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

User:   lacmarco@node054.cluster
Date:   Mon Mar 27 11:02:13 2023
Arch:   x86_64
Pid:    87582
Python: 3.10.4
gpaw:   /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/gpaw
_gpaw:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/
        _gpaw.cpython-310-x86_64-linux-gnu.so
ase:    /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/ase (version 3.22.1)
numpy:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/numpy (version 1.23.1)
scipy:  /groups/kemi/lacmarco/miniconda3/envs/gpaw22/lib/python3.10/site-packages/scipy (version 1.9.0)
libxc:  5.2.3
units:  Angstrom and eV
cores: 16
OpenMP: True
OMP_NUM_THREADS: 1

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

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

Initialize ...

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

  Using partial waves for Au as LCAO basis

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

  Using partial waves for Pd as LCAO basis

Reference energy: -9041063.528220

Spin-paired calculation

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

Symmetries present (total): 1

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

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

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

Occupation numbers: Fermi-Dirac: width=0.1000 eV
 

Eigensolver
   Davidson(niter=2) 

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

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

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

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 181.42 MiB
  Calculator: 504.68 MiB
    Density: 54.04 MiB
      Arrays: 22.22 MiB
      Localized functions: 23.28 MiB
      Mixer: 8.54 MiB
    Hamiltonian: 15.09 MiB
      Arrays: 14.53 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.57 MiB
    Wavefunctions: 435.54 MiB
      Arrays psit_nG: 199.03 MiB
      Eigensolver: 222.73 MiB
      Projections: 2.09 MiB
      Projectors: 2.82 MiB
      PW-descriptor: 8.88 MiB

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

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

... initialized

Initializing position-dependent things.

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

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

Positions:
   0 Au     2.988209    0.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.993657    2.005447   10.000000    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.988209    2.005447   12.005447    ( 0.0000,  0.0000,  0.0000)
   3 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 Pd     4.993657    4.010895   12.005447    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.988209    4.010895   14.010895    ( 0.0000,  0.0000,  0.0000)
  15 Au     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 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 Pd     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 Au     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 Au     6.999104    4.010895   14.010895    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982762    6.016342   14.010895    ( 0.0000,  0.0000,  0.0000)
  37 Pd     6.999104    6.016342   16.016342    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.982762    4.010895   16.016342    ( 0.0000,  0.0000,  0.0000)
  39 Pd     6.999104    4.010895   18.021790    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.982762    6.016342   18.021790    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   8.021790   8.021790  30.027237
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:
                         energy  eigst   dens
iter:   1 11:04:12  -153.816006
iter:   2 11:04:56  -148.559060  -1.23  -1.20
iter:   3 11:05:53  -150.992562  -1.53  -1.24
iter:   4 11:06:52  -140.187408  -1.44  -1.24
iter:   5 11:07:51  -131.186761  -0.84  -1.30
iter:   6 11:08:48  -126.551378  -1.25  -1.53
iter:   7 11:09:46  -121.948200  -1.98  -1.74
iter:   8 11:10:44  -119.213365  -1.76  -1.82
iter:   9 11:11:42  -119.439129  -2.43  -1.99
iter:  10 11:12:41  -118.669436  -2.47  -2.02
iter:  11 11:13:27  -118.596936  -3.34  -2.18
iter:  12 11:14:14  -118.244363  -2.73  -2.18
iter:  13 11:14:55  -118.172847  -3.00  -2.41
iter:  14 11:15:34  -118.092762c -2.94  -2.39
iter:  15 11:16:18  -117.969985c -3.64  -2.55
iter:  16 11:17:03  -117.967073c -4.34  -2.75
iter:  17 11:17:48  -117.946289c -4.18  -2.79
iter:  18 11:18:44  -117.964181c -4.17  -2.94
iter:  19 11:19:41  -117.950827c -4.34  -2.93
iter:  20 11:20:28  -117.946461c -4.93  -3.12
iter:  21 11:21:19  -117.944355c -5.10  -3.34
iter:  22 11:22:16  -117.942758c -5.50  -3.58
iter:  23 11:23:06  -117.943540c -6.27  -3.67
iter:  24 11:24:14  -117.942946c -6.27  -3.71
iter:  25 11:25:10  -117.943735c -5.99  -3.75
iter:  26 11:26:00  -117.943796c -6.22  -3.86
iter:  27 11:27:07  -117.943858c -6.74  -3.91
iter:  28 11:28:14  -117.943946c -6.41  -4.00
iter:  29 11:29:16  -117.943043c -6.42  -4.04c
iter:  30 11:30:06  -117.943343c -7.34  -4.17c
iter:  31 11:31:07  -117.943353c -6.91  -4.27c
iter:  32 11:32:04  -117.943376c -7.17  -4.47c
iter:  33 11:32:54  -117.943362c -7.55c -4.59c

Converged after 33 iterations.

