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

User:   lacmarco@node418.cluster
Date:   Mon Mar 27 09:54:47 2023
Arch:   x86_64
Pid:    2816
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: 183.93 MiB
  Calculator: 504.68 MiB
    Density: 54.04 MiB
      Arrays: 22.22 MiB
      Localized functions: 23.28 MiB
      Mixer: 8.54 MiB
    Hamiltonian: 15.09 MiB
      Arrays: 14.53 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.57 MiB
    Wavefunctions: 435.54 MiB
      Arrays psit_nG: 199.03 MiB
      Eigensolver: 222.73 MiB
      Projections: 2.09 MiB
      Projectors: 2.82 MiB
      PW-descriptor: 8.88 MiB

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

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

... initialized

Initializing position-dependent things.

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

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

Positions:
   0 Pd     2.988209    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993657    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
   2 Au     2.988209    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
   3 Au     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 Pd     2.988209    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993657    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993657    4.010895   20.027237    ( 0.0000,  0.0000,  0.0000)
  21 Au     6.999104    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982762    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.999104    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.982762    0.000000   12.005447    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.999104    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982762    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
  27 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 Au     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 09:57:21  -151.804075
iter:   2 09:58:18  -143.585627  -1.27  -1.20
iter:   3 09:59:15  -154.705290  -1.46  -1.27
iter:   4 10:00:11  -137.346677  -1.48  -1.22
iter:   5 10:01:08  -126.462045  -0.68  -1.31
iter:   6 10:02:04  -122.423317  -1.57  -1.66
iter:   7 10:03:03  -119.456047  -2.18  -1.79
iter:   8 10:04:00  -118.018342  -1.91  -1.85
iter:   9 10:04:57  -119.227619  -2.45  -2.00
iter:  10 10:05:53  -118.229527  -2.67  -1.98
iter:  11 10:06:50  -117.959740  -3.31  -2.12
iter:  12 10:07:46  -117.499614  -3.17  -2.17
iter:  13 10:08:43  -117.380064  -2.79  -2.31
iter:  14 10:09:40  -117.216427c -3.32  -2.44
iter:  15 10:10:37  -117.150506c -3.16  -2.63
iter:  16 10:11:34  -117.125960c -4.13  -2.82
iter:  17 10:12:31  -117.117739c -4.15  -2.96
iter:  18 10:13:29  -117.114416c -4.48  -3.06
iter:  19 10:14:29  -117.113201c -4.68  -3.24
iter:  20 10:15:28  -117.112022c -4.97  -3.32
iter:  21 10:16:26  -117.111284c -5.22  -3.37
iter:  22 10:17:26  -117.110306c -5.40  -3.51
iter:  23 10:18:27  -117.110573c -5.83  -3.64
iter:  24 10:19:28  -117.110179c -5.58  -3.67
iter:  25 10:20:29  -117.110261c -6.26  -3.83
iter:  26 10:21:30  -117.110231c -6.80  -3.89
iter:  27 10:22:32  -117.109997c -6.05  -3.94
iter:  28 10:23:33  -117.110048c -6.40  -3.86
iter:  29 10:24:35  -117.109990c -7.01  -4.29c
iter:  30 10:25:35  -117.110011c -6.78  -4.26c
iter:  31 10:26:36  -117.110032c -7.46c -4.43c

Converged after 31 iterations.

Dipole moment: (-4.596947, -0.059014, 0.063376) |e|*Ang

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

Kinetic:       -182.463728
Potential:      +13.217809
External:        +0.000000
XC:             +56.090127
Entropy (-ST):   -2.167298
Local:           -2.870592
--------------------------
Free energy:   -118.193682
Extrapolated:  -117.110032

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.36108    1.47790
  0   304     -0.34718    1.42251
  0   305     -0.30400    1.23064
  0   306     -0.27735    1.10125

  1   303     -0.30892    1.25376
  1   304     -0.28493    1.13860
  1   305     -0.25694    0.99954
  1   306     -0.24557    0.94277


