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

User:   lacmarco@node052.cluster
Date:   Mon Mar 27 10:23:50 2023
Arch:   x86_64
Pid:    97862
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: 183.62 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   |  
 |    |                   |  
 |   Au     Pd Pd     Pd  |  
 |    AuPd      PdAu      |  
 |    |Pd Pd     Pd Pd    |  
 | Pd |    PdPd      Pd   |  
 |   Pd     Au Pd     Pd  |  
 |    |                   |  
 |    PdPd      AuPd      |  
 |    |Au Pd     Au Pd    |  
 | Au |    PdPd      Pd   |  
 |   Pd        Pd         |  
 |    |                   |  
 |    | Pd        Pd      |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    .-------------------.  
 |   /                   /   
 |  /                   /    
 | /                   /     
 |/                   /      
 *-------------------*       

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 Pd     2.988209    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
   3 Pd     4.993657    0.000000   12.005447    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.988209    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.993657    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.988209    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.993657    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.988209    0.000000   18.021790    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993657    2.005447   18.021790    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.988209    4.010895   10.000000    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.993657    6.016342   10.000000    ( 0.0000,  0.0000,  0.0000)
  12 Au     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 Pd     4.993657    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993657    4.010895   20.027237    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.999104    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982762    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.999104    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.982762    0.000000   12.005447    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.999104    0.000000   14.010895    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982762    2.005447   14.010895    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.999104    2.005447   16.016342    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.982762    0.000000   16.016342    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.999104    0.000000   18.021790    ( 0.0000,  0.0000,  0.0000)
  30 Au     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 Au     0.982762    4.010895   16.016342    ( 0.0000,  0.0000,  0.0000)
  39 Pd     6.999104    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982762    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 10:26:31  -153.620846
iter:   2 10:27:17  -143.806299  -1.24  -1.20
iter:   3 10:28:01  -147.913172  -1.50  -1.27
iter:   4 10:28:47  -146.290257  -1.23  -1.25
iter:   5 10:29:34  -135.007619  -0.64  -1.29
iter:   6 10:30:19  -126.096018  -1.57  -1.62
iter:   7 10:31:06  -120.107283  -1.77  -1.75
iter:   8 10:31:52  -118.789889  -2.12  -1.82
iter:   9 10:32:38  -120.937762  -2.06  -1.95
iter:  10 10:33:23  -118.276857  -2.63  -1.91
iter:  11 10:34:10  -118.095265  -3.25  -2.10
iter:  12 10:34:56  -118.136412c -2.71  -2.16
iter:  13 10:35:42  -117.944629c -3.01  -2.32
iter:  14 10:36:28  -117.845227c -3.44  -2.40
iter:  15 10:37:14  -117.945636c -3.62  -2.57
iter:  16 10:38:01  -117.809818c -3.66  -2.52
iter:  17 10:38:47  -117.772051c -3.80  -2.69
iter:  18 10:39:34  -117.771767c -4.10  -2.92
iter:  19 10:40:20  -117.764300c -4.44  -3.02
iter:  20 10:41:05  -117.762602c -4.81  -3.15
iter:  21 10:41:52  -117.763019c -5.01  -3.34
iter:  22 10:42:38  -117.763411c -5.22  -3.39
iter:  23 10:43:24  -117.762485c -5.79  -3.52
iter:  24 10:44:09  -117.762457c -5.88  -3.61
iter:  25 10:44:56  -117.762303c -5.91  -3.79
iter:  26 10:45:42  -117.762341c -6.14  -3.95
iter:  27 10:46:28  -117.762132c -6.72  -3.96
iter:  28 10:47:15  -117.762067c -6.77  -4.13c
iter:  29 10:48:02  -117.761998c -6.76  -4.22c
iter:  30 10:48:42  -117.762072c -7.18  -4.31c
iter:  31 10:49:23  -117.762014c -7.26  -4.44c
iter:  32 10:50:11  -117.762074c -7.59c -4.34c

Converged after 32 iterations.

Dipole moment: (-6.021244, 0.070199, 0.043657) |e|*Ang

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

Kinetic:       -192.409425
Potential:      +20.498791
External:        +0.000000
XC:             +58.078695
Entropy (-ST):   -2.210456
Local:           -2.824908
--------------------------
Free energy:   -118.867302
Extrapolated:  -117.762074

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37381    1.42387
  0   304     -0.36308    1.37887
  0   305     -0.31228    1.14376
  0   306     -0.29995    1.08294

  1   303     -0.35184    1.32978
  1   304     -0.30648    1.11527
  1   305     -0.28208    0.99375
  1   306     -0.23414    0.75893


