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

User:   lacmarco@node063.cluster
Date:   Mon Mar 27 10:13:57 2023
Arch:   x86_64
Pid:    6114
Python: 3.10.4
gpaw:   /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/gpaw
_gpaw:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/
        _gpaw.cpython-310-x86_64-linux-gnu.so
ase:    /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/ase (version 3.22.1)
numpy:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/numpy (version 1.23.1)
scipy:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/scipy (version 1.9.0)
libxc:  5.2.3
units:  Angstrom and eV
cores: 16
OpenMP: True
OMP_NUM_THREADS: 1

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

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

Initialize ...

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

  Using partial waves for Au as LCAO basis

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

  Using partial waves for Pd as LCAO basis

Reference energy: -9041063.528220

Spin-paired calculation

Convergence criteria:
 Maximum [total energy] change in last 3 cyles: 0.0005 eV / electron
 Maximum integral of absolute [dens]ity change: 0.0001 electrons / valence electron
 Maximum integral of absolute [eigenst]ate change: 4e-08 eV^2 / valence electron
 Maximum number of scf [iter]ations: 333
 (Square brackets indicate name in SCF output, whereas a 'c' in
 the SCF output indicates the quantity has converged.)

Symmetries present (total): 1

  ( 1  0  0)
  ( 0  1  0)
  ( 0  0  1)

16 k-points: 4 x 4 x 1 Monkhorst-Pack grid
8 k-points in the irreducible part of the Brillouin zone
       k-points in crystal coordinates                weights
   0:     0.12500000   -0.37500000    0.00000000          2/16
   1:     0.12500000   -0.12500000    0.00000000          2/16
   2:     0.12500000    0.12500000    0.00000000          2/16
   3:     0.12500000    0.37500000    0.00000000          2/16
   4:     0.37500000   -0.37500000    0.00000000          2/16
   5:     0.37500000   -0.12500000    0.00000000          2/16
   6:     0.37500000    0.12500000    0.00000000          2/16
   7:     0.37500000    0.37500000    0.00000000          2/16

Wave functions: Plane wave expansion
  Cutoff energy: 400.000 eV
  Number of coefficients (min, max): 35093, 35158
  Pulay-stress correction: 0.000000 eV/Ang^3 (de/decut=0.000000)
  Using FFTW library
  ScaLapack parameters: grid=1x1, blocksize=None
  Wavefunction extrapolation:
    Improved wavefunction reuse through dual PAW basis 

Occupation numbers: Fermi-Dirac: width=0.1000 eV
 

Eigensolver
   Davidson(niter=2) 

Densities:
  Coarse grid: 40*40*140 grid
  Fine grid: 80*80*280 grid
  Total Charge: 0.000000 

Density mixing:
  Method: separate
  Backend: pulay
  Linear mixing parameter: 0.05
  Mixing with 5 old densities
  Damping of long wave oscillations: 50 

Hamiltonian:
  XC and Coulomb potentials evaluated on a 80*80*280 grid
  Using the RPBE Exchange-Correlation functional
  External potential:
    NoExternalPotential
 

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 181.67 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       |  
 |    |    Pd        Pd   |  
 |    |                   |  
 |   Pd     Pd Pd     Pd  |  
 |    PdPd      PdPd      |  
 |    |Pd Pd     Pd Pd    |  
 | Au |    PdPd      Pd   |  
 |   Pd     Pd Pd     Pd  |  
 |    |                   |  
 |    AuAu      AuPd      |  
 |    |Pd Pd     Pd Pd    |  
 | Pd |    AuAu      Pd   |  
 |   Pd        Pd         |  
 |    |                   |  
 |    | Au        Pd      |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    .-------------------.  
 |   /                   /   
 |  /                   /    
 | /                   /     
 |/                   /      
 *-------------------*       

Positions:
   0 Au     2.988209    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993657    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.988209    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
   3 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 Pd     2.988209    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.993657    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.988209    0.000000   18.021790    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993657    2.005447   18.021790    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.988209    4.010895   10.000000    ( 0.0000,  0.0000,  0.0000)
  11 Pd     4.993657    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.988209    6.016342   12.005447    ( 0.0000,  0.0000,  0.0000)
  13 Au     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 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 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 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 Au     0.982762    4.010895   12.005447    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.999104    4.010895   14.010895    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982762    6.016342   14.010895    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.999104    6.016342   16.016342    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.982762    4.010895   16.016342    ( 0.0000,  0.0000,  0.0000)
  39 Pd     6.999104    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982762    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:15:57  -152.742260
iter:   2 10:16:35  -144.974055  -1.26  -1.20
iter:   3 10:17:11  -156.902655  -1.44  -1.26
iter:   4 10:17:47  -136.609230  -1.53  -1.21
iter:   5 10:18:23  -125.721756  -0.69  -1.32
iter:   6 10:18:59  -122.136643  -1.62  -1.66
iter:   7 10:19:34  -120.410247  -2.22  -1.79
iter:   8 10:20:11  -119.976821  -1.91  -1.85
iter:   9 10:20:49  -118.222154  -2.59  -1.93
iter:  10 10:21:26  -118.168400  -2.69  -2.04
iter:  11 10:22:03  -117.920472c -2.89  -2.10
iter:  12 10:22:39  -117.732283  -3.01  -2.19
iter:  13 10:23:15  -117.689051c -2.97  -2.32
iter:  14 10:23:50  -117.851824c -3.31  -2.48
iter:  15 10:24:26  -117.588961c -3.44  -2.41
iter:  16 10:25:02  -117.582356c -3.75  -2.66
iter:  17 10:25:38  -117.555152c -4.22  -2.74
iter:  18 10:26:14  -117.545275c -4.09  -2.82
iter:  19 10:26:48  -117.544089c -4.43  -2.95
iter:  20 10:27:23  -117.542715c -4.59  -3.03
iter:  21 10:27:58  -117.542282c -4.95  -3.27
iter:  22 10:28:33  -117.544093c -5.50  -3.59
iter:  23 10:29:09  -117.541614c -5.78  -3.48
iter:  24 10:29:45  -117.541703c -5.79  -3.79
iter:  25 10:30:22  -117.541480c -6.45  -3.85
iter:  26 10:30:59  -117.541455c -6.53  -3.96
iter:  27 10:31:36  -117.541501c -6.62  -4.02c
iter:  28 10:32:13  -117.541458c -6.90  -4.14c
iter:  29 10:32:50  -117.541643c -7.17  -4.10c
iter:  30 10:33:27  -117.541583c -7.39  -4.19c
iter:  31 10:34:03  -117.541701c -6.97  -4.25c
iter:  32 10:34:40  -117.541651c -7.58c -4.45c

