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

User:   lacmarco@node033.cluster
Date:   Mon Mar 27 10:31:24 2023
Arch:   x86_64
Pid:    74773
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: 183.23 MiB
  Calculator: 504.68 MiB
    Density: 54.04 MiB
      Arrays: 22.22 MiB
      Localized functions: 23.28 MiB
      Mixer: 8.54 MiB
    Hamiltonian: 15.09 MiB
      Arrays: 14.53 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.57 MiB
    Wavefunctions: 435.54 MiB
      Arrays psit_nG: 199.03 MiB
      Eigensolver: 222.73 MiB
      Projections: 2.09 MiB
      Projectors: 2.82 MiB
      PW-descriptor: 8.88 MiB

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

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

... initialized

Initializing position-dependent things.

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

      .-------------------.  
     /|                   |  
    / |                   |  
   /  |                   |  
  /   |                   |  
 *    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |                   |  
 |    |         Au        |  
 |    |Pd        Pd       |  
 |    |    Au        Pd   |  
 |    |                   |  
 |   Pd     Pd Pd     Pd  |  
 |    PdPd      PdPd      |  
 |    |Au Pd     Pd Pd    |  
 | Au |    AuPd      Pd   |  
 |   Pd     Pd Pd     Pd  |  
 |    |                   |  
 |    PdAu      PdPd      |  
 |    |Pd Pd     Au Pd    |  
 | Pd |    PdAu      Pd   |  
 |   Au        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 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 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 Pd     2.988209    6.016342   12.005447    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.993657    4.010895   12.005447    ( 0.0000,  0.0000,  0.0000)
  14 Au     2.988209    4.010895   14.010895    ( 0.0000,  0.0000,  0.0000)
  15 Pd     4.993657    6.016342   14.010895    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.988209    6.016342   16.016342    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.993657    4.010895   16.016342    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.988209    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  19 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 Au     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 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 Au     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 10:33:51  -152.469603
iter:   2 10:34:43  -141.997610  -1.28  -1.20
iter:   3 10:35:34  -140.178136  -1.50  -1.27
iter:   4 10:36:24  -179.778641  -0.84  -1.30
iter:   5 10:37:17  -140.377996  -0.65  -1.22
iter:   6 10:38:10  -124.579914  -1.67  -1.67
iter:   7 10:39:00  -119.614730  -1.69  -1.78
iter:   8 10:39:53  -121.030414  -2.22  -1.82
iter:   9 10:40:45  -118.417276  -2.19  -1.90
iter:  10 10:41:34  -117.914305  -2.72  -2.06
iter:  11 10:42:25  -117.771262  -2.80  -2.15
iter:  12 10:43:18  -117.567903  -2.99  -2.27
iter:  13 10:44:11  -117.577347c -2.93  -2.39
iter:  14 10:45:01  -117.529862c -3.52  -2.51
iter:  15 10:45:50  -117.493035c -3.78  -2.52
iter:  16 10:46:35  -117.453007c -3.96  -2.64
iter:  17 10:47:24  -117.448177c -3.88  -2.77
iter:  18 10:48:15  -117.442575c -4.18  -2.92
iter:  19 10:49:06  -117.441757c -4.89  -3.04
iter:  20 10:50:00  -117.448802c -4.95  -3.07
iter:  21 10:50:50  -117.440365c -4.54  -3.04
iter:  22 10:51:43  -117.441958c -4.95  -3.25
iter:  23 10:52:33  -117.439901c -5.58  -3.26
iter:  24 10:53:24  -117.439579c -5.18  -3.38
iter:  25 10:54:17  -117.439155c -5.49  -3.54
iter:  26 10:55:10  -117.439251c -6.31  -3.78
iter:  27 10:56:02  -117.439149c -5.67  -3.74
iter:  28 10:56:48  -117.439189c -6.32  -4.14c
iter:  29 10:57:40  -117.439113c -7.07  -4.06c
iter:  30 10:58:31  -117.439096c -7.16  -4.35c
iter:  31 10:59:20  -117.439080c -7.31  -4.41c
iter:  32 11:00:13  -117.439102c -7.56c -4.51c

Converged after 32 iterations.

Dipole moment: (-5.898835, 0.068956, 0.089615) |e|*Ang

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

Kinetic:       -189.554203
Potential:      +19.254788
External:        +0.000000
XC:             +56.785701
Entropy (-ST):   -2.187569
Local:           -2.831604
--------------------------
Free energy:   -118.532886
Extrapolated:  -117.439102

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34251    1.41376
  0   304     -0.32331    1.33119
  0   305     -0.28128    1.13321
  0   306     -0.25651    1.01015

  1   303     -0.31457    1.29169
  1   304     -0.29386    1.19438
  1   305     -0.24622    0.95873
  1   306     -0.19436    0.70812