Dipole moment: (-3.896846, 0.172074, 0.117592) |e|*Ang

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

Kinetic:       -193.925572
Potential:      +21.142456
External:        +0.000000
XC:             +58.773549
Entropy (-ST):   -2.238445
Local:           -2.814573
--------------------------
Free energy:   -119.062585
Extrapolated:  -117.943362

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.38161    1.45690
  0   304     -0.34433    1.29767
  0   305     -0.33690    1.26346
  0   306     -0.29708    1.07062

  1   303     -0.32919    1.22723
  1   304     -0.31617    1.16465
  1   305     -0.29823    1.07632
  1   306     -0.27211    0.94594


Fermi level: -0.28294

No gap

Forces in eV/Ang:
  0 Au    0.12277    0.30171   -0.54705
  1 Pd   -0.01886   -0.01342    0.14807
  2 Pd    0.16143    0.15405    0.23746
  3 Pd    0.29054    0.40968    0.08381
  4 Pd   -0.12925    0.26968    0.19431
  5 Pd   -0.14495   -0.12417    0.03180
  6 Pd   -0.02750   -0.03147    0.03824
  7 Pd    0.00000    0.11830    0.32509
  8 Pd   -0.02053    0.00577   -0.27188
  9 Pd   -0.00363   -0.14693   -0.03549
 10 Pd    0.07579   -0.19466   -0.03683
 11 Au    0.18462    0.01037   -0.53713
 12 Au   -0.17091   -0.20802    0.28406
 13 Pd   -0.13220   -0.41172   -0.08723
 14 Pd   -0.11375   -0.26236    0.18748
 15 Au   -0.00886    0.16640    0.20216
 16 Pd   -0.15335    0.03873    0.19977
 17 Pd   -0.11821   -0.12250    0.25459
 18 Pd   -0.14999   -0.00203   -0.04378
 19 Pd   -0.00236    0.14087   -0.02569
 20 Au   -0.00858   -0.00853   -0.58104
 21 Pd   -0.09344    0.07032    0.07409
 22 Au    0.00133    0.00094   -0.34722
 23 Pd   -0.15112   -0.26588    0.10365
 24 Pd   -0.27214    0.12953    0.32563
 25 Pd    0.12697    0.13434    0.06607
 26 Pd    0.13773   -0.13530    0.04942
 27 Pd    0.03315   -0.15406    0.15329
 28 Pd   -0.00288   -0.00087    0.05604
 29 Pd    0.02865   -0.00380   -0.23374
 30 Pd    0.00623   -0.01946   -0.25922
 31 Au   -0.11512   -0.11345   -0.39873
 32 Au   -0.17677    0.00335   -0.53010
 33 Pd    0.12732    0.26276    0.07938
 34 Pd    0.12501   -0.13402    0.20918
 35 Au    0.17118   -0.17716    0.03514
 36 Pd    0.01691    0.13038    0.20500
 37 Pd    0.14306    0.15981    0.30941
 38 Pd    0.12226   -0.00302    0.32401
 39 Pd    0.14743    0.00489   -0.02860
 40 Pd    0.00316    0.02005   -0.23653