Fermi level: -0.25703

No gap

Forces in eV/Ang:
  0 Pd   -0.05540    0.07646   -0.21668
  1 Pd    0.05958    0.19378   -0.06751
  2 Au   -0.17535    0.34206   -0.32723
  3 Au    0.30951    0.00907   -0.11686
  4 Au   -0.00050   -0.17054    0.18398
  5 Pd    0.40700    0.29122    0.13658
  6 Au    0.13675    0.30432    0.29824
  7 Pd    0.24969   -0.11917    0.35730
  8 Pd    0.10632   -0.13664    0.03700
  9 Pd    0.12188   -0.12246    0.08982
 10 Pd    0.06820   -0.07461   -0.04354
 11 Pd    0.04215   -0.20439   -0.07678
 12 Au    0.03941   -0.35154   -0.11301
 13 Pd    0.23451   -0.00403   -0.09839
 14 Pd    0.02036    0.13845    0.12485
 15 Pd    0.25754   -0.28317    0.29545
 16 Pd    0.06818   -0.19397    0.21687
 17 Pd    0.10321    0.11271    0.00811
 18 Pd   -0.11436    0.10904    0.09477
 19 Pd   -0.00071    0.13819   -0.05302
 20 Au   -0.00614   -0.00330   -0.57868
 21 Au    0.05255    0.12600   -0.51508
 22 Pd   -0.03557    0.07846    0.04848
 23 Pd    0.10722    0.26593    0.05749
 24 Pd   -0.20916    0.16496   -0.01387
 25 Pd    0.00371   -0.00522    0.02634
 26 Pd   -0.39705    0.26934   -0.10117
 27 Pd   -0.08764    0.07048    0.05024
 28 Au   -0.33388   -0.16351    0.30629
 29 Pd   -0.09830    0.00174   -0.11191
 30 Pd   -0.13442    0.09483    0.01347
 31 Pd   -0.11036   -0.08571    0.21043
 32 Au   -0.04863   -0.11877   -0.52091
 33 Pd   -0.02147   -0.26318    0.18575
 34 Pd   -0.20089   -0.16262    0.04838
 35 Pd   -0.02386   -0.00338    0.03309
 36 Pd   -0.27437   -0.26760    0.03879
 37 Pd   -0.07766   -0.06928    0.04561
 38 Pd   -0.10737    0.12530    0.17667
 39 Pd    0.14041   -0.00370   -0.04962
 40 Pd   -0.00367   -0.10482   -0.12083

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.982669    0.007646    9.978332    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.999614    2.024825    9.993249    ( 0.0000,  0.0000,  0.0000)
   2 Au     2.970675    2.039653   11.972724    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.024607    0.000907   11.993761    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.988159   -0.017054   14.029292    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.034356    2.034570   14.024553    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.001884    2.035880   16.046166    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.018626   -0.011917   16.052072    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.998842   -0.013664   18.025489    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.005845    1.993201   18.030771    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.995029    4.003433    9.995646    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.997872    5.995903    9.992322    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.992150    5.981188   11.994147    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.017108    4.010492   11.995608    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.990246    4.024740   14.023379    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.019410    5.988025   14.040440    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.995027    5.996945   16.038030    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.003978    4.022166   16.017153    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.976773    4.021799   18.031266    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993585    6.030161   18.016488    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993042    4.010565   19.969369    ( 0.0000,  0.0000,  0.0000)
  21 Au     7.004359    0.012600    9.948492    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.979205    2.013293   10.004848    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.009826    2.032040   12.011196    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.961845    0.016496   12.004061    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.999475   -0.000522   14.013528    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.943056    2.032381   14.000777    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.990339    2.012495   16.021366    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.949373   -0.016351   16.046971    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.989274    0.000174   18.010599    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.969319    2.014930   18.023136    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.988068    4.002324   10.021043    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.977899    6.004465    9.947909    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.996957    5.990024   12.024022    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.962672    3.994633   12.010285    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.996718    4.010557   14.014204    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.955325    5.989582   14.014773    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.991338    6.009415   16.020903    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.972025    4.023425   16.034009    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.013145    4.010524   18.016827    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982394    6.005860   18.009707    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:28:10  -131.951465  -1.33
iter:   2 10:29:15  -204.959285  -0.81  -1.64
iter:   3 10:30:19  -126.215942  -1.51  -1.24
iter:   4 10:31:23  -118.291754  -1.93  -1.84
iter:   5 10:32:27  -117.673348  -2.67  -2.26
iter:   6 10:33:32  -117.562390  -2.67  -2.41
iter:   7 10:34:36  -117.475456c -3.37  -2.47
iter:   8 10:35:41  -117.361806c -3.96  -2.54
iter:   9 10:36:46  -117.342691c -3.65  -2.80
iter:  10 10:37:50  -117.342317c -4.29  -2.97
iter:  11 10:38:53  -117.338515c -4.75  -3.02
iter:  12 10:39:57  -117.336008c -4.36  -3.11
iter:  13 10:40:59  -117.348904c -4.89  -3.27
iter:  14 10:42:02  -117.336499c -4.86  -3.08
iter:  15 10:43:04  -117.334824c -5.12  -3.35
iter:  16 10:44:08  -117.334160c -5.17  -3.57
iter:  17 10:45:11  -117.334140c -5.65  -3.81
iter:  18 10:46:13  -117.333915c -6.08  -3.91
iter:  19 10:47:17  -117.334028c -6.11  -3.99
iter:  20 10:48:20  -117.333893c -6.24  -4.10c
iter:  21 10:49:23  -117.333974c -6.51  -3.88
iter:  22 10:50:25  -117.333945c -6.96  -4.31c
iter:  23 10:51:29  -117.333910c -6.84  -4.40c
iter:  24 10:52:32  -117.333929c -7.23  -4.53c
iter:  25 10:53:35  -117.333897c -7.14  -4.61c
iter:  26 10:54:38  -117.333944c -7.49c -4.70c

Converged after 26 iterations.