Fermi level: -0.28333

No gap

Forces in eV/Ang:
  0 Pd    0.12788    0.28410   -0.13754
  1 Pd   -0.00327   -0.14516    0.11637
  2 Pd    0.00052    0.00121   -0.03900
  3 Pd    0.11551    0.28448    0.07562
  4 Pd    0.12770    0.12341    0.28088
  5 Pd   -0.00077   -0.11761    0.08434
  6 Pd    0.25995   -0.15139   -0.11383
  7 Pd   -0.15452   -0.00139    0.06570
  8 Pd    0.07831   -0.09330   -0.20971
  9 Pd   -0.08860   -0.04889    0.00123
 10 Pd   -0.13043   -0.27854   -0.12889
 11 Au    0.18120    0.19684   -0.65577
 12 Au   -0.00515    0.00295    0.25314
 13 Au    0.17064   -0.40291    0.02646
 14 Pd    0.00582   -0.12065    0.19096
 15 Pd    0.12774    0.11428    0.32356
 16 Pd    0.08669    0.16727    0.03934
 17 Pd   -0.00329   -0.01595   -0.00875
 18 Pd    0.05996    0.07403    0.11726
 19 Pd   -0.07760    0.05778   -0.01576
 20 Au   -0.00089   -0.01042   -0.57148
 21 Pd   -0.12668    0.16108   -0.00390
 22 Pd    0.00527    0.13694    0.11280
 23 Pd   -0.00014    0.00149   -0.02832
 24 Au   -0.16295    0.39188    0.04840
 25 Pd   -0.13929   -0.00356    0.12621
 26 Pd   -0.00052   -0.00214   -0.05275
 27 Pd   -0.25860   -0.00444   -0.25890
 28 Pd    0.15347   -0.13441   -0.17229
 29 Au   -0.10632   -0.12531    0.31355
 30 Au    0.12235   -0.07459    0.49251
 31 Pd    0.13352   -0.15560   -0.00089
 32 Au   -0.18181   -0.18492   -0.67033
 33 Pd    0.00224   -0.00194    0.19958
 34 Pd   -0.11651   -0.28423    0.03376
 35 Pd    0.00549    0.01120    0.00168
 36 Pd   -0.12237   -0.00746    0.16170
 37 Pd   -0.09460    0.00738   -0.11158
 38 Au    0.01092    0.20799    0.01620
 39 Pd   -0.07260    0.09146    0.13315
 40 Pd    0.08224    0.04933   -0.07341

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.000997    0.028410    9.986246    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993330    1.990931   10.011637    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.988261    2.005569   12.001547    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.005207    0.028448   12.013010    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.000979    0.012341   14.038983    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.993579    1.993686   14.019329    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.014204    1.990309   16.004959    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.978205   -0.000139   16.022913    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.996040   -0.009330   18.000818    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.984797    2.000558   18.021912    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.975166    3.983041    9.987111    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.011777    6.036026    9.934423    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.987695    6.016637   12.030761    ( 0.0000,  0.0000,  0.0000)
  13 Au     5.010720    3.970604   12.008093    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.988791    3.998829   14.029991    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.006431    6.027770   14.043251    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.996878    6.033069   16.020276    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.993327    4.009300   16.015467    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.994205    4.018298   18.033516    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.985896    6.022120   18.020214    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993567    4.009852   19.970089    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.986436    0.016108    9.999610    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.983289    2.019141   10.011280    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.999090    2.005596   12.002615    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.966466    0.039188   12.010287    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.985175   -0.000356   14.023516    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.982710    2.005233   14.005620    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.973244    2.005003   15.990452    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.998108   -0.013441   15.999113    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.988472   -0.012531   18.053145    ( 0.0000,  0.0000,  0.0000)
  30 Au     0.994997    1.997988   18.071041    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.012456    3.995335    9.999911    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.964581    5.997850    9.932967    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.999328    6.016148   12.025405    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.971111    3.982472   12.008823    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.999653    4.012015   14.011063    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.970525    6.015596   14.027065    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.989644    6.017080   16.005184    ( 0.0000,  0.0000,  0.0000)
  38 Au     0.983854    4.031694   16.017962    ( 0.0000,  0.0000,  0.0000)
  39 Pd     6.991844    4.020041   18.035104    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.990985    6.021275   18.014449    ( 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 10:51:20  -125.623757  -1.53
iter:   2 10:52:05  -166.397068  -1.17  -1.80
iter:   3 10:52:50  -122.661047  -1.84  -1.39
iter:   4 10:53:37  -118.349093  -2.18  -1.95
iter:   5 10:54:22  -118.130300  -2.95  -2.40
iter:   6 10:55:09  -118.125090c -3.14  -2.51
iter:   7 10:55:56  -118.075080c -3.56  -2.52
iter:   8 10:56:41  -117.971042c -3.47  -2.57
iter:   9 10:57:27  -117.959438c -4.08  -2.92
iter:  10 10:58:14  -117.956744c -4.66  -3.06
iter:  11 10:59:01  -117.955019c -4.58  -3.14
iter:  12 10:59:45  -117.956630c -4.79  -3.29
iter:  13 11:00:30  -117.955929c -5.20  -3.28
iter:  14 11:01:15  -117.955098c -5.59  -3.40
iter:  15 11:02:01  -117.954008c -5.18  -3.46
iter:  16 11:02:48  -117.953543c -5.43  -3.66
iter:  17 11:03:34  -117.953229c -5.67  -3.76
iter:  18 11:04:20  -117.953455c -6.03  -3.82
iter:  19 11:05:05  -117.953124c -6.21  -3.85
iter:  20 11:05:51  -117.953264c -6.55  -3.86
iter:  21 11:06:36  -117.953231c -6.35  -3.99
iter:  22 11:07:23  -117.953198c -6.78  -4.10c
iter:  23 11:08:09  -117.953178c -6.76  -4.17c
iter:  24 11:08:56  -117.953096c -6.82  -4.26c
iter:  25 11:09:41  -117.953296c -7.02  -4.31c
iter:  26 11:10:28  -117.953133c -7.31  -4.22c
iter:  27 11:11:15  -117.953122c -7.29  -4.40c
iter:  28 11:11:58  -117.953142c -7.28  -4.46c
iter:  29 11:12:45  -117.953163c -7.39  -4.51c
iter:  30 11:13:32  -117.953194c -7.45c -4.56c

Converged after 30 iterations.