Fermi level: -0.25448

No gap

Forces in eV/Ang:
  0 Pd   -0.11294   -0.00184   -0.03174
  1 Pd   -0.00038    0.13889    0.13915
  2 Pd    0.03348    0.12822   -0.18769
  3 Au    0.15379    0.20977   -0.09207
  4 Au    0.19224    0.17796    0.01445
  5 Pd    0.24879    0.14766    0.13731
  6 Pd    0.07039   -0.04774    0.18219
  7 Pd    0.11209   -0.00395    0.34425
  8 Pd    0.10427    0.00090   -0.07904
  9 Pd    0.12204   -0.24473   -0.03194
 10 Pd    0.01441    0.00059    0.09456
 11 Au   -0.00664   -0.17196   -0.45715
 12 Pd   -0.17346   -0.12042   -0.32563
 13 Pd    0.11836   -0.15705   -0.08599
 14 Au    0.19101   -0.17928   -0.01047
 15 Pd    0.28603   -0.15519    0.12416
 16 Pd    0.19525    0.05173    0.31911
 17 Pd    0.27528    0.00481   -0.03116
 18 Au   -0.31689    0.00328    0.42597
 19 Pd    0.11715    0.22984   -0.01509
 20 Au    0.12179   -0.00007   -0.46826
 21 Pd    0.10386   -0.00312    0.02215
 22 Au    0.00742   -0.00098   -0.30306
 23 Pd   -0.01440    0.11507    0.09121
 24 Pd   -0.10161   -0.03403   -0.23363
 25 Pd   -0.14320    0.12415    0.04231
 26 Pd   -0.28687    0.14045   -0.16198
 27 Pd   -0.08331    0.08443    0.02966
 28 Au   -0.15931    0.15404    0.48029
 29 Pd   -0.09696    0.00242   -0.12813
 30 Pd   -0.10782   -0.00168   -0.08090
 31 Pd   -0.01483    0.00038    0.13929
 32 Pd    0.00648   -0.00340    0.22272
 33 Pd    0.15981   -0.11218   -0.05119
 34 Pd   -0.10749    0.03111   -0.17959
 35 Pd   -0.12731   -0.12429    0.00869
 36 Au   -0.35730   -0.17842   -0.18621
 37 Pd   -0.21701   -0.07652    0.16265
 38 Pd   -0.24162   -0.12310    0.31834
 39 Pd    0.15567   -0.00213   -0.04632
 40 Pd   -0.10797   -0.00385   -0.03431

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.976915   -0.000184    9.996826    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993618    2.019337   10.013915    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.991557    2.018270   11.986679    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.009036    0.020977   11.996241    ( 0.0000,  0.0000,  0.0000)
   4 Au     3.007433    0.017796   14.012340    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.018535    2.020213   14.024626    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.995248    2.000674   16.034562    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.004865   -0.000395   16.050767    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.998636    0.000090   18.013886    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.005861    1.980974   18.018595    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.989650    4.010953   10.009456    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.992992    5.999146    9.954285    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.970863    6.004300   11.972884    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.005492    3.995190   11.996848    ( 0.0000,  0.0000,  0.0000)
  14 Au     3.007310    3.992967   14.009848    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.022259    6.000823   14.023311    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.007734    6.021515   16.048253    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.021184    4.011375   16.013227    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.956520    4.011223   18.064387    ( 0.0000,  0.0000,  0.0000)
  19 Pd     5.005372    6.039326   18.020280    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.005835    4.010888   19.980411    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.009490   -0.000312   10.002215    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.983504    2.005349    9.969694    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.997664    2.016954   12.014569    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.972601   -0.003403   11.982084    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.984784    0.012415   14.015126    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.954075    2.019493   13.994696    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.990773    2.013890   16.019308    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.966831    0.015404   16.064371    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.989408    0.000242   18.008977    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.971979    2.005279   18.013699    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.997620    4.010933   10.013929    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.983410    6.016002   10.022272    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.015085    6.005124   12.000328    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.972013    4.014006   11.987489    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.986373    3.998465   14.011763    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.947032    5.998500   13.992273    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.977403    6.008690   16.032607    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.958599    3.998585   16.048177    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.014671    4.010682   18.017157    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.971965    6.015957   18.018359    ( 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 11:01:37  -122.415551  -1.50
iter:   2 11:02:31  -137.956444  -1.52  -1.90
iter:   3 11:03:25  -119.572967  -1.91  -1.59
iter:   4 11:04:19  -117.955570  -2.53  -2.10
iter:   5 11:05:13  -117.913583  -3.04  -2.43
iter:   6 11:06:07  -117.762635c -3.28  -2.40
iter:   7 11:07:02  -117.639850c -3.56  -2.58
iter:   8 11:07:56  -117.627231c -3.88  -2.86
iter:   9 11:08:50  -117.620619c -4.20  -2.96
iter:  10 11:09:44  -117.621081c -4.77  -3.10
iter:  11 11:10:39  -117.619020c -4.86  -3.13
iter:  12 11:11:32  -117.618950c -4.68  -3.27
iter:  13 11:12:25  -117.619443c -5.19  -3.39
iter:  14 11:13:20  -117.619582c -5.44  -3.48
iter:  15 11:14:15  -117.618671c -5.25  -3.53
iter:  16 11:15:01  -117.618109c -5.47  -3.71
iter:  17 11:15:49  -117.617913c -5.90  -3.77
iter:  18 11:16:43  -117.617665c -5.94  -3.75
iter:  19 11:17:37  -117.617419c -6.03  -3.85
iter:  20 11:18:29  -117.617394c -6.70  -3.96
iter:  21 11:19:24  -117.617390c -6.43  -4.04c
iter:  22 11:20:18  -117.617438c -6.54  -4.11c
iter:  23 11:21:13  -117.617592c -6.65  -4.26c
iter:  24 11:22:08  -117.617580c -6.94  -4.21c
iter:  25 11:23:03  -117.617595c -7.00  -4.44c
iter:  26 11:23:59  -117.617562c -7.63c -4.66c

Converged after 26 iterations.