Dipole moment: (-6.505241, 0.930663, 0.069758) |e|*Ang

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

Kinetic:       -191.206113
Potential:      +20.914747
External:        +0.000000
XC:             +56.903304
Entropy (-ST):   -2.175796
Local:           -2.857985
--------------------------
Free energy:   -118.421842
Extrapolated:  -117.333944

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.36081    1.46938
  0   304     -0.33913    1.38068
  0   305     -0.30370    1.22004
  0   306     -0.27645    1.08725

  1   303     -0.31445    1.27055
  1   304     -0.28612    1.13496
  1   305     -0.25850    0.99767
  1   306     -0.25139    0.96219


Fermi level: -0.25896

No gap

Forces in eV/Ang:
  0 Pd   -0.01778   -0.00104   -0.01111
  1 Pd    0.06395    0.07883   -0.05313
  2 Au    0.10319   -0.08469    0.13989
  3 Au   -0.03135    0.03166   -0.01508
  4 Au    0.02361    0.06858    0.05151
  5 Pd   -0.02114    0.00701    0.01180
  6 Au   -0.03488   -0.05862   -0.00918
  7 Pd   -0.00384    0.01084    0.04837
  8 Pd    0.01539   -0.05548    0.00171
  9 Pd    0.09340   -0.09049    0.06420
 10 Pd    0.01712    0.00855   -0.15781
 11 Pd    0.06725   -0.07793   -0.05173
 12 Au   -0.04547    0.04729   -0.03280
 13 Pd    0.03716   -0.02997    0.01592
 14 Pd    0.00005   -0.01880    0.06515
 15 Pd    0.02931   -0.00956    0.06633
 16 Pd   -0.00742   -0.01679    0.06210
 17 Pd    0.06385    0.02444    0.15660
 18 Pd   -0.10888    0.07521    0.10570
 19 Pd    0.03139    0.07044    0.01901
 20 Au    0.01258    0.01262   -0.34198
 21 Au    0.03342    0.02807   -0.27627
 22 Pd   -0.08547    0.05913   -0.07890
 23 Pd   -0.03498   -0.02150   -0.06247
 24 Pd   -0.02814   -0.08027   -0.04728
 25 Pd   -0.01116   -0.01287    0.03051
 26 Pd    0.01972    0.01282    0.15762
 27 Pd   -0.00529    0.05222    0.06600
 28 Au    0.07594    0.06643   -0.01510
 29 Pd   -0.05291   -0.00194    0.09601
 30 Pd   -0.08289    0.03696    0.02677
 31 Pd   -0.03233   -0.02754    0.02471
 32 Au   -0.04882   -0.05285   -0.21338
 33 Pd    0.06957    0.01986   -0.07017
 34 Pd   -0.05463    0.10002   -0.05268
 35 Pd    0.00303    0.01579    0.12123
 36 Pd   -0.03929   -0.04617    0.01697
 37 Pd   -0.02970   -0.07751    0.06422
 38 Pd   -0.04644    0.00039    0.06477
 39 Pd    0.09425    0.00944   -0.00252
 40 Pd   -0.02383   -0.07250    0.03875

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.979601    0.008941    9.973045    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.008064    2.037469    9.985896    ( 0.0000,  0.0000,  0.0000)
   2 Au     2.979284    2.036254   11.982739    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.026735    0.004712   11.989866    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.990862   -0.012332   14.038617    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.039462    2.040765   14.028438    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.000409    2.034778   16.050632    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.022807   -0.012877   16.064244    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.002578   -0.022567   18.026370    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.018832    1.980538   18.039810    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.998259    4.003034    9.976708    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.006378    5.983167    9.984958    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.987655    5.980114   11.988286    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.025719    4.006974   11.995615    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.990628    4.025143   14.033176    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.027545    5.981685   14.053529    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.995437    5.991426   16.049180    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.013224    4.027060   16.035295    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.962146    4.032459   18.045165    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.997179    6.040812   18.017690    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.994374    4.011953   19.919366    ( 0.0000,  0.0000,  0.0000)
  21 Au     7.009171    0.018157    9.907216    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.968726    2.021539    9.996681    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.007792    2.034492   12.005083    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.954740    0.010327   11.998371    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.998262   -0.002097   14.017522    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.937972    2.038839   14.017014    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.988110    2.019799   16.029879    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.951918   -0.011745   16.050906    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.981375   -0.000017   18.019559    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.957308    2.020932   18.026461    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.982311    3.997573   10.027777    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.971389    5.996194    9.913750    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.004552    5.987434   12.019399    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.952677    4.003113   12.005128    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.996624    4.012308   14.028746    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.945732    5.979324   14.017441    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.986488    5.999227   16.029125    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.964702    4.025789   16.044721    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.026573    4.011540   18.015619    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.979588    5.995590   18.011922    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:56:12  -123.723630  -2.00
iter:   2 10:57:16  -169.468399  -1.14  -1.82
iter:   3 10:58:19  -122.825342  -1.80  -1.38
iter:   4 10:59:22  -117.837611  -2.25  -1.97
iter:   5 11:00:26  -117.487743  -2.98  -2.47
iter:   6 11:01:32  -117.496699  -3.54  -2.69
iter:   7 11:02:37  -117.408859c -3.81  -2.68
iter:   8 11:03:42  -117.400457c -4.38  -2.94
iter:   9 11:04:46  -117.393185c -4.40  -3.01
iter:  10 11:05:51  -117.388952c -4.65  -3.17
iter:  11 11:06:58  -117.388177c -5.19  -3.31
iter:  12 11:08:04  -117.403789c -4.64  -3.39
iter:  13 11:09:09  -117.386502c -5.09  -3.02
iter:  14 11:10:14  -117.386436c -5.82  -3.67
iter:  15 11:11:20  -117.385718c -5.69  -3.67
iter:  16 11:12:24  -117.385709c -6.11  -3.87
iter:  17 11:13:16  -117.385584c -6.18  -4.00
iter:  18 11:14:21  -117.385739c -6.53  -4.19c
iter:  19 11:15:26  -117.385574c -6.90  -4.27c
iter:  20 11:16:31  -117.385773c -6.78  -4.16c
iter:  21 11:17:35  -117.385742c -6.97  -4.40c
iter:  22 11:18:40  -117.385690c -7.45c -4.56c

Converged after 22 iterations.