Converged after 32 iterations.

Dipole moment: (-5.158756, 0.031868, 0.080118) |e|*Ang

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

Kinetic:       -191.593505
Potential:      +21.084079
External:        +0.000000
XC:             +56.883844
Entropy (-ST):   -2.161641
Local:           -2.835249
--------------------------
Free energy:   -118.622472
Extrapolated:  -117.541651

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37398    1.53551
  0   304     -0.34060    1.40612
  0   305     -0.30827    1.26298
  0   306     -0.25975    1.02670

  1   303     -0.31923    1.31321
  1   304     -0.26746    1.06519
  1   305     -0.21897    0.82463
  1   306     -0.20950    0.77917


Fermi level: -0.25441

No gap

Forces in eV/Ang:
  0 Au   -0.17858   -0.00188   -0.51119
  1 Pd    0.14869    0.01379   -0.11693
  2 Pd   -0.12308   -0.01293    0.05386
  3 Au    0.37219    0.00485   -0.10229
  4 Au    0.00201    0.00008    0.01507
  5 Pd    0.12356    0.13725    0.29101
  6 Pd    0.08314    0.20848    0.16130
  7 Pd    0.12174    0.13022    0.22054
  8 Pd    0.00038    0.10810   -0.04239
  9 Pd   -0.00405   -0.14105   -0.05870
 10 Au   -0.00311    0.00055   -0.63943
 11 Pd    0.15058   -0.01125   -0.11334
 12 Pd   -0.12263    0.01072    0.05451
 13 Au    0.21341   -0.00550    0.02883
 14 Pd    0.02178    0.00414    0.31785
 15 Pd    0.12765   -0.16607    0.27490
 16 Pd   -0.06317   -0.20513    0.03422
 17 Pd    0.01381   -0.15583   -0.10482
 18 Pd   -0.23147   -0.11455   -0.01218
 19 Au   -0.00375    0.31228    0.39202
 20 Au    0.00095   -0.11802   -0.45917
 21 Pd    0.11838   -0.00266    0.11758
 22 Pd   -0.16086   -0.10870    0.00536
 23 Pd    0.13510   -0.13120   -0.03955
 24 Pd   -0.26897    0.00060   -0.10207
 25 Pd   -0.00712    0.00016   -0.03726
 26 Pd   -0.12834    0.15214    0.03788
 27 Pd   -0.08935    0.08528    0.03120
 28 Au   -0.15999    0.00391    0.28325
 29 Pd    0.00875    0.10184   -0.07597
 30 Pd    0.00598    0.10232   -0.11777
 31 Pd   -0.00258    0.00197    0.01237
 32 Pd   -0.16183    0.10720    0.00303
 33 Pd    0.13393    0.13047   -0.03867
 34 Au   -0.22155    0.00142    0.06470
 35 Pd   -0.01862    0.00282    0.23710
 36 Pd   -0.12766   -0.15262    0.00809
 37 Pd    0.05280   -0.07982   -0.09390
 38 Pd   -0.00420    0.00602    0.21992
 39 Pd    0.24870   -0.11799   -0.03549
 40 Pd    0.00852   -0.10241   -0.12235