Dipole moment: (-7.675182, -2.776223, 0.093608) |e|*Ang

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

Kinetic:       -192.817665
Potential:      +21.966526
External:        +0.000000
XC:             +57.199549
Entropy (-ST):   -2.201804
Local:           -2.865070
--------------------------
Free energy:   -118.718464
Extrapolated:  -117.617562

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.33540    1.37415
  0   304     -0.31941    1.30342
  0   305     -0.28280    1.12948
  0   306     -0.26432    1.03781

  1   303     -0.31627    1.28909
  1   304     -0.29706    1.19883
  1   305     -0.25226    0.97755
  1   306     -0.20164    0.73119


Fermi level: -0.25676

No gap

Forces in eV/Ang:
  0 Pd   -0.00486   -0.00636   -0.03020
  1 Pd    0.02771    0.07633   -0.00019
  2 Pd   -0.06441    0.00585   -0.06199
  3 Au    0.00108   -0.13064   -0.09439
  4 Au   -0.06366   -0.05898    0.02933
  5 Pd    0.05149   -0.00617    0.09041
  6 Pd    0.01998    0.06739    0.07898
  7 Pd    0.02195    0.01541    0.03294
  8 Pd    0.05324    0.00959    0.05730
  9 Pd    0.04953   -0.06249    0.02126
 10 Pd    0.00153   -0.02150   -0.02344
 11 Au    0.02057   -0.02031   -0.20361
 12 Pd    0.08334    0.02215   -0.00253
 13 Pd    0.02926    0.06816   -0.05625
 14 Au   -0.05174    0.04971    0.08839
 15 Pd    0.02348    0.01680   -0.07139
 16 Pd   -0.04320   -0.04064   -0.01247
 17 Pd   -0.04150   -0.01599    0.18821
 18 Au   -0.12443   -0.01476    0.20192
 19 Pd    0.04874    0.06520    0.07600
 20 Au    0.12753   -0.00532   -0.32777
 21 Pd    0.01576   -0.00798   -0.02553
 22 Au   -0.02510    0.02215   -0.21676
 23 Pd    0.08605    0.02604   -0.05742
 24 Pd    0.00908    0.06893    0.00036
 25 Pd    0.00575    0.00851    0.08601
 26 Pd   -0.02595   -0.00802   -0.02738
 27 Pd   -0.02837    0.01081    0.02772
 28 Au    0.01418   -0.07075   -0.14047
 29 Pd   -0.06166    0.00940    0.07890
 30 Pd   -0.08523    0.00977    0.08753
 31 Pd   -0.00002   -0.02089   -0.00276
 32 Pd   -0.02703   -0.01736    0.01755
 33 Pd   -0.15064    0.00735   -0.10802
 34 Pd    0.00550   -0.09946   -0.07319
 35 Pd   -0.00369   -0.02711   -0.00042
 36 Au    0.08192    0.04938    0.19389
 37 Pd    0.02141    0.01103    0.02701
 38 Pd    0.02638    0.01802    0.01998
 39 Pd    0.07192   -0.01429    0.05260
 40 Pd   -0.08827    0.01163    0.02711

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.973916   -0.000925    9.992803    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.996666    2.030784   10.016928    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.985183    2.021711   11.975749    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.012508    0.011140   11.983822    ( 0.0000,  0.0000,  0.0000)
   4 Au     3.004602    0.015170   14.015891    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.029638    2.022752   14.037592    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.998987    2.007066   16.047246    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.009730    0.001219   16.061906    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.006782    0.001166   18.018483    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.013985    1.968746   18.020244    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.990134    4.008595   10.008932    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.995117    5.993157    9.921860    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.976274    6.004118   11.965506    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.011300    3.999284   11.988769    ( 0.0000,  0.0000,  0.0000)
  14 Au     3.005767    3.994541   14.019369    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.031085    5.999293   14.018143    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.007226    6.018161   16.053835    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.022608    4.009716   16.033308    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.935885    4.009666   18.095947    ( 0.0000,  0.0000,  0.0000)
  19 Pd     5.013302    6.051530   18.028335    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.022558    4.010299   19.934047    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.013493   -0.001261    9.999882    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.980897    2.007771    9.939176    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.006842    2.022336   12.010224    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.971387    0.003459   11.977030    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.982297    0.016061   14.025536    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.944958    2.021670   13.988144    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.985827    2.016923   16.023012    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.964922    0.010957   16.059348    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.980492    0.001332   18.014887    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.960228    2.006320   18.021590    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.997294    4.008638   10.016661    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.980570    6.014012   10.029062    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.001953    6.003489   11.987297    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.970276    4.003714   11.975500    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.983190    3.992766   14.011906    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.948278    6.000058   14.009601    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.975034    6.008239   16.039133    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.956242    3.997889   16.057321    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.025999    4.009059   18.021950    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.959874    6.017156   18.020601    ( 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 11:25:21  -120.903045  -2.15
iter:   2 11:26:16  -148.913826  -1.44  -1.96
iter:   3 11:27:10  -120.070045  -1.96  -1.50
iter:   4 11:28:05  -117.840414  -2.52  -2.15
iter:   5 11:28:59  -117.721805  -3.35  -2.67
iter:   6 11:29:53  -117.722282c -3.94  -2.81
iter:   7 11:30:47  -117.677477c -4.13  -2.82
iter:   8 11:31:41  -117.672556c -4.49  -3.10
iter:   9 11:32:36  -117.669231c -4.64  -3.20
iter:  10 11:33:30  -117.668346c -5.08  -3.35
iter:  11 11:34:25  -117.667837c -5.45  -3.45
iter:  12 11:35:19  -117.669707c -5.18  -3.54
iter:  13 11:36:15  -117.667914c -5.79  -3.45
iter:  14 11:37:10  -117.668159c -6.13  -3.79
iter:  15 11:38:05  -117.667884c -5.78  -3.75
iter:  16 11:39:00  -117.667673c -6.39  -3.98
iter:  17 11:39:54  -117.667614c -6.40  -4.12c
iter:  18 11:40:48  -117.667486c -6.53  -4.18c
iter:  19 11:41:44  -117.667732c -6.43  -4.24c
iter:  20 11:42:39  -117.667402c -6.81  -3.93
iter:  21 11:43:34  -117.667394c -7.34  -4.59c
iter:  22 11:44:29  -117.667431c -7.50c -4.70c

Converged after 22 iterations.

