.02673
 39 Pd    0.02063    0.01044   -0.03150
 40 Pd   -0.00964    0.06301    0.01610

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.971365    0.006451   10.003268    ( 0.0000,  0.0000,  0.0000)
   1 Au     4.971569    2.005281    9.876155    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.985098    2.020199   11.986362    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.007769   -0.006788   11.969134    ( 0.0000,  0.0000,  0.0000)
   4 Au     3.008762   -0.000789   13.994168    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.009593    2.024044   13.998011    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.005280    2.039629   16.056862    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.018754   -0.005159   16.040638    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.967002    0.001112   18.021891    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.035586    1.945586   18.038302    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.971924    4.003400    9.989841    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.031151    6.012136   10.009546    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.988301    5.998644   11.966363    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.999000    4.011941   11.985726    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.995374    4.014301   14.010787    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.020065    5.993445   14.027012    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.996808    5.989016   16.036832    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.013221    4.027183   16.048949    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.881034    4.022107   18.169594    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.019277    6.110876   18.134567    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.063003    3.952402   19.919321    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.011072   -0.039321    9.989053    ( 0.0000,  0.0000,  0.0000)
  22 Pd     1.006872    2.012051   10.011471    ( 0.0000,  0.0000,  0.0000)
  23 Au     6.999825    2.000868   11.972772    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.971126   -0.003341   11.983449    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.977849   -0.013568   14.004116    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.971412    2.035247   14.004582    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.985677    2.018335   16.005006    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.959075   -0.013300   16.020432    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.017776    0.033163   18.034215    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.929012    1.992672   18.038089    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.009481    4.049894   10.007829    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.951046    6.009425   10.001933    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.999446    6.018132   12.010123    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.981813    4.011948   11.992157    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.998585    4.020149   14.013434    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.954130    5.986196   13.992804    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.987492    6.007200   16.033555    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.962664    4.024666   16.031902    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.056573    3.991026   18.010870    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.942149    6.033066   18.022869    ( 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 12:23:20  -117.769997  -2.82
iter:   2 12:24:07  -118.745509  -2.85  -2.55
iter:   3 12:24:55  -117.894881  -3.06  -2.20
iter:   4 12:25:43  -117.573849  -3.86  -2.46
iter:   5 12:26:31  -117.572721  -4.48  -3.30
iter:   6 12:27:30  -117.569815c -4.96  -3.27
iter:   7 12:28:29  -117.568915c -5.13  -3.50
iter:   8 12:29:27  -117.568663c -5.52  -3.65
iter:   9 12:30:15  -117.569670c -5.67  -3.75
iter:  10 12:31:04  -117.568578c -5.92  -3.65
iter:  11 12:32:01  -117.568584c -6.09  -3.92
iter:  12 12:33:03  -117.568584c -6.31  -4.08c
iter:  13 12:34:13  -117.568565c -6.80  -4.21c
iter:  14 12:35:02  -117.568509c -6.64  -4.26c
iter:  15 12:36:07  -117.568444c -6.77  -4.41c
iter:  16 12:36:54  -117.568470c -7.33  -4.29c
iter:  17 12:37:41  -117.568393c -7.28  -4.45c
iter:  18 12:38:29  -117.568375c -7.37  -4.67c
iter:  19 12:39:15  -117.568380c -8.04c -4.85c

Converged after 19 iterations.

Dipole moment: (-5.439585, 1.876007, 0.057527) |e|*Ang

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

Kinetic:       -201.005101
Potential:      +28.907785
External:        +0.000000
XC:             +58.492447
Entropy (-ST):   -2.180923
Local:           -2.873048
--------------------------
Free energy:   -118.658842
Extrapolated:  -117.568380

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34705    1.46305
  0   304     -0.32619    1.37728
  0   305     -0.29551    1.23881
  0   306     -0.25116    1.02175

  1   303     -0.28167    1.17253
  1   304     -0.26845    1.10778
  1   305     -0.26166    1.07408
  1   306     -0.21724    0.85320