Dipole moment: (-6.839588, -3.971453, 0.052879) |e|*Ang

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

Kinetic:       -201.685182
Potential:      +28.553455
External:        +0.000000
XC:             +59.155707
Entropy (-ST):   -2.211654
Local:           -2.871347
--------------------------
Free energy:   -119.059021
Extrapolated:  -117.953194

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37828    1.41969
  0   304     -0.37247    1.39548
  0   305     -0.31837    1.14670
  0   306     -0.29898    1.05080

  1   303     -0.35691    1.32789
  1   304     -0.31236    1.11719
  1   305     -0.28790    0.99544
  1   306     -0.24149    0.76767


Fermi level: -0.28882

No gap

Forces in eV/Ang:
  0 Pd    0.00932    0.03103    0.02675
  1 Pd    0.00601   -0.07422   -0.02276
  2 Pd    0.01242   -0.00871    0.06579
  3 Pd   -0.01799   -0.06067    0.02092
  4 Pd    0.01351    0.00286   -0.03487
  5 Pd    0.00464   -0.02146    0.02027
  6 Pd   -0.05542    0.05252    0.08102
  7 Pd    0.07383   -0.00409    0.13559
  8 Pd    0.00937   -0.02554   -0.06625
  9 Pd   -0.02190   -0.10346   -0.04272
 10 Pd   -0.00535   -0.02755    0.02846
 11 Au    0.01343    0.01602   -0.15622
 12 Au    0.01843    0.01016   -0.11004
 13 Au   -0.05256    0.14942   -0.08662
 14 Pd    0.04269   -0.01074    0.05016
 15 Pd   -0.01240   -0.02207    0.01631
 16 Pd    0.04529   -0.02810   -0.00229
 17 Pd   -0.00861   -0.00150    0.05048
 18 Pd   -0.09575    0.01122   -0.05844
 19 Pd   -0.03154    0.09194   -0.05301
 20 Au   -0.00025   -0.01176   -0.23696
 21 Pd   -0.01842    0.05872    0.00427
 22 Pd   -0.00425    0.06179   -0.02372
 23 Pd   -0.01106   -0.01264    0.05741
 24 Au    0.04312   -0.16071   -0.08621
 25 Pd   -0.03462    0.01662    0.07595
 26 Pd   -0.00775    0.04205    0.13343
 27 Pd    0.05531   -0.03101    0.08020
 28 Pd   -0.07538    0.09201    0.05077
 29 Au    0.00793   -0.00864    0.09062
 30 Au    0.01626   -0.04054    0.09757
 31 Pd    0.01805   -0.05439   -0.00343
 32 Au   -0.01332   -0.00013   -0.17156
 33 Pd   -0.01319    0.01267   -0.04677
 34 Pd    0.01907    0.05876    0.01680
 35 Pd   -0.00256   -0.01901    0.02765
 36 Pd    0.00183    0.04284   -0.05529
 37 Pd   -0.04892    0.04784    0.07750
 38 Au    0.00986   -0.14347    0.17738
 39 Pd    0.09436    0.00985   -0.05799
 40 Pd    0.02406    0.06257   -0.03957

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.003734    0.035567    9.987137    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993911    1.981188   10.010869    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.989564    2.004677   12.007870    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.004925    0.026047   12.016235    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.004151    0.014343   14.039223    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.994053    1.989825   14.022607    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.012012    1.993696   16.011837    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.983772   -0.000585   16.037959    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.998098   -0.013282   17.991015    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.981290    1.989093   18.017474    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.972809    3.976323    9.988301    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.015678    6.040413    9.909081    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.989546    6.017738   12.022779    ( 0.0000,  0.0000,  0.0000)
  13 Au     5.007594    3.980627   11.999425    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.993324    3.996044   14.037858    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.006900    6.027045   14.049417    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.002798    6.032447   16.020580    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.992384    4.008924   16.020610    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.985047    4.020490   18.029039    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.981536    6.032506   18.014468    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993529    4.008483   19.937490    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.982768    0.024455   10.000002    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982919    2.027474   10.010363    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.997935    2.004298   12.008212    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.968714    0.027837   12.001964    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.979643    0.001328   14.033178    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.981895    2.009589   14.018807    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.975443    2.001708   15.995243    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.992365   -0.005700   16.002030    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.987831   -0.015162   18.066923    ( 0.0000,  0.0000,  0.0000)
  30 Au     0.998381    1.992731   18.088014    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.016181    3.987515    9.999541    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.960683    5.995284    9.905824    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.997982    6.017443   12.023282    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.971492    3.984677   12.011041    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.999462    4.010187   14.013969    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.969026    6.019961   14.023530    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.983236    6.022171   16.011726    ( 0.0000,  0.0000,  0.0000)
  38 Au     0.985033    4.019602   16.036684    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.000683    4.022330   18.030894    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.994630    6.028480   18.009309    ( 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 11:14:40  -120.463347  -2.43
iter:   2 11:15:15  -145.373584  -1.49  -2.00
iter:   3 11:16:01  -120.655882  -2.13  -1.52
iter:   4 11:16:53  -118.197639  -2.58  -2.12
iter:   5 11:17:43  -118.024643  -3.33  -2.66
iter:   6 11:18:32  -118.007832c -3.97  -2.97
iter:   7 11:19:22  -117.999753c -4.53  -3.10
iter:   8 11:20:12  -117.994926c -4.56  -3.21
iter:   9 11:21:02  -117.994197c -4.98  -3.34
iter:  10 11:21:52  -117.993161c -5.36  -3.45
iter:  11 11:22:42  -117.992393c -5.62  -3.57
iter:  12 11:23:31  -117.993387c -5.63  -3.76
iter:  13 11:24:20  -117.992591c -5.69  -3.72
iter:  14 11:25:09  -117.992224c -6.22  -3.72
iter:  15 11:25:58  -117.992098c -6.26  -3.97
iter:  16 11:26:47  -117.992113c -6.74  -4.24c
iter:  17 11:27:36  -117.992085c -6.83  -4.33c
iter:  18 11:28:25  -117.992117c -7.19  -4.58c
iter:  19 11:29:14  -117.992083c -7.55c -4.68c