Dipole moment: (-7.172219, 0.837176, 0.073876) |e|*Ang

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

Kinetic:       -194.132909
Potential:      +23.290387
External:        +0.000000
XC:             +57.442116
Entropy (-ST):   -2.175231
Local:           -2.897669
--------------------------
Free energy:   -118.473305
Extrapolated:  -117.385690

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.36458    1.47408
  0   304     -0.34018    1.37420
  0   305     -0.30363    1.20749
  0   306     -0.27786    1.08152

  1   303     -0.31980    1.28343
  1   304     -0.28841    1.13362
  1   305     -0.26080    0.99641
  1   306     -0.25466    0.96573


Fermi level: -0.26152

No gap

Forces in eV/Ang:
  0 Pd   -0.01342    0.00172    0.03512
  1 Pd    0.01001    0.00567   -0.03304
  2 Au   -0.03361   -0.00862    0.02964
  3 Au    0.01453   -0.05067   -0.05911
  4 Au    0.01213   -0.03226   -0.01510
  5 Pd   -0.03163   -0.02463    0.03629
  6 Au    0.02338    0.01056    0.07722
  7 Pd   -0.02437    0.03177   -0.04806
  8 Pd   -0.02420   -0.00909    0.01721
  9 Pd    0.00671   -0.07892   -0.00751
 10 Pd   -0.00463   -0.01615   -0.03706
 11 Pd    0.04546   -0.00466    0.00404
 12 Au   -0.01345    0.04412   -0.01581
 13 Pd   -0.06300    0.03450    0.05163
 14 Pd    0.00206    0.00348    0.01279
 15 Pd   -0.05622    0.05124   -0.04174
 16 Pd   -0.02304    0.01887   -0.01567
 17 Pd   -0.05862   -0.05662    0.14454
 18 Pd   -0.10102   -0.01159    0.00751
 19 Pd    0.02395    0.06625    0.02255
 20 Au    0.02993    0.01863   -0.11149
 21 Au   -0.01311   -0.00335   -0.12520
 22 Pd    0.00353    0.04026   -0.00129
 23 Pd    0.01564   -0.09728   -0.00133
 24 Pd   -0.00052   -0.03572   -0.05026
 25 Pd   -0.00696    0.00074    0.01964
 26 Pd    0.03679   -0.01566    0.01931
 27 Pd   -0.00622   -0.03232    0.03997
 28 Au    0.00668   -0.01240    0.01216
 29 Pd    0.03847   -0.02248    0.07525
 30 Pd   -0.02173   -0.01137    0.04025
 31 Pd    0.00246    0.00617   -0.05226
 32 Au   -0.01659   -0.02176   -0.11939
 33 Pd   -0.00147    0.10406   -0.08974
 34 Pd    0.07335    0.00587   -0.03527
 35 Pd   -0.00180   -0.01669    0.02446
 36 Pd    0.05412    0.04723    0.03212
 37 Pd    0.04903    0.06227    0.06386
 38 Pd    0.04259   -0.02258    0.00856
 39 Pd    0.06819    0.01037    0.04303
 40 Pd   -0.03664    0.02425    0.05233