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.970351   -0.000188    9.948881    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.008525    2.006827    9.988307    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.975901    2.004154   12.010833    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.030876    0.000485   11.995219    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.988410    0.000008   14.012402    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.006013    2.019173   14.039996    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.996523    2.026295   16.032472    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.005831    0.013022   16.038396    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.988247    0.010810   18.017551    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993252    1.991342   18.015920    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.987898    4.010950    9.936057    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.008714    6.015217    9.988666    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.975946    6.017414   12.010898    ( 0.0000,  0.0000,  0.0000)
  13 Au     5.014998    4.010345   12.008331    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.990387    4.011308   14.042680    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.006422    5.999736   14.038385    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.981892    5.995829   16.019764    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.995038    3.995312   16.005860    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.965063    3.999440   18.020572    ( 0.0000,  0.0000,  0.0000)
  19 Au     4.993281    6.047570   18.060991    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993751    3.999093   19.981319    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.010942   -0.000266   10.011758    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.966676    1.994577   10.000536    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.012614    1.992327   12.001493    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.955865    0.000060   11.995241    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.998392    0.000016   14.007169    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.969928    2.020662   14.014683    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.990169    2.013975   16.019462    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.966762    0.000391   16.044667    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.999979    0.010184   18.014193    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.983360    2.015679   18.010013    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.998846    4.011092   10.001237    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.966578    6.027062   10.000303    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.012497    6.029389   12.001580    ( 0.0000,  0.0000,  0.0000)
  34 Au     0.960607    4.011036   12.011917    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.997242    4.011177   14.034604    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.969996    6.001080   14.011704    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.004384    6.008360   16.006952    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.982342    4.011497   16.038334    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.023974    3.999096   18.018241    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.983613    6.006101   18.009555    ( 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 10:35:35  -127.911190  -1.57
iter:   2 10:36:10  -185.329514  -0.98  -1.73
iter:   3 10:36:47  -124.507725  -1.67  -1.31
iter:   4 10:37:23  -118.336182  -2.09  -1.92
iter:   5 10:38:04  -117.863301  -2.78  -2.34
iter:   6 10:38:56  -117.832478  -3.11  -2.54
iter:   7 10:39:46  -117.779846c -3.72  -2.59
iter:   8 10:40:36  -117.728049c -4.16  -2.68
iter:   9 10:41:25  -117.716050c -3.93  -2.91
iter:  10 10:42:15  -117.714784c -4.52  -3.10
iter:  11 10:43:01  -117.713109c -4.92  -3.16
iter:  12 10:43:53  -117.711009c -4.86  -3.24
iter:  13 10:44:34  -117.716465c -5.30  -3.43
iter:  14 10:45:11  -117.712189c -5.16  -3.30
iter:  15 10:45:47  -117.711141c -5.44  -3.45
iter:  16 10:46:24  -117.710674c -5.59  -3.69
iter:  17 10:47:01  -117.710262c -5.81  -3.85
iter:  18 10:47:37  -117.710264c -6.04  -3.96
iter:  19 10:48:13  -117.710038c -6.60  -4.07c
iter:  20 10:48:49  -117.710457c -6.66  -4.07c
iter:  21 10:49:26  -117.710214c -6.53  -4.05c
iter:  22 10:50:03  -117.710255c -6.78  -4.28c
iter:  23 10:50:39  -117.710260c -7.04  -4.41c
iter:  24 10:51:16  -117.710230c -7.06  -4.54c
iter:  25 10:51:52  -117.710305c -7.62c -4.68c

Converged after 25 iterations.

Dipole moment: (-5.928443, -1.538318, 0.087394) |e|*Ang

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

Kinetic:       -195.612958
Potential:      +24.298401
External:        +0.000000
XC:             +57.558408
Entropy (-ST):   -2.165605
Local:           -2.871354
--------------------------
Free energy:   -118.793107
Extrapolated:  -117.710305

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.38010    1.53862
  0   304     -0.34035    1.38290
  0   305     -0.31204    1.25610
  0   306     -0.26288    1.01610

  1   303     -0.32462    1.31384
  1   304     -0.27435    1.07332
  1   305     -0.22545    0.83060
  1   306     -0.21509    0.78077


Fermi level: -0.25966

No gap

Forces in eV/Ang:
  0 Au   -0.01553   -0.00092   -0.19278
  1 Pd    0.02987    0.00679   -0.03953
  2 Pd    0.01847    0.02219   -0.06477
  3 Au   -0.14665    0.00197   -0.03388
  4 Au    0.00636    0.00882    0.05717
  5 Pd    0.00935   -0.03535    0.01281
  6 Pd   -0.03443   -0.02532    0.02500
  7 Pd   -0.00207   -0.02503    0.05586
  8 Pd   -0.03438    0.06358   -0.03476
  9 Pd    0.01275   -0.06717   -0.00223
 10 Au   -0.02175   -0.00024   -0.22662
 11 Pd    0.03116   -0.00500   -0.03406
 12 Pd    0.02054   -0.02264   -0.06805
 13 Au   -0.07289   -0.00778   -0.03594
 14 Pd   -0.02540   -0.01203    0.01612
 15 Pd    0.00855    0.01582    0.08876
 16 Pd    0.03489    0.00515    0.07383
 17 Pd    0.03159    0.07002    0.22846
 18 Pd   -0.07179   -0.01776    0.03153
 19 Au    0.01286    0.11624    0.14153
 20 Au    0.00632   -0.11712   -0.32888
 21 Pd    0.06603   -0.00103   -0.09206
 22 Pd   -0.05502   -0.00207   -0.02002
 23 Pd    0.01424    0.02605    0.04306
 24 Pd    0.05756    0.00245    0.01845
 25 Pd    0.02507    0.00816    0.10320
 26 Pd   -0.01224    0.00431    0.12347
 27 Pd    0.02363    0.02034    0.03195
 28 Au    0.03222    0.03046   -0.03853
 29 Pd    0.01887    0.05929    0.03171
 30 Pd   -0.00609    0.04087   -0.00149
 31 Pd    0.01203    0.00096   -0.03734
 32 Pd   -0.05602    0.00117   -0.02242
 33 Pd    0.01167   -0.02512    0.03992
 34 Au    0.08266   -0.00431   -0.07864
 35 Pd    0.02257   -0.01362    0.08664
 36 Pd   -0.00929    0.00129    0.06406
 37 Pd   -0.05609   -0.03332    0.08082
 38 Pd   -0.02926   -0.02073    0.05489
 39 Pd    0.07387   -0.02033   -0.01947
 40 Pd   -0.00429   -0.04722   -0.01176