Dipole moment: (-8.207949, -2.589651, 0.095584) |e|*Ang

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

Kinetic:       -195.556723
Potential:      +24.188785
External:        +0.000000
XC:             +57.653896
Entropy (-ST):   -2.202275
Local:           -2.852250
--------------------------
Free energy:   -118.768568
Extrapolated:  -117.667431

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.33855    1.37540
  0   304     -0.32267    1.30524
  0   305     -0.28587    1.13053
  0   306     -0.26804    1.04211

  1   303     -0.31640    1.27656
  1   304     -0.30086    1.20337
  1   305     -0.25678    0.98586
  1   306     -0.20701    0.74291


Fermi level: -0.25961

No gap

Forces in eV/Ang:
  0 Pd    0.00971   -0.00308   -0.02697
  1 Pd    0.02540    0.01726   -0.00361
  2 Pd    0.00465   -0.03248    0.02962
  3 Au   -0.04069   -0.01402   -0.01380
  4 Au    0.02492    0.01202   -0.01774
  5 Pd   -0.07714   -0.04145   -0.02924
  6 Pd   -0.03099    0.03014    0.04796
  7 Pd   -0.04726   -0.02145   -0.06411
  8 Pd   -0.01932    0.00213    0.03391
  9 Pd    0.00895   -0.03192    0.02669
 10 Pd    0.00021   -0.00068   -0.04626
 11 Au   -0.00804    0.00416   -0.14591
 12 Pd    0.04040    0.00633    0.04897
 13 Pd   -0.04838    0.03670    0.01480
 14 Au   -0.01255    0.01467    0.00767
 15 Pd   -0.03390    0.01231   -0.00892
 16 Pd    0.00935   -0.04557    0.04316
 17 Pd   -0.08537    0.03506    0.15406
 18 Au   -0.10346    0.00932    0.07772
 19 Pd   -0.00534    0.04046    0.02611
 20 Au    0.10782   -0.01183   -0.10339
 21 Pd    0.00295    0.00920   -0.04251
 22 Au   -0.01342   -0.00415   -0.16294
 23 Pd   -0.00049   -0.05443   -0.05806
 24 Pd    0.00659    0.00821    0.03761
 25 Pd   -0.00245   -0.02851   -0.01793
 26 Pd    0.05960   -0.01192    0.04025
 27 Pd    0.04943   -0.00725    0.04847
 28 Au    0.04073    0.03185   -0.02012
 29 Pd    0.02750    0.01322    0.08228
 30 Pd   -0.05927   -0.05712    0.04983
 31 Pd    0.00850   -0.01452   -0.06791
 32 Pd   -0.01517   -0.01237    0.00457
 33 Pd   -0.00075    0.01959    0.01022
 34 Pd    0.03536    0.02150    0.03486
 35 Pd    0.03436    0.05645    0.00372
 36 Au    0.01536   -0.01549   -0.03487
 37 Pd    0.00362   -0.00863    0.00357
 38 Pd    0.04767   -0.00433   -0.01083
 39 Pd    0.09192   -0.00650    0.01007
 40 Pd   -0.04786    0.04572    0.03955

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.972882   -0.001716    9.986866    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.001642    2.039735   10.019066    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.983212    2.019878   11.973198    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.009764    0.006545   11.975337    ( 0.0000,  0.0000,  0.0000)
   4 Au     3.008554    0.017269   14.015154    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.026127    2.019417   14.040675    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.996976    2.013818   16.061483    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.006322   -0.001098   16.061112    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.008747    0.001969   18.024658    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.020085    1.956412   18.024472    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.990516    4.007420   10.003030    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.994900    5.989433    9.882259    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.982882    6.003834   11.966064    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.008225    4.004914   11.986362    ( 0.0000,  0.0000,  0.0000)
  14 Au     3.005020    3.995708   14.024731    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.032955    5.998918   14.015636    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.010078    6.010667   16.065372    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.013728    4.013937   16.063960    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.908955    4.010294   18.125259    ( 0.0000,  0.0000,  0.0000)
  19 Pd     5.017256    6.064921   18.035578    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.046537    4.008361   19.893932    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.016688   -0.000429    9.993022    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.977877    2.008290    9.899450    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.010860    2.018182   12.000873    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.970837    0.007460   11.977890    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.979511    0.014844   14.028177    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.946565    2.022264   13.989337    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.989764    2.018061   16.031813    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.968339    0.014796   16.058555    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.979391    0.003718   18.028035    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.945500    1.998735   18.031504    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.998207    4.005540   10.009610    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.977186    6.011325   10.034844    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.997260    6.004482   11.982284    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.973486    4.002295   11.973275    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.985415    3.996973   14.012574    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.947778    5.996975   14.010964    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.972489    6.006122   16.044108    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.959685    3.995844   16.062881    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.045565    4.007378   18.025152    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.946597    6.024114   18.026893    ( 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 11:45:52  -120.644782  -2.26
iter:   2 11:46:49  -150.177266  -1.45  -1.98
iter:   3 11:47:44  -120.321569  -1.98  -1.49
iter:   4 11:48:41  -117.861741  -2.51  -2.13
iter:   5 11:49:36  -117.735574  -3.35  -2.70
iter:   6 11:50:27  -117.738644c -4.06  -2.89
iter:   7 11:51:22  -117.705857c -4.33  -2.90
iter:   8 11:52:18  -117.702404c -4.53  -3.15
iter:   9 11:53:15  -117.698500c -4.71  -3.20
iter:  10 11:54:12  -117.697503c -5.17  -3.39
iter:  11 11:55:08  -117.697154c -5.55  -3.50
iter:  12 11:56:03  -117.697411c -5.35  -3.59
iter:  13 11:56:59  -117.696974c -5.93  -3.67
iter:  14 11:57:55  -117.697077c -6.22  -3.89
iter:  15 11:58:51  -117.696748c -5.89  -3.80
iter:  16 11:59:47  -117.696544c -6.49  -4.02c
iter:  17 12:00:44  -117.696477c -6.75  -4.18c
iter:  18 12:01:40  -117.696335c -6.57  -4.24c
iter:  19 12:02:35  -117.696395c -6.85  -4.49c
iter:  20 12:03:32  -117.696316c -7.35  -4.26c
iter:  21 12:04:28  -117.696335c -7.53c -4.68c