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.976391    0.010128    9.974280    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.012807    2.044036    9.978513    ( 0.0000,  0.0000,  0.0000)
   2 Au     2.976905    2.036123   11.988086    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.031394   -0.000421   11.980034    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.993410   -0.015911   14.041225    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.039846    2.041702   14.035435    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.003793    2.037720   16.064193    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.022779   -0.009878   16.064732    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.001481   -0.027853   18.029161    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.025193    1.964928   18.042689    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.999269    4.000312    9.964766    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.015624    5.976629    9.982320    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.984540    5.983168   11.983382    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.022185    4.010147   12.001675    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.991165    4.026637   14.039189    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.024868    5.984200   14.054769    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.993040    5.990618   16.052589    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.009639    4.022221   16.060655    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.943013    4.035521   18.051783    ( 0.0000,  0.0000,  0.0000)
  19 Pd     5.001580    6.054153   18.020705    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.998697    4.014851   19.883062    ( 0.0000,  0.0000,  0.0000)
  21 Au     7.009553    0.020550    9.872705    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.965161    2.030252    9.993871    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.009779    2.024489   12.003071    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.950746    0.004533   11.989705    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.996944   -0.002605   14.021685    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.938329    2.040891   14.024739    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.985928    2.018709   16.038469    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.951542   -0.012745   16.055892    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.982867   -0.002989   18.031834    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.949272    2.022245   18.032971    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.979831    3.996099   10.024801    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.966567    5.989609    9.882531    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.006971    5.998284   12.007294    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.957269    4.005890   11.999002    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.996202    4.010756   14.037395    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.947500    5.980002   14.022823    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.990587    6.003166   16.040677    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.966878    4.024528   16.050853    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.041185    4.013228   18.020440    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.973797    5.994339   18.018727    ( 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 11:20:15  -120.881857  -2.27
iter:   2 11:21:20  -152.011517  -1.39  -1.95
iter:   3 11:22:25  -120.908948  -1.99  -1.47
iter:   4 11:23:29  -117.657227  -2.46  -2.06
iter:   5 11:24:33  -117.455743  -3.22  -2.61
iter:   6 11:25:37  -117.465255c -3.86  -2.86
iter:   7 11:26:42  -117.421872c -4.29  -2.85
iter:   8 11:27:46  -117.420993c -4.52  -3.14
iter:   9 11:28:51  -117.415206c -4.64  -3.12
iter:  10 11:29:55  -117.413152c -5.11  -3.35
iter:  11 11:31:00  -117.412486c -5.46  -3.49
iter:  12 11:32:05  -117.412230c -5.28  -3.63
iter:  13 11:33:09  -117.412496c -5.83  -3.64
iter:  14 11:34:14  -117.411993c -6.13  -3.84
iter:  15 11:35:19  -117.411689c -6.07  -3.80
iter:  16 11:36:23  -117.411715c -6.20  -3.92
iter:  17 11:37:28  -117.411678c -6.46  -4.12c
iter:  18 11:38:32  -117.411479c -6.48  -4.11c
iter:  19 11:39:37  -117.411399c -6.89  -4.43c
iter:  20 11:40:42  -117.411422c -7.35  -4.67c
iter:  21 11:41:46  -117.411381c -7.47c -4.72c

Converged after 21 iterations.

Dipole moment: (-7.183999, 1.640519, 0.074977) |e|*Ang

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

Kinetic:       -197.391271
Potential:      +26.000236
External:        +0.000000
XC:             +57.948985
Entropy (-ST):   -2.172265
Local:           -2.883198
--------------------------
Free energy:   -118.497513
Extrapolated:  -117.411381

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37002    1.47979
  0   304     -0.34541    1.37967
  0   305     -0.30634    1.20153
  0   306     -0.28015    1.07322

  1   303     -0.32316    1.28068
  1   304     -0.29178    1.13077
  1   305     -0.26533    0.99923
  1   306     -0.25774    0.96134


Fermi level: -0.26548

No gap

Forces in eV/Ang:
  0 Pd   -0.01140    0.00517    0.02170
  1 Pd   -0.01716   -0.01435    0.00742
  2 Au   -0.00430   -0.02005   -0.00586
  3 Au   -0.00284    0.01093   -0.04294
  4 Au   -0.01062    0.01666   -0.03319
  5 Pd   -0.03295   -0.02574   -0.00054
  6 Au   -0.02049   -0.03488    0.02416
  7 Pd   -0.01712   -0.00042   -0.04726
  8 Pd   -0.03790    0.00196    0.02510
  9 Pd   -0.01001   -0.06713    0.01121
 10 Pd    0.00466   -0.00539    0.00309
 11 Pd    0.00479    0.00242   -0.01286
 12 Au   -0.02786    0.01275   -0.04358
 13 Pd   -0.01961    0.00616    0.03058
 14 Pd    0.00859    0.00079    0.00351
 15 Pd   -0.00284    0.00314   -0.00671
 16 Pd   -0.00006    0.01992   -0.00132
 17 Pd   -0.02317    0.01148    0.05795
 18 Pd   -0.06808   -0.00752    0.01153
 19 Pd   -0.00253    0.05817   -0.00353
 20 Au    0.01562    0.00933    0.02855
 21 Au   -0.00659    0.00588   -0.05628
 22 Pd    0.01700    0.00971   -0.00074
 23 Pd    0.00303   -0.03548    0.00742
 24 Pd    0.00294   -0.01488   -0.04633
 25 Pd    0.00454   -0.00413   -0.00296
 26 Pd    0.03710   -0.03609   -0.01169
 27 Pd    0.01937   -0.03363    0.01524
 28 Au    0.02143    0.02383    0.00349
 29 Pd    0.05223   -0.01235    0.06322
 30 Pd    0.00553   -0.04633    0.04507
 31 Pd    0.00527    0.00072   -0.02709
 32 Au    0.01084   -0.00669   -0.04609
 33 Pd    0.03003    0.02134   -0.03486
 34 Pd    0.01633    0.02096   -0.00304
 35 Pd   -0.00970    0.02711   -0.02075
 36 Pd    0.01410    0.02838   -0.01158
 37 Pd   -0.00240    0.02490   -0.00582
 38 Pd    0.02148   -0.01665   -0.03059
 39 Pd    0.04691    0.00410    0.02630
 40 Pd   -0.01023    0.05462    0.06575