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.964751   -0.000337    9.915053    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.015220    2.007930    9.981118    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.975541    2.006546   12.004188    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.021070    0.000822   11.989013    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.989215    0.001067   14.019577    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.009720    2.017803   14.047623    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.994132    2.027619   16.038848    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.008130    0.012745   16.049713    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.984130    0.020701   18.012492    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.994697    1.980331   18.014423    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.985223    4.010932    9.895486    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.015604    6.014383    9.982207    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.975845    6.014922   12.003874    ( 0.0000,  0.0000,  0.0000)
  13 Au     5.010718    4.009296   12.004622    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.987795    4.009952   14.051266    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.010118    5.998159   14.054787    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.984756    5.992155   16.029339    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.999117    4.000452   16.031077    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.951605    3.994912   18.024100    ( 0.0000,  0.0000,  0.0000)
  19 Au     4.994746    6.068051   18.086176    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.994529    3.982571   19.932250    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.021341   -0.000445   10.003173    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.956707    1.992054    9.998246    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.017150    1.992707   12.005831    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.957143    0.000367   11.995318    ( 0.0000,  0.0000,  0.0000)
  25 Pd     7.001250    0.000998   14.018771    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.965774    2.024363   14.030290    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.991135    2.018200   16.023948    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.967280    0.004127   16.045972    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.002426    0.019429   18.016408    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.982754    2.022724   18.007370    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.000235    4.011248    9.997016    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.956470    6.029445    9.997676    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.016699    6.029105   12.005560    ( 0.0000,  0.0000,  0.0000)
  34 Au     0.965888    4.010549   12.003835    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.999560    4.009602   14.049961    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.966210    5.998041   14.019559    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.998759    6.002693   16.014684    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.978743    4.009135   16.049522    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.038042    3.994188   18.015163    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.983277    5.998293   18.005584    ( 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 10:52:47  -124.667220  -2.06
iter:   2 10:53:23  -171.731721  -1.11  -1.80
iter:   3 10:53:58  -123.080868  -1.77  -1.37
iter:   4 10:54:35  -118.254487  -2.26  -1.99
iter:   5 10:55:12  -117.862324  -3.00  -2.47
iter:   6 10:55:51  -117.859799  -3.50  -2.71
iter:   7 10:56:53  -117.780359c -3.95  -2.72
iter:   8 10:57:59  -117.776091c -4.33  -3.02
iter:   9 10:59:09  -117.768363c -4.47  -3.03
iter:  10 11:00:09  -117.765277c -4.69  -3.22
iter:  11 11:01:14  -117.764152c -5.27  -3.34
iter:  12 11:02:18  -117.763335c -4.96  -3.44
iter:  13 11:02:56  -117.762578c -5.70  -3.42
iter:  14 11:03:33  -117.761958c -5.89  -3.74
iter:  15 11:04:12  -117.761617c -5.81  -3.74
iter:  16 11:04:49  -117.761564c -6.33  -3.94
iter:  17 11:05:27  -117.761506c -6.29  -3.94
iter:  18 11:06:03  -117.761643c -6.52  -4.20c
iter:  19 11:06:41  -117.761419c -6.93  -4.32c
iter:  20 11:07:18  -117.761719c -6.75  -4.24c
iter:  21 11:07:54  -117.761597c -7.13  -4.35c
iter:  22 11:08:32  -117.761590c -7.56c -4.67c

Converged after 22 iterations.

Dipole moment: (-5.825162, -2.665109, 0.090524) |e|*Ang

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

Kinetic:       -198.298627
Potential:      +26.474025
External:        +0.000000
XC:             +58.012965
Entropy (-ST):   -2.162640
Local:           -2.868633
--------------------------
Free energy:   -118.842910
Extrapolated:  -117.761590

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.38423    1.53714
  0   304     -0.34598    1.38755
  0   305     -0.31465    1.24706
  0   306     -0.26753    1.01665

  1   303     -0.32788    1.30805
  1   304     -0.27979    1.07779
  1   305     -0.22995    0.83040
  1   306     -0.21985    0.78181


Fermi level: -0.26420

No gap

Forces in eV/Ang:
  0 Au    0.00110   -0.00029   -0.07930
  1 Pd    0.00773   -0.00135   -0.01101
  2 Pd    0.00922    0.00342   -0.06980
  3 Au   -0.07043   -0.01133   -0.01977
  4 Au    0.01227   -0.01071    0.00248
  5 Pd   -0.02102   -0.00451   -0.01185
  6 Pd    0.01221   -0.00959   -0.01508
  7 Pd   -0.01347   -0.03015   -0.00121
  8 Pd   -0.04524    0.02702    0.01292
  9 Pd    0.00664   -0.08340   -0.02572
 10 Au   -0.01110   -0.00001   -0.09909
 11 Pd    0.00824    0.00078   -0.00374
 12 Pd    0.02465   -0.00534   -0.06429
 13 Au   -0.06161    0.00764   -0.01288
 14 Pd    0.01264   -0.00392   -0.00927
 15 Pd   -0.02398    0.01359   -0.01852
 16 Pd    0.02972    0.02589    0.06394
 17 Pd   -0.02170    0.03979    0.15606
 18 Pd   -0.04121    0.01001    0.01468
 19 Au    0.00153    0.09714    0.06755
 20 Au    0.01365   -0.09786   -0.11574
 21 Pd   -0.00577    0.00046   -0.03136
 22 Pd   -0.00749    0.01040   -0.02314
 23 Pd   -0.03335    0.01098    0.04796
 24 Pd    0.09062    0.00627    0.03328
 25 Pd   -0.02631   -0.00705    0.01742
 26 Pd    0.03642    0.00660    0.00580
 27 Pd   -0.00600   -0.01926    0.03400
 28 Au    0.01506   -0.03564   -0.01747
 29 Pd    0.05097    0.03040    0.04674
 30 Pd   -0.00713   -0.01320    0.06024
 31 Pd   -0.00241    0.00010   -0.01348
 32 Pd   -0.00751   -0.01190   -0.02402
 33 Pd   -0.04967   -0.01376    0.05395
 34 Au    0.08130   -0.00801   -0.02465
 35 Pd   -0.01111   -0.00172   -0.02542
 36 Pd    0.03480    0.00338    0.02920
 37 Pd   -0.01944    0.03227    0.11142
 38 Pd    0.01652    0.01585   -0.03280
 39 Pd    0.03372    0.00983    0.01763
 40 Pd   -0.00773    0.02000    0.02110