Fermi level: -0.24681

No gap

Forces in eV/Ang:
  0 Pd    0.00204   -0.00420   -0.02058
  1 Au    0.00107   -0.00553   -0.01440
  2 Pd    0.00608   -0.00648   -0.01807
  3 Pd   -0.02054   -0.00606   -0.00604
  4 Au    0.02322   -0.00218    0.01241
  5 Pd   -0.02008    0.01570    0.04217
  6 Au   -0.00759    0.00677   -0.00817
  7 Pd   -0.01105   -0.00465   -0.00056
  8 Pd   -0.02540    0.00417    0.01780
  9 Pd   -0.01361   -0.01416   -0.01586
 10 Pd    0.00778    0.00425   -0.02069
 11 Pd   -0.01658    0.00209   -0.01492
 12 Au    0.01835    0.00743    0.01717
 13 Pd   -0.00675    0.00339   -0.01665
 14 Pd    0.02314    0.00078    0.01288
 15 Pd   -0.02082   -0.01049   -0.00755
 16 Pd   -0.01228    0.00960    0.03775
 17 Pd   -0.01187   -0.00049    0.04278
 18 Au    0.02064    0.00893    0.02728
 19 Au   -0.01301   -0.01724    0.02153
 20 Au    0.03146   -0.02911    0.03733
 21 Pd    0.00556    0.00708   -0.01987
 22 Pd   -0.00626   -0.00397   -0.00914
 23 Au    0.01774    0.01224    0.01470
 24 Pd    0.00377    0.00954    0.00531
 25 Pd   -0.01127    0.00329   -0.00501
 26 Pd    0.00496    0.00512   -0.03465
 27 Pd    0.00406   -0.00790    0.00000
 28 Au   -0.01701   -0.00204   -0.01911
 29 Pd    0.01031   -0.00895   -0.01578
 30 Pd    0.02534   -0.00626   -0.00293
 31 Pd    0.00521   -0.01915   -0.02318
 32 Pd    0.01542    0.00291    0.00424
 33 Pd   -0.00765   -0.00556   -0.00389
 34 Pd   -0.01443   -0.01856    0.00878
 35 Pd   -0.01688    0.00060    0.01980
 36 Pd    0.00736   -0.00542    0.03207
 37 Pd    0.01341    0.01839   -0.01815
 38 Pd    0.00147    0.01762   -0.00780
 39 Pd    0.01017    0.00541   -0.01916
 40 Pd   -0.00328    0.03345    0.01047

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.970265    0.005728   10.000145    ( 0.0000,  0.0000,  0.0000)
   1 Au     4.971604    2.004475    9.863103    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.989119    2.019275   11.982195    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.004282   -0.004722   11.964213    ( 0.0000,  0.0000,  0.0000)
   4 Au     3.013056   -0.001024   13.997416    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.006707    2.028030   14.003546    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.003520    2.044094   16.060171    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.016621   -0.008031   16.041174    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.958788    0.002125   18.023538    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.035301    1.937012   18.034946    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.972274    4.004093    9.984112    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.031074    6.011713   10.005906    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.990258    5.999486   11.967660    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.998075    4.008888   11.979536    ( 0.0000,  0.0000,  0.0000)
  14 Pd     3.000119    4.014877   14.013418    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.016400    5.990141   14.027377    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.997279    5.988115   16.048172    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.009806    4.030744   16.066108    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.875452    4.025334   18.186615    ( 0.0000,  0.0000,  0.0000)
  19 Au     5.017784    6.115497   18.147357    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.077538    3.940274   19.917720    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.012594   -0.039934    9.982930    ( 0.0000,  0.0000,  0.0000)
  22 Pd     1.007148    2.011925   10.009335    ( 0.0000,  0.0000,  0.0000)
  23 Au     6.998646    2.001528   11.970151    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.972644   -0.002397   11.985120    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.974424   -0.012158   14.002144    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.973266    2.036046   13.999639    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.985836    2.017325   16.001846    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.958431   -0.012473   16.013541    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.022971    0.034744   18.034225    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.929633    1.988678   18.038539    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.010216    4.048216   10.002848    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.952246    6.009338   10.001733    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.998146    6.017639   12.011452    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.980716    4.009404   11.993403    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.993659    4.019202   14.016760    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.956928    5.984968   13.997188    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.985862    6.010319   16.033442    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.964879    4.027397   16.031174    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.063083    3.991387   18.005966    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.937375    6.042575   18.026230    ( 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 12:40:27  -117.704498  -2.96
iter:   2 12:41:15  -118.463092  -3.01  -2.63
iter:   3 12:42:04  -117.761065  -3.23  -2.26
iter:   4 12:42:54  -117.576257  -4.05  -2.57
iter:   5 12:43:34  -117.575399c -4.68  -3.39
iter:   6 12:44:14  -117.573537c -5.11  -3.37
iter:   7 12:45:00  -117.572994c -5.27  -3.60
iter:   8 12:45:49  -117.572803c -5.72  -3.71
iter:   9 12:46:36  -117.574141c -5.74  -3.82
iter:  10 12:47:24  -117.572874c -6.07  -3.63
iter:  11 12:48:10  -117.572895c -6.21  -3.98
iter:  12 12:48:57  -117.572866c -6.47  -4.19c
iter:  13 12:49:46  -117.572835c -7.06  -4.31c
iter:  14 12:50:34  -117.572731c -6.75  -4.34c
iter:  15 12:51:23  -117.572659c -6.93  -4.51c
iter:  16 12:52:13  -117.572711c -7.45c -4.51c