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.973149    0.011638    9.976637    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.013039    2.046146    9.976098    ( 0.0000,  0.0000,  0.0000)
   2 Au     2.976054    2.033666   11.989311    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.033606   -0.000034   11.969737    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.993021   -0.014551   14.038853    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.036871    2.039781   14.038498    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.002106    2.034283   16.073533    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.021445   -0.009388   16.060416    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.996319   -0.030747   18.033953    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.027716    1.948124   18.046605    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.000856    3.998378    9.958889    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.020507    5.972745    9.978480    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.979009    5.984958   11.974389    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.019824    4.011658   12.007875    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.992698    4.027667   14.043198    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.025244    5.983960   14.056569    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.992475    5.992075   16.055445    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.006463    4.023195   16.079680    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.924695    4.037008   18.057574    ( 0.0000,  0.0000,  0.0000)
  19 Pd     5.003091    6.068701   18.021184    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.002548    4.017326   19.867699    ( 0.0000,  0.0000,  0.0000)
  21 Au     7.009437    0.023206    9.846760    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.965115    2.035745    9.991987    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.010922    2.017023   12.002912    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.948441    0.000154   11.979359    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.997037   -0.003579   14.023175    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.942183    2.037799   14.027254    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.987535    2.014504   16.044685    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.953953   -0.009480   16.059345    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.989773   -0.005792   18.045889    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.945625    2.016887   18.042138    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.978793    3.994915   10.021241    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.965648    5.985148    9.859998    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.013009    6.003954   11.998158    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.959423    4.010447   11.996051    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.994571    4.014407   14.039051    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.948249    5.982416   14.023329    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.990794    6.006690   16.044744    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.969563    4.022303   16.050168    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.054847    4.014496   18.025591    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.970047    6.000389   18.030515    ( 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 11:43:22  -118.520953  -2.54
iter:   2 11:44:27  -129.536569  -1.91  -2.19
iter:   3 11:45:31  -118.246017  -2.36  -1.73
iter:   4 11:46:36  -117.467764  -3.01  -2.32
iter:   5 11:47:42  -117.439176  -3.70  -2.92
iter:   6 11:48:48  -117.432048c -4.55  -3.01
iter:   7 11:49:54  -117.426131c -4.98  -3.17
iter:   8 11:50:59  -117.423744c -4.69  -3.33
iter:   9 11:52:03  -117.423251c -5.21  -3.51
iter:  10 11:53:08  -117.422616c -5.79  -3.63
iter:  11 11:54:14  -117.422754c -5.67  -3.73
iter:  12 11:55:21  -117.422485c -5.98  -3.89
iter:  13 11:56:28  -117.423110c -5.92  -3.87
iter:  14 11:57:35  -117.422204c -6.32  -3.86
iter:  15 11:58:41  -117.422151c -6.48  -4.03c
iter:  16 11:59:48  -117.422161c -6.90  -4.44c
iter:  17 12:00:55  -117.422222c -7.25  -4.54c
iter:  18 12:02:01  -117.422167c -7.44c -4.58c

Converged after 18 iterations.

Dipole moment: (-6.915158, 1.705243, 0.071965) |e|*Ang

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

Kinetic:       -200.324878
Potential:      +28.424235
External:        +0.000000
XC:             +58.452215
Entropy (-ST):   -2.168178
Local:           -2.889650
--------------------------
Free energy:   -118.506257
Extrapolated:  -117.422167

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37710    1.48714
  0   304     -0.35257    1.38816
  0   305     -0.31188    1.20328
  0   306     -0.28416    1.06748

  1   303     -0.32717    1.27535
  1   304     -0.29622    1.12720
  1   305     -0.27023    0.99795
  1   306     -0.26191    0.95634


Fermi level: -0.27064

No gap

Forces in eV/Ang:
  0 Pd   -0.00564    0.00362   -0.01121
  1 Pd   -0.01806   -0.01062    0.01860
  2 Au   -0.00608    0.01330   -0.01558
  3 Au    0.00435   -0.01361   -0.00458
  4 Au   -0.00655   -0.01206   -0.04384
  5 Pd   -0.00531   -0.00126    0.00523
  6 Au    0.00064   -0.00414    0.00685
  7 Pd    0.00132   -0.00356   -0.00803
  8 Pd   -0.02568    0.00582    0.03693
  9 Pd   -0.01510   -0.01147    0.02045
 10 Pd    0.00969   -0.00470    0.02524
 11 Pd   -0.01337    0.00802   -0.00306
 12 Au    0.00905    0.00144   -0.00936
 13 Pd    0.00545    0.00138   -0.00672
 14 Pd    0.00658   -0.00061   -0.00641
 15 Pd   -0.00913    0.00855   -0.02549
 16 Pd   -0.01261    0.01766    0.00638
 17 Pd   -0.00004   -0.00781    0.00994
 18 Pd   -0.00260   -0.00703    0.01774
 19 Pd   -0.01085    0.00927    0.01239
 20 Au   -0.00190    0.00377    0.03261
 21 Au    0.00041    0.00502   -0.00239
 22 Pd    0.01378   -0.00456    0.00383
 23 Pd    0.00521    0.01854    0.00630
 24 Pd   -0.00392    0.00700   -0.02755
 25 Pd    0.00702   -0.00261   -0.02381
 26 Pd    0.00193   -0.01061   -0.03930
 27 Pd    0.00282    0.00207   -0.00367
 28 Au   -0.00278   -0.01562   -0.00448
 29 Pd    0.03288   -0.00983    0.02244
 30 Pd    0.01818   -0.03633    0.04399
 31 Pd    0.00188   -0.00838    0.00468
 32 Au    0.00912    0.00219   -0.01035
 33 Pd   -0.00098   -0.00587   -0.01314
 34 Pd   -0.00733   -0.01139    0.01250
 35 Pd   -0.00095   -0.00730   -0.01492
 36 Pd    0.01115    0.02319   -0.01137
 37 Pd    0.01374    0.00431   -0.00431
 38 Pd   -0.00902    0.00845   -0.01374
 39 Pd    0.00343    0.00036    0.00398
 40 Pd    0.00090    0.04528    0.02754