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.960497   -0.000461    9.883638    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.020834    2.008275    9.975268    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.975136    2.007702   11.991458    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.011801   -0.000833   11.982280    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.991500   -0.000319   14.022565    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.009323    2.018607   14.052430    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.996526    2.029519   16.040840    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.008465    0.009650   16.056442    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.975441    0.029909   18.012304    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.996191    1.961134   18.008911    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.982496    4.010932    9.856781    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.021392    6.014071    9.977830    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.978034    6.013388   11.991922    ( 0.0000,  0.0000,  0.0000)
  13 Au     5.002405    4.010109   12.001727    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.989305    4.008928   14.057195    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.009296    5.997439   14.061175    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.989607    5.992173   16.043360    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.997144    4.006345   16.063183    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.937133    3.993383   18.027468    ( 0.0000,  0.0000,  0.0000)
  19 Au     4.995422    6.095078   18.111110    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.997012    3.959546   19.890650    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.025549   -0.000468    9.996959    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.949876    1.991334    9.993817    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.015193    1.992714   12.014466    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.968366    0.001493   11.999264    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.997824    0.000182   14.024884    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.968451    2.028856   14.036927    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.989188    2.017705   16.031393    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.967578   -0.000362   16.047670    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.011624    0.028882   18.023617    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.981485    2.024389   18.014561    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.000265    4.011344    9.993616    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.949576    6.029853    9.992959    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.011970    6.028669   12.015061    ( 0.0000,  0.0000,  0.0000)
  34 Au     0.977606    4.009111   11.998108    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.998254    4.008845   14.054337    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.968756    5.995378   14.027002    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.994516    6.004899   16.033941    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.980174    4.011014   16.051077    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.051749    3.992455   18.016492    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982037    5.997477   18.005925    ( 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 11:09:30  -122.184769  -2.20
iter:   2 11:10:08  -158.141375  -1.29  -1.90
iter:   3 11:10:46  -121.717192  -1.90  -1.43
iter:   4 11:11:25  -118.101105  -2.40  -2.04
iter:   5 11:12:02  -117.845832  -3.15  -2.58
iter:   6 11:12:39  -117.841683c -3.73  -2.84
iter:   7 11:13:18  -117.802674c -4.25  -2.86
iter:   8 11:14:11  -117.801156c -4.35  -3.11
iter:   9 11:14:58  -117.793568c -4.61  -3.10
iter:  10 11:15:39  -117.791518c -5.01  -3.34
iter:  11 11:16:22  -117.790572c -5.43  -3.47
iter:  12 11:17:07  -117.789933c -5.23  -3.61
iter:  13 11:17:48  -117.790794c -5.75  -3.60
iter:  14 11:18:34  -117.789755c -6.00  -3.80
iter:  15 11:19:19  -117.789581c -6.10  -3.78
iter:  16 11:20:04  -117.789611c -6.28  -3.92
iter:  17 11:20:49  -117.789678c -6.39  -4.10c
iter:  18 11:21:33  -117.789439c -6.39  -4.11c
iter:  19 11:22:18  -117.789255c -6.81  -4.35c
iter:  20 11:23:02  -117.789285c -7.28  -4.66c
iter:  21 11:23:47  -117.789231c -7.39  -4.72c
iter:  22 11:24:32  -117.789336c -7.61c -4.65c

Converged after 22 iterations.

Dipole moment: (-5.558841, -3.024533, 0.090203) |e|*Ang

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

Kinetic:       -201.491375
Potential:      +29.110123
External:        +0.000000
XC:             +58.536554
Entropy (-ST):   -2.157367
Local:           -2.865954
--------------------------
Free energy:   -118.868019
Extrapolated:  -117.789336

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.38907    1.53500
  0   304     -0.35352    1.39640
  0   305     -0.31807    1.23749
  0   306     -0.27233    1.01342

  1   303     -0.32754    1.28164
  1   304     -0.28641    1.08364
  1   305     -0.23469    0.82696
  1   306     -0.22530    0.78184


Fermi level: -0.26965

No gap

Forces in eV/Ang:
  0 Au    0.01058   -0.00107   -0.00701
  1 Pd   -0.00495   -0.00006   -0.00342
  2 Pd    0.02357   -0.01179   -0.05519
  3 Au   -0.02656    0.01021   -0.01454
  4 Au    0.01147   -0.00791   -0.01132
  5 Pd   -0.02971    0.01553   -0.01159
  6 Pd   -0.01247   -0.02165   -0.01839
  7 Pd   -0.01515   -0.03011   -0.03799
  8 Pd   -0.04687    0.01123    0.04138
  9 Pd   -0.00551   -0.07444   -0.01904
 10 Au    0.00290    0.00053   -0.01181
 11 Pd   -0.00534   -0.00262   -0.01162
 12 Pd    0.00618    0.00262   -0.05186
 13 Au   -0.04129   -0.00746   -0.02420
 14 Pd    0.04139    0.01639   -0.01435
 15 Pd   -0.02576   -0.01148   -0.01281
 16 Pd    0.02535    0.03256    0.02859
 17 Pd   -0.00092    0.03369    0.04840
 18 Pd   -0.02136    0.01466    0.01243
 19 Au   -0.00688    0.03722    0.04385
 20 Au    0.01021   -0.05346    0.02582
 21 Pd   -0.01989   -0.00057    0.02813
 22 Pd    0.00032    0.00915   -0.01455
 23 Pd   -0.01686    0.00235    0.01665
 24 Pd    0.02614   -0.00756    0.00472
 25 Pd   -0.00970   -0.00896   -0.00843
 26 Pd    0.02750   -0.01906   -0.01987
 27 Pd    0.01920   -0.01155   -0.01068
 28 Au    0.01069    0.01021   -0.04188
 29 Pd    0.05418    0.01348    0.06129
 30 Pd    0.00481   -0.03003    0.03830
 31 Pd   -0.00136   -0.00002    0.02591
 32 Pd    0.00006   -0.01123   -0.00176
 33 Pd    0.00315   -0.01023    0.02214
 34 Au    0.01500    0.01563   -0.00926
 35 Pd   -0.02491    0.01829   -0.00814
 36 Pd    0.02293    0.00132   -0.00704
 37 Pd   -0.01620    0.01640    0.03650
 38 Pd    0.00221    0.00470   -0.04805
 39 Pd    0.01946    0.01743    0.01712
 40 Pd    0.00168    0.03842    0.05711