Converged after 19 iterations.

Dipole moment: (-6.878074, -4.261979, 0.055289) |e|*Ang

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

Kinetic:       -202.956081
Potential:      +29.532735
External:        +0.000000
XC:             +59.378306
Entropy (-ST):   -2.209882
Local:           -2.842102
--------------------------
Free energy:   -119.097024
Extrapolated:  -117.992083

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37969    1.41285
  0   304     -0.37282    1.38392
  0   305     -0.32079    1.14352
  0   306     -0.30107    1.04589

  1   303     -0.36014    1.32861
  1   304     -0.31611    1.12055
  1   305     -0.28852    0.98318
  1   306     -0.24553    0.77230


Fermi level: -0.29188

No gap

Forces in eV/Ang:
  0 Pd   -0.00654    0.00866    0.00525
  1 Pd    0.00214   -0.01839   -0.00843
  2 Pd   -0.01150    0.00031    0.05613
  3 Pd   -0.00589   -0.07524    0.00129
  4 Pd   -0.01326   -0.00947   -0.00231
  5 Pd    0.00353    0.02526    0.01270
  6 Pd   -0.02604    0.00221    0.04732
  7 Pd    0.03142    0.02212    0.01973
  8 Pd   -0.02368   -0.01251   -0.01236
  9 Pd   -0.00534   -0.05748   -0.02193
 10 Pd    0.00612   -0.00576    0.01243
 11 Au    0.00671    0.00412   -0.08785
 12 Au    0.01148   -0.00985   -0.10300
 13 Au   -0.01927    0.08305   -0.05380
 14 Pd    0.00853    0.02679    0.01002
 15 Pd   -0.01381   -0.02041   -0.01778
 16 Pd   -0.03565   -0.01934   -0.04905
 17 Pd    0.02125   -0.02239    0.05050
 18 Pd   -0.05658    0.01272   -0.02305
 19 Pd   -0.01818    0.03730   -0.00655
 20 Au   -0.00019   -0.00817   -0.13420
 21 Pd    0.00821    0.03228   -0.00059
 22 Pd   -0.00038    0.01044    0.00270
 23 Pd    0.00950   -0.00935    0.05946
 24 Au    0.00781   -0.05204   -0.03627
 25 Pd    0.01590    0.00174    0.00281
 26 Pd   -0.00097   -0.01917    0.01501
 27 Pd    0.02583   -0.01051    0.09996
 28 Pd   -0.03775    0.03980    0.03141
 29 Au    0.03873    0.01034    0.09413
 30 Au   -0.00168   -0.06271    0.09848
 31 Pd   -0.00834   -0.02877   -0.00083
 32 Au   -0.00423    0.00458   -0.09635
 33 Pd   -0.01420    0.00649   -0.06908
 34 Pd    0.02106    0.06278    0.01777
 35 Pd   -0.00379    0.00955    0.03382
 36 Pd    0.00870   -0.01505    0.03340
 37 Pd    0.03453   -0.00518    0.03687
 38 Au   -0.02010   -0.00591    0.02023
 39 Pd    0.05970    0.00380   -0.04095
 40 Pd    0.01557    0.05961   -0.02336