Converged after 16 iterations.

Dipole moment: (-5.372663, 1.722371, 0.057175) |e|*Ang

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

Kinetic:       -202.830513
Potential:      +30.415440
External:        +0.000000
XC:             +58.808749
Entropy (-ST):   -2.179535
Local:           -2.876620
--------------------------
Free energy:   -118.662478
Extrapolated:  -117.572711

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.35085    1.46423
  0   304     -0.32911    1.37482
  0   305     -0.29905    1.23902
  0   306     -0.25542    1.02555

  1   303     -0.28645    1.17878
  1   304     -0.27226    1.10935
  1   305     -0.26277    1.06225
  1   306     -0.22003    0.84973


Fermi level: -0.25031

No gap

Forces in eV/Ang:
  0 Pd    0.00041   -0.00811   -0.02614
  1 Au    0.00522   -0.00689    0.00184
  2 Pd   -0.00730    0.00248   -0.01222
  3 Pd    0.01045   -0.00498   -0.00047
  4 Au    0.00586    0.00209   -0.00359
  5 Pd   -0.00405    0.00483    0.01328
  6 Au   -0.01172   -0.00347   -0.00501
  7 Pd   -0.00488   -0.00442    0.01480
  8 Pd   -0.00210    0.00562    0.01632
  9 Pd   -0.00930    0.00647    0.00479
 10 Pd    0.00047    0.00835   -0.00630
 11 Pd   -0.01271    0.00294   -0.01245
 12 Au   -0.00231   -0.01287   -0.00137
 13 Pd   -0.00084    0.01284   -0.00720
 14 Pd    0.00339    0.00238   -0.00218
 15 Pd    0.00125   -0.00569   -0.00259
 16 Pd   -0.01686    0.01465    0.00921
 17 Pd    0.00260   -0.00514   -0.00101
 18 Au    0.02169    0.00157    0.00440
 19 Au    0.00188   -0.01793    0.00974
 20 Au    0.01608   -0.01775    0.02741
 21 Pd    0.00344    0.00627    0.00133
 22 Pd   -0.00487   -0.00436   -0.01040
 23 Au   -0.00093   -0.00207    0.01346
 24 Pd   -0.00435   -0.00160   -0.00593
 25 Pd   -0.01553   -0.00537   -0.01520
 26 Pd    0.00620    0.00978   -0.01529
 27 Pd    0.00639    0.00002    0.01237
 28 Au   -0.00944    0.00415   -0.00706
 29 Pd   -0.01798   -0.01443   -0.01771
 30 Pd    0.02367    0.01642   -0.00617
 31 Pd    0.00695   -0.00776   -0.01749
 32 Pd    0.01265   -0.00159    0.01051
 33 Pd   -0.00233   -0.00392   -0.01797
 34 Pd    0.00482    0.01003   -0.00435
 35 Pd   -0.00370    0.01056    0.01000
 36 Pd   -0.00409   -0.00811   -0.00637
 37 Pd    0.00401    0.00570   -0.01254
 38 Pd   -0.00078    0.00718    0.00759
 39 Pd   -0.00081    0.00212   -0.00219
 40 Pd    0.00918   -0.00007    0.00326