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.959500   -0.000671    9.868077    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.023025    2.008546    9.971881    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.977875    2.006589   11.979544    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.005671    0.000223   11.977250    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.993855   -0.001688   14.022706    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.005906    2.021365   14.054093    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.995420    2.027890   16.040145    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.007135    0.004977   16.055077    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.965923    0.035617   18.017350    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.995979    1.943481   18.004310    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.981826    4.011006    9.837259    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.023604    6.013472    9.973785    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.979045    6.013076   11.980649    ( 0.0000,  0.0000,  0.0000)
  13 Au     4.994540    4.009124   11.997157    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.995352    4.010823   14.058989    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.006337    5.994813   14.064110    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.994644    5.995597   16.052531    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.997026    4.012787   16.081494    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.927667    3.994073   18.030536    ( 0.0000,  0.0000,  0.0000)
  19 Au     4.994796    6.111370   18.128639    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.999236    3.943237   19.875300    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.025579   -0.000587    9.998638    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.946251    1.991729    9.990285    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.013318    1.992615   12.019567    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.974302    0.000766   12.000644    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.995838   -0.001192   14.026635    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.972105    2.028387   14.037964    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.991173    2.016761   16.032568    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.968652    0.000336   16.043387    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.022147    0.034873   18.034269    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.981769    2.021819   18.021199    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.000240    4.011393    9.995895    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.945877    6.029055    9.991113    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.012133    6.027542   12.021136    ( 0.0000,  0.0000,  0.0000)
  34 Au     0.982760    4.010882   11.994483    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.994579    4.011052   14.057121    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.971771    5.993910   14.029021    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.990567    6.006842   16.044966    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.980422    4.011925   16.046858    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.060875    3.993424   18.018777    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.981928    6.001376   18.013187    ( 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 11:25:39  -118.166714  -2.69
iter:   2 11:26:24  -120.259464  -2.55  -2.43
iter:   3 11:27:08  -118.244496  -2.81  -2.05
iter:   4 11:27:53  -117.810543  -3.64  -2.43
iter:   5 11:28:37  -117.805173  -4.23  -3.21
iter:   6 11:29:22  -117.802444c -4.88  -3.23
iter:   7 11:30:07  -117.800173c -5.04  -3.39
iter:   8 11:30:52  -117.800032c -5.30  -3.57
iter:   9 11:31:36  -117.799170c -5.67  -3.67
iter:  10 11:32:20  -117.799637c -5.90  -3.71
iter:  11 11:33:05  -117.799387c -5.93  -3.90
iter:  12 11:33:49  -117.799262c -6.22  -4.02c
iter:  13 11:34:33  -117.799310c -6.68  -4.13c
iter:  14 11:35:18  -117.799181c -6.58  -4.17c
iter:  15 11:36:02  -117.799399c -6.61  -4.38c
iter:  16 11:36:46  -117.799167c -7.37  -4.29c
iter:  17 11:37:31  -117.799230c -7.54c -4.54c

Converged after 17 iterations.

Dipole moment: (-5.319339, -3.238373, 0.087233) |e|*Ang

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

Kinetic:       -203.562087
Potential:      +30.790948
External:        +0.000000
XC:             +58.920796
Entropy (-ST):   -2.152683
Local:           -2.872546
--------------------------
Free energy:   -118.875572
Extrapolated:  -117.799230

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.39424    1.53500
  0   304     -0.36075    1.40503
  0   305     -0.32329    1.23776
  0   306     -0.27673    1.00960

  1   303     -0.33039    1.27092
  1   304     -0.29292    1.09027
  1   305     -0.24003    0.82781
  1   306     -0.23012    0.78019