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     3.000486    0.030171    9.945295    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.991770    2.004105   10.014807    ( 0.0000,  0.0000,  0.0000)
   2 Pd     3.004352    2.020852   12.029193    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.022710    0.040968   12.013828    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.975284    0.026968   14.030326    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.979162    1.993031   14.014075    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.985459    2.002300   16.020166    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.993657    0.011830   16.048851    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.986156    0.000577   17.994601    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993294    1.990754   18.018241    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.995788    3.991428    9.996317    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.012119    6.017379    9.946287    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.971119    5.995540   12.033854    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.980437    3.969723   11.996725    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.976834    3.984659   14.029643    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.992771    6.032982   14.031110    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.972874    6.020216   16.036320    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.981835    3.998644   16.041801    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.973210    4.010691   18.017412    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.993421    6.030429   18.019221    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.992799    4.010042   19.969133    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.989760    0.007032   10.007409    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.982895    2.005542    9.965278    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.983992    1.978860   12.015812    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.955548    0.012953   12.038011    ( 0.0000,  0.0000,  0.0000)
  25 Pd     7.011801    0.013434   14.017502    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.996535    1.991917   14.015837    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.002419    1.990042   16.031672    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.982474   -0.000087   16.021946    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.001969   -0.000380   17.998415    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.983384    2.003501   17.995868    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.987592    3.999549    9.960127    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.965084    6.016677    9.946990    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.011836    6.042618   12.013385    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.995262    3.997493   12.026366    ( 0.0000,  0.0000,  0.0000)
  35 Au     7.016222    3.993178   14.014409    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.984453    6.029380   14.031395    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.013410    6.032324   16.047284    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.994988    4.010593   16.048743    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.013847    4.011384   18.018929    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.983077    6.018347   17.998136    ( 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 11:34:15  -149.758380  -1.22
iter:   2 11:35:04  -269.378660  -0.34  -1.46
iter:   3 11:35:54  -130.265635  -1.17  -1.11
iter:   4 11:36:44  -119.438778  -1.77  -1.80
iter:   5 11:37:32  -118.571714  -2.52  -2.20
iter:   6 11:38:21  -118.347091  -2.95  -2.34
iter:   7 11:39:11  -118.267164c -3.22  -2.48
iter:   8 11:40:01  -118.386099c -3.25  -2.62
iter:   9 11:40:49  -118.220764c -3.77  -2.51
iter:  10 11:41:38  -118.194481c -4.34  -2.80
iter:  11 11:42:27  -118.188147c -4.50  -2.98
iter:  12 11:43:17  -118.185869c -4.61  -3.10
iter:  13 11:44:07  -118.184901c -4.73  -3.15
iter:  14 11:44:55  -118.184409c -5.19  -3.33
iter:  15 11:45:43  -118.185757c -4.99  -3.29
iter:  16 11:46:31  -118.182607c -5.46  -3.58
iter:  17 11:47:19  -118.183173c -5.71  -3.63
iter:  18 11:48:09  -118.183527c -5.81  -3.82
iter:  19 11:48:59  -118.183386c -6.07  -3.92
iter:  20 11:49:49  -118.183600c -6.40  -4.06c
iter:  21 11:50:38  -118.183101c -6.39  -4.09c
iter:  22 11:51:26  -118.183486c -6.89  -4.22c
iter:  23 11:52:17  -118.182915c -6.83  -4.26c
iter:  24 11:53:07  -118.183110c -7.03  -4.29c
iter:  25 11:53:59  -118.183133c -7.23  -4.55c
iter:  26 11:54:49  -118.183170c -7.60c -4.66c

Converged after 26 iterations.

Dipole moment: (-3.588661, -6.395802, 0.127277) |e|*Ang

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

Kinetic:       -202.607351
Potential:      +28.698523
External:        +0.000000
XC:             +59.682066
Entropy (-ST):   -2.240261
Local:           -2.836278
--------------------------
Free energy:   -119.303301
Extrapolated:  -118.183170

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.38049    1.43838
  0   304     -0.34171    1.26947
  0   305     -0.33548    1.24036
  0   306     -0.30503    1.09265

  1   303     -0.33074    1.21790
  1   304     -0.32023    1.16729
  1   305     -0.30052    1.07023
  1   306     -0.27169    0.92633


Fermi level: -0.28645

No gap

Forces in eV/Ang:
  0 Au    0.02974   -0.00232   -0.07932
  1 Pd    0.00103   -0.01215   -0.02317
  2 Pd   -0.08731   -0.09549   -0.01150
  3 Pd   -0.11661   -0.09641   -0.00956
  4 Pd    0.01740    0.00766    0.06714
  5 Pd    0.01939   -0.01007    0.20948
  6 Pd    0.00173   -0.00369    0.07167
  7 Pd   -0.00325    0.02382    0.06889
  8 Pd   -0.05189    0.02494   -0.08192
  9 Pd   -0.00961   -0.10990    0.02416
 10 Pd    0.01382   -0.03514   -0.01176
 11 Au   -0.03486    0.04660   -0.09938
 12 Au    0.04523    0.14491   -0.14401
 13 Pd    0.07242    0.07024    0.01022
 14 Pd    0.01017   -0.02165    0.22718
 15 Au    0.02814   -0.00889    0.10261
 16 Pd    0.01331    0.00196    0.01324
 17 Pd    0.02282   -0.01327    0.06681
 18 Pd   -0.11134   -0.01908    0.02032
 19 Pd   -0.01129    0.11049   -0.02139
 20 Au   -0.00888   -0.01111   -0.38224
 21 Pd   -0.01630    0.06310   -0.02252
 22 Au   -0.01637   -0.00211   -0.10510
 23 Pd    0.08937    0.07734   -0.01338
 24 Pd    0.11365    0.02807   -0.09181
 25 Pd   -0.01655    0.03420    0.22217
 26 Pd   -0.00055   -0.00243    0.12271
 27 Pd   -0.00070    0.01125    0.01112
 28 Pd    0.00234    0.03295    0.00550
 29 Pd    0.05467    0.01783   -0.01478
 30 Pd    0.01436   -0.05151   -0.07803
 31 Au   -0.00642   -0.07664   -0.09667
 32 Au    0.01711    0.03825   -0.17222
 33 Pd   -0.01790   -0.07537   -0.00473
 34 Pd   -0.08993   -0.06797   -0.07443
 35 Au   -0.02888    0.00347    0.10707
 36 Pd   -0.02404   -0.00555    0.19270
 37 Pd   -0.01717   -0.02828    0.01998
 38 Pd   -0.01376   -0.02440    0.05955
 39 Pd    0.11275   -0.01408   -0.02834
 40 Pd    0.01224    0.04906   -0.01525