Converged after 21 iterations.

Dipole moment: (-8.230002, -2.819911, 0.094064) |e|*Ang

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

Kinetic:       -199.235524
Potential:      +27.184314
External:        +0.000000
XC:             +58.312935
Entropy (-ST):   -2.198330
Local:           -2.858896
--------------------------
Free energy:   -118.795500
Extrapolated:  -117.696335

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.34718    1.38547
  0   304     -0.32851    1.30326
  0   305     -0.29388    1.13905
  0   306     -0.27364    1.03872

  1   303     -0.32083    1.26800
  1   304     -0.30854    1.21008
  1   305     -0.26474    0.99428
  1   306     -0.21398    0.74613


Fermi level: -0.26589

No gap

Forces in eV/Ang:
  0 Pd    0.00353   -0.00035   -0.01016
  1 Pd    0.00087   -0.01748   -0.01303
  2 Pd   -0.01709   -0.01115   -0.00500
  3 Au   -0.01007   -0.00774   -0.02972
  4 Au   -0.01122   -0.01470    0.01376
  5 Pd   -0.02464    0.03105   -0.01855
  6 Pd   -0.01837    0.00582    0.02838
  7 Pd   -0.02254   -0.00496   -0.05483
  8 Pd   -0.04793   -0.00194    0.02160
  9 Pd   -0.02408   -0.02373   -0.00309
 10 Pd   -0.01191    0.00053   -0.02743
 11 Au   -0.00389    0.01918   -0.02255
 12 Pd    0.02331    0.00890    0.01029
 13 Pd   -0.02015    0.01960    0.01430
 14 Au    0.02916   -0.00598   -0.00016
 15 Pd   -0.04399   -0.01359    0.03368
 16 Pd   -0.02951    0.00060    0.02686
 17 Pd   -0.03992   -0.00667    0.04097
 18 Au   -0.05556    0.00589    0.02908
 19 Pd   -0.02147    0.03411    0.00380
 20 Au    0.05132   -0.01053    0.06823
 21 Pd   -0.01375   -0.00589   -0.02992
 22 Au    0.02099   -0.00385   -0.02582
 23 Pd   -0.00551   -0.01875   -0.00650
 24 Pd    0.01669    0.00782    0.00380
 25 Pd    0.00746   -0.01102   -0.03504
 26 Pd    0.03472   -0.00716    0.03242
 27 Pd   -0.00505   -0.00551   -0.02526
 28 Au    0.02875   -0.01675   -0.00850
 29 Pd    0.04138   -0.00708    0.03253
 30 Pd   -0.00319   -0.06465    0.05338
 31 Pd    0.00984    0.00785   -0.04147
 32 Pd    0.00575    0.00006   -0.00249
 33 Pd    0.00208    0.01296   -0.00098
 34 Pd    0.01835   -0.01559    0.00939
 35 Pd   -0.02736   -0.01104    0.02090
 36 Au    0.02853    0.02789   -0.03716
 37 Pd    0.01982    0.01574   -0.01450
 38 Pd    0.04092    0.01351   -0.02812
 39 Pd    0.08440    0.00822   -0.03334
 40 Pd   -0.00874    0.06629    0.02545