Fermi level: -0.27481

No gap

Forces in eV/Ang:
  0 Au    0.00431   -0.00272    0.01678
  1 Pd   -0.00140    0.00054   -0.01247
  2 Pd   -0.00769   -0.00532   -0.01572
  3 Au    0.01224   -0.00707    0.00793
  4 Au    0.00824   -0.01104   -0.03460
  5 Pd   -0.01086    0.01428   -0.00360
  6 Pd   -0.00423    0.00257    0.00189
  7 Pd    0.00620   -0.01193   -0.01041
  8 Pd   -0.02770   -0.00735    0.03994
  9 Pd   -0.00589   -0.01944   -0.00726
 10 Au    0.00023   -0.00075    0.02067
 11 Pd   -0.00092   -0.00135   -0.00710
 12 Pd    0.00033    0.01025   -0.01756
 13 Au    0.00147    0.00284   -0.01682
 14 Pd    0.01264    0.01199   -0.01548
 15 Pd   -0.00844   -0.00523   -0.03659
 16 Pd   -0.01256    0.01748    0.01491
 17 Pd    0.00104   -0.00665    0.00357
 18 Pd    0.00650    0.00598    0.00543
 19 Au   -0.00468   -0.00185    0.03665
 20 Au    0.00482   -0.02720    0.04959
 21 Pd   -0.01913   -0.00281    0.04069
 22 Pd    0.00300    0.00568    0.00178
 23 Pd    0.00027    0.00760    0.00203
 24 Pd   -0.00698   -0.00137   -0.01383
 25 Pd   -0.01186   -0.00926   -0.02945
 26 Pd    0.01661    0.00357   -0.05615
 27 Pd    0.00197   -0.00409   -0.01119
 28 Au   -0.00731   -0.01097   -0.00935
 29 Pd    0.03069   -0.00645    0.02697
 30 Pd    0.00725   -0.01005    0.01292
 31 Pd   -0.00524   -0.00076    0.02948
 32 Pd    0.00292   -0.00254   -0.00251
 33 Pd   -0.01137   -0.00063   -0.00310
 34 Au    0.00060   -0.01240    0.01919
 35 Pd   -0.01590    0.00774   -0.01768
 36 Pd    0.01753    0.00304   -0.01221
 37 Pd    0.01342    0.02097    0.00395
 38 Pd    0.00784    0.01153   -0.00984
 39 Pd   -0.00113    0.00714    0.01284
 40 Pd    0.00606    0.03585    0.03101

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     2.959917   -0.001042    9.866737    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.023276    2.008691    9.969652    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.977678    2.005865   11.975119    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.004943   -0.000393   11.977201    ( 0.0000,  0.0000,  0.0000)
   4 Au     2.995303   -0.003204   14.018867    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.003924    2.023286   14.053786    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.994392    2.027560   16.040255    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.007525    0.002448   16.053658    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.960680    0.036009   18.022940    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.995289    1.937725   18.002663    ( 0.0000,  0.0000,  0.0000)
  10 Au     2.981633    4.010928    9.835614    ( 0.0000,  0.0000,  0.0000)
  11 Pd     5.023922    6.013176    9.972087    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.979457    6.014124   11.976094    ( 0.0000,  0.0000,  0.0000)
  13 Au     4.992736    4.009222   11.994057    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.997836    4.012567   14.057263    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.004732    5.993904   14.060535    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.994284    5.998528   16.056310    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.997344    4.013674   16.086446    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.926565    3.994916   18.031931    ( 0.0000,  0.0000,  0.0000)
  19 Au     4.994186    6.114374   18.136649    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.000244    3.936534   19.877220    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.023547   -0.000952   10.003298    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.945789    1.992561    9.989761    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.013016    1.993762   12.020954    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.974974    0.000460   11.999370    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.994241   -0.002507   14.024001    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.974776    2.028583   14.032045    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.992026    2.016163   16.031512    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.968283   -0.000599   16.040983    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.027832    0.035402   18.039698    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.982673    2.020276   18.023991    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.999680    4.011315    9.999691    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.945386    6.028524    9.990386    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.010847    6.027011   12.022060    ( 0.0000,  0.0000,  0.0000)
  34 Au     0.984311    4.009721   11.995651    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.992133    4.012331   14.055835    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.974452    5.994147   14.028220    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.991105    6.009554   16.047834    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.981213    4.013328   16.045032    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.062572    3.994449   18.020644    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982622    6.006228   18.018316    ( 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 11:38:38  -118.236129  -3.24
iter:   2 11:39:23  -125.741258  -2.17  -2.35
iter:   3 11:40:08  -118.223836  -2.70  -1.81
iter:   4 11:40:52  -117.835476  -3.37  -2.48
iter:   5 11:41:39  -117.804861  -4.06  -3.04
iter:   6 11:42:24  -117.805019c -4.95  -3.48
iter:   7 11:43:10  -117.803466c -5.42  -3.60
iter:   8 11:43:55  -117.802641c -5.41  -3.77
iter:   9 11:44:41  -117.802597c -6.06  -3.95
iter:  10 11:45:25  -117.802608c -6.30  -4.01c
iter:  11 11:46:11  -117.802655c -6.33  -4.19c
iter:  12 11:46:57  -117.802598c -6.78  -4.29c
iter:  13 11:47:43  -117.802394c -6.86  -4.39c
iter:  14 11:48:30  -117.802672c -7.16  -4.67c
iter:  15 11:49:17  -117.802456c -7.18  -4.32c
iter:  16 11:50:03  -117.802453c -7.74c -4.90c

Converged after 16 iterations.

Dipole moment: (-5.222429, -2.915667, 0.086137) |e|*Ang

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

Kinetic:       -204.333185
Potential:      +31.426503
External:        +0.000000
XC:             +59.049275
Entropy (-ST):   -2.151574
Local:           -2.869260
--------------------------
Free energy:   -118.878240
Extrapolated:  -117.802453

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.39444    1.53462
  0   304     -0.36144    1.40664
  0   305     -0.32423    1.24070
  0   306     -0.27655    1.00711

  1   303     -0.33162    1.27519
  1   304     -0.29389    1.09357
  1   305     -0.24083    0.83019
  1   306     -0.22970    0.77672