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.005141    0.043321    9.987008    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.994517    1.972025   10.010260    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.988088    2.004350   12.020308    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.004976    0.014542   12.018702    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.004545    0.014850   14.041908    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.994887    1.991380   14.027234    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.009148    1.993983   16.022148    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.990220    0.003162   16.048870    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.995606   -0.018269   17.982217    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.977834    1.973194   18.011592    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.971469    3.969342    9.989680    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.020542    6.045195    9.875121    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.992368    6.016495   12.003493    ( 0.0000,  0.0000,  0.0000)
  13 Au     5.004576    3.995650   11.986229    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.996925    3.998319   14.045178    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.005997    6.024287   14.052418    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.999966    6.030491   16.012353    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.995734    4.004579   16.031840    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.971492    4.024529   18.024176    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.975519    6.044408   18.010578    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.993469    4.006301   19.892909    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.981259    0.035655   10.000029    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982742    2.034500   10.011642    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.999121    2.002063   12.021039    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.969375    0.017658   11.992293    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.978551    0.002349   14.039313    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.981355    2.008067   14.026785    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.978288    1.998317   16.012506    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.984693    0.003429   16.007111    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.993348   -0.015814   18.093230    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.000885    1.978377   18.118425    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.017763    3.977236    9.999219    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.956259    5.992995    9.869387    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.994867    6.019159   12.012100    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.974189    3.993866   12.015565    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.998757    4.011205   14.021332    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.968615    6.019125   14.029664    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.985566    6.023581   16.020042    ( 0.0000,  0.0000,  0.0000)
  38 Au     0.982075    4.015394   16.048786    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.014519    4.025001   18.023114    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.999911    6.042876   18.002064    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 11:30:29  -121.997570  -2.23
iter:   2 11:31:18  -155.447817  -1.31  -1.91
iter:   3 11:32:08  -121.750257  -1.95  -1.45
iter:   4 11:32:57  -118.385409  -2.43  -2.05
iter:   5 11:33:47  -118.083165  -3.15  -2.56
iter:   6 11:34:36  -118.065819  -3.78  -2.86
iter:   7 11:35:25  -118.031213c -4.22  -2.90
iter:   8 11:36:14  -118.024219c -4.35  -3.12
iter:   9 11:37:03  -118.021701c -4.75  -3.19
iter:  10 11:37:53  -118.019968c -4.99  -3.32
iter:  11 11:38:41  -118.019397c -5.50  -3.45
iter:  12 11:39:31  -118.019880c -5.05  -3.55
iter:  13 11:40:20  -118.018488c -5.80  -3.45
iter:  14 11:41:09  -118.018349c -6.10  -3.84
iter:  15 11:41:59  -118.018165c -6.04  -3.81
iter:  16 11:42:49  -118.018182c -6.45  -4.02c
iter:  17 11:43:38  -118.018134c -6.55  -4.15c
iter:  18 11:44:28  -118.018137c -6.87  -4.35c
iter:  19 11:45:17  -118.018103c -7.09  -4.46c
iter:  20 11:46:07  -118.018114c -7.28  -4.55c
iter:  21 11:46:59  -118.018066c -7.34  -4.64c
iter:  22 11:47:50  -118.018121c -7.74c -4.68c

Converged after 22 iterations.

Dipole moment: (-6.743120, -4.541960, 0.055210) |e|*Ang

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

Kinetic:       -204.948396
Potential:      +31.151710
External:        +0.000000
XC:             +59.721207
Entropy (-ST):   -2.206420
Local:           -2.839432
--------------------------
Free energy:   -119.121331
Extrapolated:  -118.018121

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.38172    1.40558
  0   304     -0.37254    1.36653
  0   305     -0.32551    1.14818
  0   306     -0.30457    1.04454

  1   303     -0.36447    1.33113
  1   304     -0.32087    1.12540
  1   305     -0.28904    0.96696
  1   306     -0.24977    0.77453


Fermi level: -0.29565

No gap

Forces in eV/Ang:
  0 Pd   -0.01439   -0.00792   -0.00152
  1 Pd   -0.00215    0.02580    0.04692
  2 Pd    0.00923    0.00704    0.02056
  3 Pd   -0.00703   -0.01914   -0.00614
  4 Pd   -0.02119   -0.03020   -0.01158
  5 Pd    0.00827    0.03609   -0.00182
  6 Pd   -0.04018    0.00419   -0.00136
  7 Pd    0.01890   -0.01914   -0.06011
  8 Pd   -0.02759   -0.00608    0.02793
  9 Pd    0.00622   -0.02430    0.01496
 10 Pd    0.00274    0.00409   -0.00899
 11 Au    0.00442    0.00186   -0.02646
 12 Au   -0.03403    0.01316   -0.02830
 13 Au    0.02433   -0.02836    0.01462
 14 Pd   -0.00559    0.01815   -0.01997
 15 Pd    0.00370   -0.00685   -0.00988
 16 Pd   -0.01447    0.00479   -0.02785
 17 Pd    0.00627    0.00279    0.02443
 18 Pd   -0.04887   -0.00184   -0.02366
 19 Pd    0.00652    0.02124   -0.02269
 20 Au    0.00598   -0.01276    0.00746
 21 Pd    0.02083    0.00291   -0.00365
 22 Pd    0.00176   -0.01683    0.04107
 23 Pd   -0.01095    0.02572    0.02801
 24 Au    0.00612   -0.02219    0.01952
 25 Pd    0.02669   -0.02167   -0.02463
 26 Pd   -0.00241   -0.00932   -0.01940
 27 Pd    0.03280   -0.00663    0.04822
 28 Pd   -0.01513    0.01435    0.00738
 29 Au    0.01158   -0.00617    0.06296
 30 Au    0.00201   -0.00656    0.05296
 31 Pd   -0.00919   -0.00432    0.01129
 32 Au   -0.00275    0.00358   -0.00239
 33 Pd    0.02244   -0.00851   -0.03851
 34 Pd   -0.00704    0.03990    0.00699
 35 Pd   -0.01487    0.00805   -0.00324
 36 Pd    0.00760    0.00632   -0.01583
 37 Pd    0.00999    0.02683    0.01097
 38 Au    0.00294   -0.02839   -0.05140
 39 Pd    0.04250   -0.00516    0.00168
 40 Pd    0.00299    0.02520    0.01224