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.971918    0.012259    9.975822    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.011199    2.045454    9.977661    ( 0.0000,  0.0000,  0.0000)
   2 Au     2.975621    2.034339   11.988429    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.034221   -0.001554   11.967482    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.992311   -0.015474   14.033435    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.035451    2.039176   14.039640    ( 0.0000,  0.0000,  0.0000)
   6 Au     3.001769    2.032920   16.075763    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.021211   -0.009566   16.058727    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.992473   -0.030681   18.039042    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.026655    1.943727   18.049794    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.002260    3.997562    9.960271    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.020030    5.972870    9.977373    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.978990    5.985842   11.971797    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.020000    4.012012   12.008262    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.993700    4.027625   14.043286    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.024110    5.985125   14.053893    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.990804    5.994433   16.056739    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.006043    4.022357   16.084684    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.920983    4.036629   18.060925    ( 0.0000,  0.0000,  0.0000)
  19 Pd     5.002224    6.072380   18.022853    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.003034    4.018239   19.867866    ( 0.0000,  0.0000,  0.0000)
  21 Au     7.009544    0.024246    9.841386    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.966416    2.036335    9.991815    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.011557    2.017630   12.003355    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.947614   -0.000164   11.974254    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.997814   -0.004080   14.020765    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.943344    2.035968   14.023736    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.988122    2.014197   16.045531    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.954464   -0.010497   16.059178    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.994613   -0.007431   18.051268    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.946888    2.011879   18.048885    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.978786    3.993697   10.021126    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.966375    5.984521    9.854477    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.014105    6.004559   11.994665    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.958935    4.010292   11.996759    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.994226    4.014146   14.038060    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.949759    5.985550   14.022190    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.992457    6.007603   16.045226    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.968883    4.022844   16.048637    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.057799    4.014793   18.026957    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.969406    6.006446   18.035877    ( 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 12:03:37  -117.540714  -3.39
iter:   2 12:04:43  -119.390133  -2.85  -2.65
iter:   3 12:05:48  -117.472468  -3.23  -2.10
iter:   4 12:06:53  -117.427595  -4.15  -2.93
iter:   5 12:07:58  -117.426187c -4.84  -3.50
iter:   6 12:09:03  -117.425419c -5.51  -3.43
iter:   7 12:10:08  -117.424855c -5.65  -3.77
iter:   8 12:11:13  -117.424756c -5.91  -3.86
iter:   9 12:12:18  -117.425128c -6.21  -4.01c
iter:  10 12:13:24  -117.424763c -6.57  -4.04c
iter:  11 12:14:29  -117.424885c -6.60  -4.17c
iter:  12 12:15:35  -117.424708c -6.85  -4.32c
iter:  13 12:16:40  -117.424847c -7.29  -4.47c
iter:  14 12:17:46  -117.424677c -6.94  -4.43c
iter:  15 12:18:48  -117.424660c -7.49c -4.84c

Converged after 15 iterations.

Dipole moment: (-6.759420, 1.905153, 0.071191) |e|*Ang

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

Kinetic:       -201.544435
Potential:      +29.446793
External:        +0.000000
XC:             +58.646356
Entropy (-ST):   -2.167419
Local:           -2.889665
--------------------------
Free energy:   -118.508369
Extrapolated:  -117.424660

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37935    1.49061
  0   304     -0.35496    1.39267
  0   305     -0.31429    1.20847
  0   306     -0.28560    1.06801

  1   303     -0.32922    1.27865
  1   304     -0.29715    1.12521
  1   305     -0.27106    0.99542
  1   306     -0.26212    0.95079