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    22.485    22.484   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                     95.722    95.722   1.4% ||
Hamiltonian:                                13.336     0.092   0.0% |
 Atomic:                                     1.780     0.707   0.0% |
  XC Correction:                             1.073     1.073   0.0% |
 Calculate atomic Hamiltonians:              7.839     7.839   0.1% |
 Communicate:                                0.010     0.010   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.064     0.064   0.0% |
 XC 3D grid:                                 3.551     3.551   0.1% |
LCAO initialization:                        66.385     0.378   0.0% |
 LCAO eigensolver:                           5.849     0.002   0.0% |
  Calculate projections:                     0.036     0.036   0.0% |
  DenseAtomicCorrection:                     0.031     0.031   0.0% |
  Distribute overlap matrix:                 0.007     0.007   0.0% |
  Orbital Layouts:                           0.286     0.286   0.0% |
  Potential matrix:                          5.454     5.454   0.1% |
  Sum over cells:                            0.034     0.034   0.0% |
 LCAO to grid:                              58.897    58.897   0.9% |
 Set positions (LCAO WFS):                   1.261     0.262   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.700     0.700   0.0% |
  ST tci:                                    0.231     0.231   0.0% |
  mktci:                                     0.067     0.067   0.0% |
PWDescriptor:                                0.472     0.472   0.0% |
Redistribute:                                0.053     0.053   0.0% |
SCF-cycle:                                6385.366   354.309   5.4% |-|
 Davidson:                                5214.939  1007.850  15.2% |-----|
  Apply H:                                 540.036   526.452   8.0% |--|
   HMM T:                                   13.584    13.584   0.2% |
  Subspace diag:                           894.411     0.042   0.0% |
   calc_h_matrix:                          660.306   135.162   2.0% ||
    Apply H:                               525.144   510.967   7.7% |--|
     HMM T:                                 14.176    14.176   0.2% |
   diagonalize:                             18.217    18.217   0.3% |
   rotate_psi:                             215.846   215.846   3.3% ||
  calc. matrices:                         1865.171   818.868  12.4% |----|
   Apply H:                               1046.304  1019.456  15.4% |-----|
    HMM T:                                  26.848    26.848   0.4% |
  diagonalize:                             512.329   512.329   7.7% |--|
  rotate_psi:                              395.141   395.141   6.0% |-|
 Density:                                  506.071     0.008   0.0% |
  Atomic density matrices:                   2.851     2.851   0.0% |
  Mix:                                     193.584   193.584   2.9% ||
  Multipole moments:                         0.126     0.126   0.0% |
  Pseudo density:                          309.502   309.494   4.7% |-|
   Symmetrize density:                       0.008     0.008   0.0% |
 Hamiltonian:                              289.969     1.788   0.0% |
  Atomic:                                   59.986    38.768   0.6% |
   XC Correction:                           21.217    21.217   0.3% |
  Calculate atomic Hamiltonians:           151.590   151.590   2.3% ||
  Communicate:                               0.406     0.406   0.0% |
  Poisson:                                   1.148     1.148   0.0% |
  XC 3D grid:                               75.050    75.050   1.1% |
 Orthonormalize:                            20.078     0.004   0.0% |
  calc_s_matrix:                             3.072     3.072   0.0% |
  inverse-cholesky:                          0.326     0.326   0.0% |
  projections:                              11.474    11.474   0.2% |
  rotate_psi_s:                              5.202     5.202   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      32.645    32.645   0.5% |
-------------------------------------------------------------------
Total:                                              6616.465 100.0%

Memory usage: 1.00 GiB
Date: Mon Mar 27 12:52:30 2023