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.004073    0.044924    9.986780    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.994437    1.972154   10.015877    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.989064    2.005047   12.025958    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.004194    0.009888   12.018862    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.002494    0.011588   14.041290    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.996114    1.995570   14.028365    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.003650    1.994798   16.024698    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.994294    0.001522   16.045419    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.992036   -0.020518   17.982620    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.977444    1.965760   18.011758    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.971169    3.967479    9.988881    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.022631    6.047021    9.861793    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.988977    6.017976   11.995532    ( 0.0000,  0.0000,  0.0000)
  13 Au     5.006742    3.995948   11.984452    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.997465    4.000579   14.045224    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.006427    6.022917   14.052759    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.998361    6.030757   16.007382    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.997060    4.003999   16.037615    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.961870    4.025412   18.019925    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.974572    6.050562   18.006389    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.994181    4.004150   19.880875    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.982992    0.039294    9.999628    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.982885    2.034878   10.016901    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.997894    2.004615   12.027603    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.970365    0.012000   11.991873    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.980865    0.000089   14.038699    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.980863    2.007104   14.027415    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.982883    1.996466   16.022138    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.980814    0.007738   16.009202    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.995701   -0.017091   18.107930    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.002104    1.974077   18.133223    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.017478    3.973670   10.000491    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.954462    5.992539    9.858291    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.996838    6.018603   12.005107    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.973812    4.000570   12.017591    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.996785    4.012198   14.022724    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.969193    6.020204   14.028699    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.986464    6.027703   16.023664    ( 0.0000,  0.0000,  0.0000)
  38 Au     0.981983    4.009933   16.046999    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.023373    4.025231   18.021417    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.001798    6.049652   18.001487    ( 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 11:49:08  -118.062414  -3.08
iter:   2 11:49:59  -118.216061  -3.60  -2.96
iter:   3 11:50:49  -118.059198c -3.88  -2.56
iter:   4 11:51:40  -118.027770c -4.68  -2.95
iter:   5 11:52:31  -118.026214c -5.10  -3.42
iter:   6 11:53:23  -118.024608c -4.88  -3.52
iter:   7 11:54:15  -118.024712c -5.57  -3.70
iter:   8 11:55:07  -118.024634c -5.91  -3.78
iter:   9 11:55:58  -118.025039c -5.87  -3.94
iter:  10 11:56:48  -118.024704c -6.12  -3.97
iter:  11 11:57:39  -118.024591c -6.45  -3.84
iter:  12 11:58:30  -118.024580c -6.88  -4.26c
iter:  13 11:59:21  -118.024491c -6.69  -4.35c
iter:  14 12:00:12  -118.024521c -6.91  -4.51c
iter:  15 12:01:03  -118.024498c -7.46c -4.70c

Converged after 15 iterations.

Dipole moment: (-6.591423, -4.014155, 0.055513) |e|*Ang

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

Kinetic:       -205.931918
Potential:      +31.965924
External:        +0.000000
XC:             +59.876452
Entropy (-ST):   -2.204207
Local:           -2.832852
--------------------------
Free energy:   -119.126602
Extrapolated:  -118.024498

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.38381    1.40465
  0   304     -0.37360    1.36110
  0   305     -0.32920    1.15489
  0   306     -0.30730    1.04659

  1   303     -0.36688    1.33153
  1   304     -0.32314    1.12519
  1   305     -0.29070    0.96365
  1   306     -0.25175    0.77291


Fermi level: -0.29797

No gap

Forces in eV/Ang:
  0 Pd   -0.00802   -0.00378   -0.01283
  1 Pd   -0.00297    0.01721    0.02700
  2 Pd   -0.00384    0.00200    0.00266
  3 Pd    0.00205   -0.00310   -0.00534
  4 Pd   -0.00251   -0.00344   -0.00098
  5 Pd    0.00143   -0.00130    0.01954
  6 Pd    0.00391   -0.02311   -0.01591
  7 Pd   -0.00977    0.01161   -0.04080
  8 Pd   -0.00368   -0.00238    0.01303
  9 Pd   -0.00443   -0.00903    0.00233
 10 Pd    0.00500    0.00879   -0.00924
 11 Au   -0.00152   -0.00457    0.00548
 12 Au    0.01294   -0.01570   -0.01326
 13 Au   -0.00746    0.01214    0.01623
 14 Pd   -0.00042    0.01493   -0.02631
 15 Pd    0.00504   -0.01053   -0.02652
 16 Pd   -0.01642    0.01040   -0.00100
 17 Pd    0.00206   -0.00100    0.01345
 18 Pd   -0.00042    0.00548    0.00136
 19 Pd   -0.00075   -0.01316   -0.00597
 20 Au   -0.00119   -0.00189    0.00608
 21 Pd    0.01403    0.00404   -0.00351
 22 Pd    0.00164   -0.01671    0.03961
 23 Pd    0.01401   -0.00810    0.00482
 24 Au   -0.01085    0.02674    0.01244
 25 Pd    0.01050   -0.00456   -0.02986
 26 Pd   -0.00522   -0.00754   -0.04063
 27 Pd    0.00141   -0.01108    0.00794
 28 Pd    0.00383   -0.00479    0.00252
 29 Au   -0.00416   -0.00532    0.03396
 30 Au    0.00281    0.00570    0.03050
 31 Pd   -0.00372    0.00188   -0.00712
 32 Au   -0.00091   -0.00059    0.00608
 33 Pd   -0.00019   -0.00800   -0.01974
 34 Pd   -0.00437    0.00295   -0.00483
 35 Pd    0.00054    0.01710    0.00977
 36 Pd   -0.00825   -0.00613    0.00561
 37 Pd    0.02471    0.00186   -0.00435
 38 Au   -0.01172    0.01880   -0.04805
 39 Pd    0.01474    0.00497    0.01608
 40 Pd    0.00139   -0.00937    0.00254