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.972606   -0.002019    9.983779    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.003178    2.040941   10.018407    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.979931    2.018630   11.970502    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.008496    0.003752   11.968163    ( 0.0000,  0.0000,  0.0000)
   4 Au     3.007940    0.015811   14.017173    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.023828    2.023156   14.040637    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.994716    2.016681   16.069896    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.003413   -0.002058   16.055691    ( 0.0000,  0.0000,  0.0000)
   8 Pd     3.004123    0.002019   18.029162    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.019429    1.948967   18.025135    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.989154    4.006968    9.998322    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.994586    5.990149    9.866452    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.987655    6.004715   11.966197    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.005809    4.008875   11.986629    ( 0.0000,  0.0000,  0.0000)
  14 Au     3.008684    3.995116   14.026935    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.029154    5.996704   14.018989    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.007155    6.008811   16.072401    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.007259    4.013823   16.078075    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.893219    4.011013   18.139521    ( 0.0000,  0.0000,  0.0000)
  19 Pd     5.016438    6.073896   18.038524    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.060366    4.006528   19.888018    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.016228   -0.001112    9.987479    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.979617    2.008183    9.883636    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.012045    2.015657   11.997652    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.972565    0.010053   11.977654    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.979370    0.013763   14.025511    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.949905    2.021927   13.992762    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.989297    2.018068   16.030961    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.972308    0.013214   16.057426    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.983290    0.003459   18.035529    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.940409    1.988946   18.041249    ( 0.0000,  0.0000,  0.0000)
  31 Pd     6.999604    4.005610   10.003292    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.976874    6.010519   10.036872    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.995256    6.006006   11.979526    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.976175    3.998880   11.972378    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.981862    3.995656   14.015417    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.950936    5.999783   14.008199    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.973886    6.007510   16.044310    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.965043    3.996867   16.061992    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.062098    4.007875   18.022064    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.941074    6.034221   18.031713    ( 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 12:05:52  -117.997972  -2.81
iter:   2 12:06:48  -120.496563  -2.61  -2.48
iter:   3 12:07:45  -117.949041  -2.88  -2.02
iter:   4 12:08:40  -117.712587  -3.76  -2.55
iter:   5 12:09:34  -117.712544c -4.39  -3.24
iter:   6 12:10:31  -117.707750c -4.97  -3.19
iter:   7 12:11:27  -117.706650c -5.04  -3.47
iter:   8 12:12:23  -117.706335c -5.37  -3.63
iter:   9 12:13:18  -117.706380c -5.80  -3.75
iter:  10 12:14:06  -117.706326c -6.08  -3.81
iter:  11 12:14:56  -117.706066c -6.03  -3.80
iter:  12 12:15:49  -117.706021c -6.44  -4.10c
iter:  13 12:16:44  -117.705952c -6.69  -4.22c
iter:  14 12:17:38  -117.705891c -6.67  -4.31c
iter:  15 12:18:33  -117.705832c -7.12  -4.59c
iter:  16 12:19:27  -117.705847c -7.55c -4.67c

Converged after 16 iterations.

Dipole moment: (-7.924368, -2.525480, 0.091274) |e|*Ang

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

Kinetic:       -201.898735
Potential:      +29.404392
External:        +0.000000
XC:             +58.749961
Entropy (-ST):   -2.194998
Local:           -2.863966
--------------------------
Free energy:   -118.803346
Extrapolated:  -117.705847

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.35448    1.39491
  0   304     -0.33358    1.30326
  0   305     -0.30031    1.14571
  0   306     -0.27762    1.03328

  1   303     -0.32588    1.26791
  1   304     -0.31419    1.21286
  1   305     -0.27115    1.00096
  1   306     -0.21852    0.74366


Fermi level: -0.27096

No gap

Forces in eV/Ang:
  0 Pd   -0.00264   -0.00261   -0.01747
  1 Pd   -0.00586   -0.00984   -0.01392
  2 Pd    0.00462   -0.00660   -0.00278
  3 Au   -0.00739    0.01020    0.01335
  4 Au    0.01762    0.01188   -0.00821
  5 Pd   -0.01593   -0.00519   -0.02743
  6 Pd   -0.01115   -0.00838    0.01432
  7 Pd    0.00142    0.00506   -0.01219
  8 Pd   -0.02653   -0.00106    0.02460
  9 Pd   -0.01689    0.00452    0.00605
 10 Pd   -0.00087    0.00813   -0.01742
 11 Au   -0.00424    0.00258    0.01408
 12 Pd    0.00185   -0.00310   -0.01240
 13 Pd    0.00603    0.00022   -0.02220
 14 Au    0.00139   -0.00301   -0.00924
 15 Pd   -0.01335   -0.00010    0.02707
 16 Pd   -0.01657   -0.00222    0.02412
 17 Pd   -0.00691    0.00026    0.02950
 18 Au    0.01144    0.00729    0.03659
 19 Pd   -0.01675   -0.00730    0.00703
 20 Au    0.02180   -0.00584    0.03757
 21 Pd    0.00026   -0.00169   -0.02332
 22 Au    0.00893   -0.00691    0.01795
 23 Pd   -0.00423    0.00602   -0.00113
 24 Pd    0.00531    0.00481   -0.02222
 25 Pd   -0.00566    0.00030   -0.03101
 26 Pd    0.01070    0.00113    0.01386
 27 Pd    0.00216   -0.01856   -0.01051
 28 Au   -0.01561    0.00856   -0.00829
 29 Pd    0.00936   -0.00138   -0.00249
 30 Pd    0.00699   -0.03970    0.02603
 31 Pd    0.00403    0.00875   -0.01274
 32 Pd    0.01256    0.00426   -0.00436
 33 Pd    0.00937   -0.01177    0.00700
 34 Pd   -0.00750   -0.00299    0.01122
 35 Pd    0.00024    0.00856    0.00741
 36 Au   -0.00119   -0.01683   -0.04341
 37 Pd    0.00574    0.00872   -0.01875
 38 Pd    0.01707    0.00787   -0.01804
 39 Pd    0.01478    0.00638   -0.01744
 40 Pd    0.00773    0.03849    0.03329