Fermi level: -0.27197

No gap

Forces in eV/Ang:
  0 Pd   -0.00263    0.00386   -0.01961
  1 Pd   -0.00639   -0.00851    0.00964
  2 Au    0.00103    0.00846   -0.00710
  3 Au    0.01253    0.00274   -0.00329
  4 Au   -0.00567    0.00169   -0.01095
  5 Pd    0.00210    0.00089    0.00188
  6 Au   -0.00850   -0.00081   -0.00236
  7 Pd    0.00531   -0.00519    0.01051
  8 Pd   -0.01100    0.00652    0.02396
  9 Pd   -0.00424   -0.00404    0.01239
 10 Pd    0.00279    0.00120    0.01389
 11 Pd   -0.00658    0.00366   -0.01059
 12 Au   -0.00195   -0.01424   -0.00720
 13 Pd    0.00915    0.00094   -0.00470
 14 Pd    0.00263    0.00417    0.00303
 15 Pd    0.00407   -0.00745    0.00068
 16 Pd   -0.00089    0.00194    0.00548
 17 Pd   -0.00014    0.00575   -0.00730
 18 Pd   -0.00117   -0.00040    0.00180
 19 Pd   -0.00661    0.00096    0.00437
 20 Au   -0.00227    0.00197    0.01463
 21 Au    0.00024    0.00480    0.00695
 22 Pd    0.00576   -0.00270   -0.00294
 23 Pd   -0.00569    0.00894   -0.00066
 24 Pd   -0.00660    0.00587   -0.02036
 25 Pd    0.00592    0.00113   -0.01417
 26 Pd   -0.00228   -0.00692   -0.01189
 27 Pd    0.00877   -0.00486    0.00113
 28 Au   -0.00500    0.00628   -0.01443
 29 Pd    0.00831   -0.00113    0.00061
 30 Pd    0.01174   -0.01730    0.01679
 31 Pd    0.00162   -0.00493    0.00226
 32 Au    0.00428   -0.00281   -0.00033
 33 Pd    0.00075   -0.01188   -0.00506
 34 Pd   -0.00263    0.00264    0.00549
 35 Pd   -0.00227    0.00253   -0.00252
 36 Pd   -0.00127    0.00167   -0.01519
 37 Pd   -0.00386   -0.00194   -0.00832
 38 Pd    0.00042    0.00250    0.00736
 39 Pd   -0.00017   -0.00189   -0.00135
 40 Pd    0.00429    0.01394    0.01236

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    20.075    20.075   0.2% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                    111.770   111.770   1.3% ||
Hamiltonian:                                16.019     0.084   0.0% |
 Atomic:                                     2.692     1.300   0.0% |
  XC Correction:                             1.391     1.391   0.0% |
 Calculate atomic Hamiltonians:              8.823     8.823   0.1% |
 Communicate:                                0.001     0.001   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.074     0.074   0.0% |
 XC 3D grid:                                 4.344     4.344   0.1% |
LCAO initialization:                        83.801     0.432   0.0% |
 LCAO eigensolver:                           7.485     0.002   0.0% |
  Calculate projections:                     0.075     0.075   0.0% |
  DenseAtomicCorrection:                     0.058     0.058   0.0% |
  Distribute overlap matrix:                 0.007     0.007   0.0% |
  Orbital Layouts:                           0.523     0.523   0.0% |
  Potential matrix:                          6.771     6.771   0.1% |
  Sum over cells:                            0.048     0.048   0.0% |
 LCAO to grid:                              73.934    73.934   0.9% |
 Set positions (LCAO WFS):                   1.950     0.456   0.0% |
  Basic WFS set positions:                   0.003     0.003   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     1.014     1.014   0.0% |
  ST tci:                                    0.369     0.369   0.0% |
  mktci:                                     0.108     0.108   0.0% |
PWDescriptor:                                0.574     0.574   0.0% |
Redistribute:                                0.051     0.051   0.0% |
SCF-cycle:                                8383.817    21.895   0.3% |
 Davidson:                                7472.634  1526.714  17.6% |------|
  Apply H:                                 620.143   606.219   7.0% |--|
   HMM T:                                   13.923    13.923   0.2% |
  Subspace diag:                          1265.362     0.041   0.0% |
   calc_h_matrix:                          891.039   234.531   2.7% ||
    Apply H:                               656.508   640.095   7.4% |--|
     HMM T:                                 16.412    16.412   0.2% |
   diagonalize:                             18.550    18.550   0.2% |
   rotate_psi:                             355.732   355.732   4.1% |-|
  calc. matrices:                         2699.019  1464.101  16.9% |------|
   Apply H:                               1234.918  1206.808  13.9% |-----|
    HMM T:                                  28.110    28.110   0.3% |
  diagonalize:                             691.731   691.731   8.0% |--|
  rotate_psi:                              669.666   669.666   7.7% |--|
 Density:                                  537.754     0.008   0.0% |
  Atomic density matrices:                   1.834     1.834   0.0% |
  Mix:                                     203.726   203.726   2.4% ||
  Multipole moments:                         0.151     0.151   0.0% |
  Pseudo density:                          332.034   332.027   3.8% |-|
   Symmetrize density:                       0.008     0.008   0.0% |
 Hamiltonian:                              321.363     1.901   0.0% |
  Atomic:                                   50.683    23.613   0.3% |
   XC Correction:                           27.070    27.070   0.3% |
  Calculate atomic Hamiltonians:           176.832   176.832   2.0% ||
  Communicate:                               0.043     0.043   0.0% |
  Poisson:                                   1.590     1.590   0.0% |
  XC 3D grid:                               90.314    90.314   1.0% |
 Orthonormalize:                            30.171     0.003   0.0% |
  calc_s_matrix:                             5.217     5.217   0.1% |
  inverse-cholesky:                          0.398     0.398   0.0% |
  projections:                              16.217    16.217   0.2% |
  rotate_psi_s:                              8.337     8.337   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      42.553    42.553   0.5% |
-------------------------------------------------------------------
Total:                                              8658.662 100.0%

Memory usage: 1.00 GiB
Date: Mon Mar 27 12:19:05 2023