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     3.002857    0.044914    9.985429    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.994091    1.973890   10.020468    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.989046    2.005404   12.027964    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.004055    0.008125   12.018374    ( 0.0000,  0.0000,  0.0000)
   4 Pd     3.001764    0.010307   14.040563    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.996631    1.996259   14.031062    ( 0.0000,  0.0000,  0.0000)
   6 Pd     3.002215    1.992723   16.023851    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.994682    0.002297   16.040469    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.990825   -0.021474   17.983983    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.976716    1.962256   18.011891    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.971686    3.968029    9.987768    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.022961    6.046939    9.858618    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.989703    6.016624   11.991459    ( 0.0000,  0.0000,  0.0000)
  13 Au     5.006024    3.998377   11.985601    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.997844    4.002794   14.042267    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.007072    6.021166   14.049696    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.996509    6.031895   16.006229    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.997446    4.003879   16.040860    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.958811    4.026269   18.018559    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.974145    6.051074   18.004159    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.994228    4.003310   19.877742    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.985028    0.040915    9.999136    ( 0.0000,  0.0000,  0.0000)
  22 Pd     0.983086    2.033300   10.022839    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.999104    2.004283   12.030019    ( 0.0000,  0.0000,  0.0000)
  24 Au     0.969713    0.012534   11.992793    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.982451   -0.000947   14.035437    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.980041    2.006413   14.023674    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.984719    1.994448   16.025798    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.979792    0.008869   16.010368    ( 0.0000,  0.0000,  0.0000)
  29 Au     6.995684   -0.018148   18.115885    ( 0.0000,  0.0000,  0.0000)
  30 Au     1.002842    1.973772   18.140702    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.017075    3.972794    9.999948    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.953901    5.992424    9.855736    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.997339    6.017542   12.000817    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.973258    4.002941   12.017541    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.996322    4.014309   14.024267    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.968376    6.020214   14.028329    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.989114    6.029464   16.024552    ( 0.0000,  0.0000,  0.0000)
  38 Au     0.980755    4.009483   16.041987    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.027937    4.025894   18.022645    ( 0.0000,  0.0000,  0.0000)
  40 Pd     1.002510    6.050397   18.001529    ( 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 12:02:22  -118.073692  -3.57
iter:   2 12:03:13  -119.041771  -3.19  -2.83
iter:   3 12:04:05  -118.030803  -3.56  -2.22
iter:   4 12:04:56  -118.027338  -4.56  -3.45
iter:   5 12:05:47  -118.027038c -5.48  -3.58
iter:   6 12:06:38  -118.026742c -5.57  -3.72
iter:   7 12:07:29  -118.026714c -5.90  -3.91
iter:   8 12:08:21  -118.026986c -6.24  -4.02c
iter:   9 12:09:12  -118.026766c -6.61  -4.08c
iter:  10 12:10:04  -118.026773c -6.67  -4.23c
iter:  11 12:10:55  -118.026754c -6.71  -4.35c
iter:  12 12:11:47  -118.026703c -7.21  -4.45c
iter:  13 12:12:40  -118.026711c -7.29  -4.60c
iter:  14 12:13:32  -118.026663c -7.36  -4.74c
iter:  15 12:14:24  -118.026705c -7.91c -4.79c

Converged after 15 iterations.

Dipole moment: (-6.518846, -3.922039, 0.053731) |e|*Ang

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

Kinetic:       -206.338642
Potential:      +32.306073
External:        +0.000000
XC:             +59.946281
Entropy (-ST):   -2.203581
Local:           -2.838627
--------------------------
Free energy:   -119.128496
Extrapolated:  -118.026705

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.38518    1.40671
  0   304     -0.37422    1.36001
  0   305     -0.33090    1.15891
  0   306     -0.30881    1.04977

  1   303     -0.36773    1.33144
  1   304     -0.32362    1.12324
  1   305     -0.29207    0.96613
  1   306     -0.25218    0.77082