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Pd     2.972146   -0.002490    9.980412    ( 0.0000,  0.0000,  0.0000)
   1 Pd     5.003029    2.040502   10.016417    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.979275    2.017438   11.969036    ( 0.0000,  0.0000,  0.0000)
   3 Au     5.007157    0.003550   11.967379    ( 0.0000,  0.0000,  0.0000)
   4 Au     3.009777    0.016672   14.016786    ( 0.0000,  0.0000,  0.0000)
   5 Pd     5.021367    2.023390   14.037560    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.992735    2.016802   16.074635    ( 0.0000,  0.0000,  0.0000)
   7 Pd     5.002912   -0.001584   16.052815    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.999719    0.001956   18.034008    ( 0.0000,  0.0000,  0.0000)
   9 Pd     5.017377    1.947088   18.026281    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.988689    4.007783    9.994568    ( 0.0000,  0.0000,  0.0000)
  11 Au     4.994059    5.990523    9.862493    ( 0.0000,  0.0000,  0.0000)
  12 Pd     2.989725    6.004666   11.964592    ( 0.0000,  0.0000,  0.0000)
  13 Pd     5.006094    4.010415   11.983422    ( 0.0000,  0.0000,  0.0000)
  14 Au     3.009533    3.994863   14.026871    ( 0.0000,  0.0000,  0.0000)
  15 Pd     5.026533    5.996197   14.023012    ( 0.0000,  0.0000,  0.0000)
  16 Pd     3.003972    6.007705   16.077508    ( 0.0000,  0.0000,  0.0000)
  17 Pd     5.004284    4.013783   16.087152    ( 0.0000,  0.0000,  0.0000)
  18 Au     2.889527    4.012088   18.149629    ( 0.0000,  0.0000,  0.0000)
  19 Pd     5.014334    6.075843   18.040755    ( 0.0000,  0.0000,  0.0000)
  20 Au     5.067925    4.005217   19.889070    ( 0.0000,  0.0000,  0.0000)
  21 Pd     7.016266   -0.001552    9.982702    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.981080    2.007376    9.880106    ( 0.0000,  0.0000,  0.0000)
  23 Pd     7.012342    2.015880   11.996209    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.973774    0.011819   11.974674    ( 0.0000,  0.0000,  0.0000)
  25 Pd     6.978590    0.013549   14.021233    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.952078    2.021944   13.995361    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.989341    2.015696   16.029606    ( 0.0000,  0.0000,  0.0000)
  28 Au     0.971426    0.013558   16.055209    ( 0.0000,  0.0000,  0.0000)
  29 Pd     6.985198    0.003289   18.037799    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.939323    1.981074   18.047893    ( 0.0000,  0.0000,  0.0000)
  31 Pd     7.000518    4.006628    9.999832    ( 0.0000,  0.0000,  0.0000)
  32 Pd     0.978254    6.010737   10.036999    ( 0.0000,  0.0000,  0.0000)
  33 Pd     6.995038    6.004914   11.979039    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.975971    3.996989   11.973177    ( 0.0000,  0.0000,  0.0000)
  35 Pd     6.980955    3.996330   14.017155    ( 0.0000,  0.0000,  0.0000)
  36 Au     0.952090    5.998560   14.002867    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.975113    6.009070   16.042098    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.968915    3.998260   16.059547    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.069079    4.008749   18.019281    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.939969    6.042134   18.037616    ( 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 12:20:49  -117.832594  -3.25
iter:   2 12:21:43  -119.538919  -2.91  -2.67
iter:   3 12:22:25  -117.767063  -3.20  -2.09
iter:   4 12:23:15  -117.711246  -4.14  -2.90
iter:   5 12:24:11  -117.710926c -4.87  -3.50
iter:   6 12:25:05  -117.709690c -5.32  -3.52
iter:   7 12:25:59  -117.709366c -5.55  -3.75
iter:   8 12:26:54  -117.709166c -6.04  -3.89
iter:   9 12:27:49  -117.709297c -6.21  -3.99
iter:  10 12:28:41  -117.709200c -6.37  -3.97
iter:  11 12:29:30  -117.709152c -6.52  -4.03c
iter:  12 12:30:14  -117.709178c -6.83  -4.35c
iter:  13 12:31:01  -117.709086c -7.21  -4.48c
iter:  14 12:31:56  -117.709059c -6.96  -4.55c
iter:  15 12:32:51  -117.709023c -7.59c -4.79c

Converged after 15 iterations.

Dipole moment: (-7.744501, -2.614225, 0.089562) |e|*Ang

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

Kinetic:       -203.339139
Potential:      +30.605338
External:        +0.000000
XC:             +58.989290
Entropy (-ST):   -2.193726
Local:           -2.867649
--------------------------
Free energy:   -118.805886
Extrapolated:  -117.709023

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.35762    1.40184
  0   304     -0.33560    1.30562
  0   305     -0.30247    1.14894
  0   306     -0.27821    1.02879

  1   303     -0.32742    1.26812
  1   304     -0.31589    1.21384
  1   305     -0.27359    1.00569
  1   306     -0.21951    0.74127