Fermi level: -0.27513

No gap

Forces in eV/Ang:
  0 Au    0.00032   -0.00059    0.01233
  1 Pd   -0.00091   -0.00386   -0.01012
  2 Pd    0.00251   -0.00598   -0.01053
  3 Au    0.01264    0.00662   -0.00189
  4 Au   -0.00189    0.00200   -0.00998
  5 Pd   -0.00475    0.00802    0.00206
  6 Pd   -0.00484   -0.00238   -0.00529
  7 Pd    0.00254   -0.00797    0.00856
  8 Pd   -0.01062   -0.00646    0.02107
  9 Pd   -0.00115   -0.00364   -0.00408
 10 Au   -0.00288    0.00015    0.01658
 11 Pd   -0.00146    0.00052   -0.01186
 12 Pd   -0.00641    0.00099   -0.01531
 13 Au    0.00182   -0.00320   -0.00655
 14 Pd    0.00757    0.00906    0.00303
 15 Pd   -0.00147   -0.00973   -0.00380
 16 Pd   -0.00003    0.00356    0.00553
 17 Pd    0.00009    0.00334   -0.00505
 18 Pd    0.01084    0.00493    0.00262
 19 Au   -0.00025   -0.01028    0.01888
 20 Au    0.00191   -0.01967    0.02299
 21 Pd   -0.00786   -0.00020    0.02701
 22 Pd   -0.00031   -0.00082   -0.00048
 23 Pd   -0.00666    0.00005   -0.00194
 24 Pd   -0.01114   -0.00361   -0.01485
 25 Pd    0.00075   -0.00016   -0.01479
 26 Pd    0.00556   -0.00413   -0.01645
 27 Pd    0.00653   -0.00238   -0.01206
 28 Au   -0.00286    0.00904   -0.01410
 29 Pd    0.01073   -0.00598    0.00692
 30 Pd    0.00222    0.00241   -0.00623
 31 Pd    0.00143   -0.00012    0.01687
 32 Pd   -0.00057   -0.00246    0.00017
 33 Pd    0.00446   -0.00548   -0.00563
 34 Au   -0.00467    0.00869    0.00864
 35 Pd   -0.00398    0.00748    0.00199
 36 Pd    0.00266   -0.00098   -0.01294
 37 Pd    0.00304    0.00204   -0.00446
 38 Pd    0.00168    0.00882    0.00358
 39 Pd   -0.00131    0.00435    0.00200
 40 Pd    0.00304    0.01504    0.01679

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    15.400    15.400   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                     79.883    79.883   1.4% ||
Hamiltonian:                                11.264     0.070   0.0% |
 Atomic:                                     1.498     0.413   0.0% |
  XC Correction:                             1.085     1.085   0.0% |
 Calculate atomic Hamiltonians:              6.285     6.285   0.1% |
 Communicate:                                0.016     0.016   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.042     0.042   0.0% |
 XC 3D grid:                                 3.354     3.354   0.1% |
LCAO initialization:                        72.346     0.577   0.0% |
 LCAO eigensolver:                           8.006     0.002   0.0% |
  Calculate projections:                     0.055     0.055   0.0% |
  DenseAtomicCorrection:                     0.029     0.029   0.0% |
  Distribute overlap matrix:                 0.008     0.008   0.0% |
  Orbital Layouts:                           0.534     0.534   0.0% |
  Potential matrix:                          7.346     7.346   0.1% |
  Sum over cells:                            0.033     0.033   0.0% |
 LCAO to grid:                              61.914    61.914   1.1% |
 Set positions (LCAO WFS):                   1.848     0.304   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     1.119     1.119   0.0% |
  ST tci:                                    0.295     0.295   0.0% |
  mktci:                                     0.128     0.128   0.0% |
PWDescriptor:                                0.606     0.606   0.0% |
Redistribute:                                0.030     0.030   0.0% |
SCF-cycle:                                5568.696   381.531   6.6% |--|
 Davidson:                                4510.987   930.784  16.1% |-----|
  Apply H:                                 430.659   421.320   7.3% |--|
   HMM T:                                    9.340     9.340   0.2% |
  Subspace diag:                           753.868     0.031   0.0% |
   calc_h_matrix:                          541.723   120.260   2.1% ||
    Apply H:                               421.462   411.975   7.1% |--|
     HMM T:                                  9.487     9.487   0.2% |
   diagonalize:                             22.879    22.879   0.4% |
   rotate_psi:                             189.236   189.236   3.3% ||
  calc. matrices:                         1624.254   789.835  13.7% |----|
   Apply H:                                834.419   816.141  14.1% |-----|
    HMM T:                                  18.278    18.278   0.3% |
  diagonalize:                             374.510   374.510   6.5% |--|
  rotate_psi:                              396.913   396.913   6.9% |--|
 Density:                                  413.058     0.006   0.0% |
  Atomic density matrices:                   5.860     5.860   0.1% |
  Mix:                                     158.360   158.360   2.7% ||
  Multipole moments:                         0.109     0.109   0.0% |
  Pseudo density:                          248.723   248.717   4.3% |-|
   Symmetrize density:                       0.006     0.006   0.0% |
 Hamiltonian:                              245.675     1.381   0.0% |
  Atomic:                                   50.068    29.233   0.5% |
   XC Correction:                           20.835    20.835   0.4% |
  Calculate atomic Hamiltonians:           125.322   125.322   2.2% ||
  Communicate:                               0.413     0.413   0.0% |
  Poisson:                                   0.923     0.923   0.0% |
  XC 3D grid:                               67.570    67.570   1.2% |
 Orthonormalize:                            17.445     0.003   0.0% |
  calc_s_matrix:                             2.684     2.684   0.0% |
  inverse-cholesky:                          0.408     0.408   0.0% |
  projections:                               9.732     9.732   0.2% |
  rotate_psi_s:                              4.617     4.617   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      32.979    32.979   0.6% |
-------------------------------------------------------------------
Total:                                              5781.207 100.0%

Memory usage: 1.01 GiB
Date: Mon Mar 27 11:50:19 2023