Fermi level: -0.29884

No gap

Forces in eV/Ang:
  0 Pd   -0.00312   -0.00155   -0.00360
  1 Pd   -0.00182    0.00806    0.02221
  2 Pd    0.00315    0.00206   -0.00163
  3 Pd    0.00360    0.00266   -0.00503
  4 Pd   -0.00055   -0.00572   -0.00841
  5 Pd    0.00493    0.00125    0.00530
  6 Pd   -0.00386   -0.00223   -0.00863
  7 Pd    0.00153   -0.00437   -0.00491
  8 Pd    0.00428    0.00343    0.00599
  9 Pd   -0.00245   -0.00653   -0.00199
 10 Pd   -0.00046    0.00142   -0.00646
 11 Au    0.00216    0.00136    0.00997
 12 Au   -0.00177    0.00711   -0.00317
 13 Au    0.00860   -0.00925    0.00951
 14 Pd   -0.00368    0.00081    0.00102
 15 Pd    0.00656    0.00418   -0.00053
 16 Pd   -0.00422    0.00340   -0.00390
 17 Pd    0.00145   -0.00234    0.00207
 18 Pd   -0.00188   -0.00434   -0.00425
 19 Pd    0.00451   -0.00371   -0.00821
 20 Au   -0.00239   -0.00159    0.00019
 21 Pd    0.00201    0.00010    0.00033
 22 Pd    0.00432   -0.00197    0.02469
 23 Pd   -0.00963    0.00751    0.00035
 24 Au    0.00535   -0.00084    0.00402
 25 Pd   -0.00287   -0.00458   -0.00963
 26 Pd   -0.00061    0.00296   -0.01143
 27 Pd    0.00096   -0.00764    0.00346
 28 Pd   -0.00086    0.00126    0.00597
 29 Au   -0.00856   -0.00248    0.01310
 30 Au    0.00129    0.00956    0.00959
 31 Pd   -0.00241   -0.00067   -0.00373
 32 Au    0.00071    0.00130    0.00906
 33 Pd   -0.00193    0.00164   -0.01103
 34 Pd   -0.00233   -0.00404   -0.00749
 35 Pd   -0.00498    0.00132    0.00320
 36 Pd   -0.00025    0.00387   -0.00584
 37 Pd    0.00214    0.00836   -0.00061
 38 Au    0.00354    0.00362   -0.01177
 39 Pd    0.01006    0.00030    0.01052
 40 Pd   -0.00421   -0.01383    0.00091

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    20.674    20.674   0.3% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                    103.611   103.611   1.6% ||
Hamiltonian:                                16.401     0.100   0.0% |
 Atomic:                                     4.481     3.619   0.1% |
  XC Correction:                             0.862     0.862   0.0% |
 Calculate atomic Hamiltonians:              8.041     8.041   0.1% |
 Communicate:                                0.019     0.019   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.064     0.064   0.0% |
 XC 3D grid:                                 3.695     3.695   0.1% |
LCAO initialization:                        72.741     0.397   0.0% |
 LCAO eigensolver:                           6.313     0.003   0.0% |
  Calculate projections:                     0.070     0.070   0.0% |
  DenseAtomicCorrection:                     0.034     0.034   0.0% |
  Distribute overlap matrix:                 0.015     0.015   0.0% |
  Orbital Layouts:                           0.404     0.404   0.0% |
  Potential matrix:                          5.739     5.739   0.1% |
  Sum over cells:                            0.046     0.046   0.0% |
 LCAO to grid:                              64.650    64.650   1.0% |
 Set positions (LCAO WFS):                   1.382     0.314   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.760     0.760   0.0% |
  ST tci:                                    0.240     0.240   0.0% |
  mktci:                                     0.065     0.065   0.0% |
PWDescriptor:                                0.698     0.698   0.0% |
Redistribute:                                0.044     0.044   0.0% |
SCF-cycle:                                6401.705    67.151   1.0% |
 Davidson:                                5517.882  1096.990  16.5% |------|
  Apply H:                                 568.194   556.479   8.4% |--|
   HMM T:                                   11.716    11.716   0.2% |
  Subspace diag:                           930.177     0.040   0.0% |
   calc_h_matrix:                          694.236   136.755   2.1% ||
    Apply H:                               557.481   544.912   8.2% |--|
     HMM T:                                 12.569    12.569   0.2% |
   diagonalize:                             22.357    22.357   0.3% |
   rotate_psi:                             213.545   213.545   3.2% ||
  calc. matrices:                         1982.502   873.766  13.1% |----|
   Apply H:                               1108.737  1084.978  16.3% |------|
    HMM T:                                  23.759    23.759   0.4% |
  diagonalize:                             548.709   548.709   8.3% |--|
  rotate_psi:                              391.309   391.309   5.9% |-|
 Density:                                  509.993     0.008   0.0% |
  Atomic density matrices:                   1.683     1.683   0.0% |
  Mix:                                     213.311   213.311   3.2% ||
  Multipole moments:                         0.104     0.104   0.0% |
  Pseudo density:                          294.887   294.880   4.4% |-|
   Symmetrize density:                       0.007     0.007   0.0% |
 Hamiltonian:                              286.656     1.770   0.0% |
  Atomic:                                   41.109    22.935   0.3% |
   XC Correction:                           18.174    18.174   0.3% |
  Calculate atomic Hamiltonians:           166.276   166.276   2.5% ||
  Communicate:                               0.218     0.218   0.0% |
  Poisson:                                   1.294     1.294   0.0% |
  XC 3D grid:                               75.990    75.990   1.1% |
 Orthonormalize:                            20.023     0.003   0.0% |
  calc_s_matrix:                             3.044     3.044   0.0% |
  inverse-cholesky:                          0.365     0.365   0.0% |
  projections:                              11.738    11.738   0.2% |
  rotate_psi_s:                              4.874     4.874   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      34.695    34.695   0.5% |
-------------------------------------------------------------------
Total:                                              6650.571 100.0%

Memory usage: 1.02 GiB
Date: Mon Mar 27 12:14:41 2023