Fermi level: -0.27245

No gap

Forces in eV/Ang:
  0 Pd    0.00401   -0.00177   -0.01548
  1 Pd   -0.00546   -0.00794   -0.01100
  2 Pd    0.00718    0.01051   -0.00712
  3 Au    0.00857    0.00227   -0.00386
  4 Au   -0.00807   -0.00159    0.00384
  5 Pd   -0.00067    0.01237    0.00036
  6 Pd   -0.00354   -0.00757    0.00675
  7 Pd   -0.00347    0.00235    0.02609
  8 Pd   -0.01296   -0.00135    0.00970
  9 Pd   -0.00195   -0.00065    0.00599
 10 Pd   -0.00278    0.00198   -0.00726
 11 Au    0.00167    0.00497    0.01755
 12 Pd   -0.00485   -0.00540   -0.00818
 13 Pd    0.00266   -0.00807   -0.00898
 14 Au    0.01268   -0.00404   -0.00245
 15 Pd   -0.00473   -0.00727    0.01368
 16 Pd   -0.01205    0.01129    0.00891
 17 Pd    0.00439   -0.00454   -0.00598
 18 Au   -0.00159    0.00085    0.01949
 19 Pd    0.00016   -0.00236    0.00012
 20 Au    0.02194   -0.00356    0.01198
 21 Pd   -0.00319   -0.00246   -0.00539
 22 Au    0.00101    0.00192    0.02010
 23 Pd   -0.00348    0.00775   -0.00001
 24 Pd   -0.00145   -0.00310   -0.00882
 25 Pd    0.00352   -0.00008   -0.01824
 26 Pd   -0.00200   -0.00084   -0.00527
 27 Pd   -0.00190    0.00138    0.00348
 28 Au   -0.00699   -0.00485   -0.00835
 29 Pd   -0.01214   -0.00254   -0.01525
 30 Pd    0.01145   -0.00550    0.00144
 31 Pd    0.00667    0.00400   -0.00583
 32 Pd    0.00752   -0.00016   -0.00415
 33 Pd    0.00025   -0.00117   -0.00023
 34 Pd   -0.00230   -0.00345   -0.00606
 35 Pd   -0.00903   -0.00319    0.01044
 36 Au    0.00334    0.00562   -0.01757
 37 Pd    0.00316    0.00295    0.00227
 38 Pd    0.00257   -0.00152    0.02640
 39 Pd   -0.00200    0.00248   -0.01034
 40 Pd    0.00996    0.01272    0.01518

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    26.941    26.941   0.4% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                    112.125   112.125   1.5% ||
Hamiltonian:                                15.100     0.085   0.0% |
 Atomic:                                     2.286     1.430   0.0% |
  XC Correction:                             0.856     0.856   0.0% |
 Calculate atomic Hamiltonians:              8.852     8.852   0.1% |
 Communicate:                                0.001     0.001   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.068     0.068   0.0% |
 XC 3D grid:                                 3.807     3.807   0.1% |
LCAO initialization:                        76.992     0.394   0.0% |
 LCAO eigensolver:                           6.259     0.002   0.0% |
  Calculate projections:                     0.038     0.038   0.0% |
  DenseAtomicCorrection:                     0.034     0.034   0.0% |
  Distribute overlap matrix:                 0.009     0.009   0.0% |
  Orbital Layouts:                           0.400     0.400   0.0% |
  Potential matrix:                          5.735     5.735   0.1% |
  Sum over cells:                            0.041     0.041   0.0% |
 LCAO to grid:                              68.935    68.935   0.9% |
 Set positions (LCAO WFS):                   1.404     0.305   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.774     0.774   0.0% |
  ST tci:                                    0.252     0.252   0.0% |
  mktci:                                     0.070     0.070   0.0% |
PWDescriptor:                                0.900     0.900   0.0% |
Redistribute:                                0.036     0.036   0.0% |
SCF-cycle:                                7036.393   371.322   5.1% |-|
 Davidson:                                5787.892  1195.365  16.4% |------|
  Apply H:                                 608.965   596.341   8.2% |--|
   HMM T:                                   12.624    12.624   0.2% |
  Subspace diag:                           987.553     0.043   0.0% |
   calc_h_matrix:                          734.344   141.463   1.9% ||
    Apply H:                               592.881   579.868   7.9% |--|
     HMM T:                                 13.013    13.013   0.2% |
   diagonalize:                             29.411    29.411   0.4% |
   rotate_psi:                             223.755   223.755   3.1% ||
  calc. matrices:                         2107.143   939.019  12.9% |----|
   Apply H:                               1168.124  1143.810  15.7% |-----|
    HMM T:                                  24.315    24.315   0.3% |
  diagonalize:                             479.756   479.756   6.6% |--|
  rotate_psi:                              409.110   409.110   5.6% |-|
 Density:                                  553.487     0.010   0.0% |
  Atomic density matrices:                   1.900     1.900   0.0% |
  Mix:                                     231.132   231.132   3.2% ||
  Multipole moments:                         0.143     0.143   0.0% |
  Pseudo density:                          320.303   320.294   4.4% |-|
   Symmetrize density:                       0.009     0.009   0.0% |
 Hamiltonian:                              302.353     1.966   0.0% |
  Atomic:                                   42.242    23.797   0.3% |
   XC Correction:                           18.445    18.445   0.3% |
  Calculate atomic Hamiltonians:           176.462   176.462   2.4% ||
  Communicate:                               0.082     0.082   0.0% |
  Poisson:                                   1.353     1.353   0.0% |
  XC 3D grid:                               80.249    80.249   1.1% |
 Orthonormalize:                            21.338     0.004   0.0% |
  calc_s_matrix:                             3.274     3.274   0.0% |
  inverse-cholesky:                          0.545     0.545   0.0% |
  projections:                              12.393    12.393   0.2% |
  rotate_psi_s:                              5.121     5.121   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      35.311    35.311   0.5% |
-------------------------------------------------------------------
Total:                                              7303.799 100.0%

Memory usage: 1.00 GiB
Date: Mon Mar 27 12:33:08 2023