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     3.006110    0.035566    9.926180    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.991532    2.002496   10.014993    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.997622    2.013070   12.032359    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.015126    0.037874   12.014331    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.974806    0.032878   14.041469    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.978612    1.989578   14.038077    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.985138    2.001298   16.028892    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.993293    0.016708   16.062641    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.979974    0.003471   17.980352    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.992152    1.975720   18.020275    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.998753    3.983854    9.994314    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.011684    6.022780    9.925116    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.972969    6.007833   12.023087    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.986051    3.969854   11.996231    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.975838    3.977323   14.058540    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.995749    6.035107   14.046364    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.971487    6.021160   16.041543    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.982169    3.994865   16.054037    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.957958    4.008521   18.018862    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.992116    6.045414   18.016349    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.991646    4.008641   19.915534    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.986187    0.015401   10.006282    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.981091    2.005324    9.947028    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.991145    1.982518   12.016259    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.963146    0.018516   12.033855    ( 0.0000,  0.0000,  0.0000)
  25 Pd     7.012331    0.019773   14.043564    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.999055    1.989110   14.030474    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.002961    1.988412   16.035787    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.982682    0.003579   16.023612    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.008614    0.001541   17.992383    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.985106    1.997382   17.982291    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.984716    3.988860    9.941852    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.963683    6.021014    9.917813    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.012222    6.039120   12.014345    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.987557    3.987387   12.021970    ( 0.0000,  0.0000,  0.0000)
  35 Au     7.016203    3.990245   14.027031    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.982083    6.031204   14.056768    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.014173    6.032159   16.055314    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.995742    4.007810   16.061469    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.029207    4.009903   18.015227    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.984504    6.024204   17.991999    ( 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 11:56:02  -129.080001  -1.82
iter:   2 11:56:53  -182.063052  -0.97  -1.71
iter:   3 11:57:44  -124.137192  -1.68  -1.34
iter:   4 11:58:32  -118.649213  -2.17  -1.94
iter:   5 11:59:24  -118.360766  -2.98  -2.44
iter:   6 12:00:14  -118.319109  -3.46  -2.62
iter:   7 12:01:05  -118.282910c -3.77  -2.70
iter:   8 12:01:54  -118.297168c -3.84  -2.88
iter:   9 12:02:45  -118.254327c -4.27  -2.78
iter:  10 12:03:35  -118.248309c -4.79  -3.08
iter:  11 12:04:25  -118.242953c -4.71  -3.22
iter:  12 12:05:11  -118.244432c -5.22  -3.50
iter:  13 12:06:01  -118.242733c -5.67  -3.59
iter:  14 12:06:51  -118.241988c -5.62  -3.58
iter:  15 12:07:41  -118.242997c -5.60  -3.65
iter:  16 12:08:31  -118.241639c -6.14  -3.98
iter:  17 12:09:19  -118.242290c -6.24  -3.82
iter:  18 12:10:08  -118.242425c -6.57  -4.12c
iter:  19 12:10:59  -118.243110c -6.47  -4.18c
iter:  20 12:11:50  -118.242750c -6.84  -4.14c
iter:  21 12:12:41  -118.242489c -7.04  -4.41c
iter:  22 12:13:31  -118.242720c -7.48c -4.56c

Converged after 22 iterations.

Dipole moment: (-3.355700, -8.302841, 0.130612) |e|*Ang

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

Kinetic:       -204.004175
Potential:      +29.805938
External:        +0.000000
XC:             +59.901594
Entropy (-ST):   -2.234503
Local:           -2.828825
--------------------------
Free energy:   -119.359972
Extrapolated:  -118.242720

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.37904    1.42082
  0   304     -0.34409    1.26728
  0   305     -0.33657    1.23203
  0   306     -0.31068    1.10645

  1   303     -0.33259    1.21311
  1   304     -0.32224    1.16319
  1   305     -0.30093    1.05805
  1   306     -0.27386    0.92293


Fermi level: -0.28931

No gap

Forces in eV/Ang:
  0 Au   -0.00825   -0.01429   -0.04962
  1 Pd   -0.00033   -0.00427    0.00532
  2 Pd   -0.03172   -0.01464    0.00258
  3 Pd   -0.03282   -0.06769    0.03531
  4 Pd    0.03068   -0.06553    0.01490
  5 Pd    0.02688    0.01382    0.04254
  6 Pd    0.01749    0.00615    0.06936
  7 Pd   -0.00385   -0.02398    0.00128
  8 Pd   -0.05058    0.00907    0.01536
  9 Pd    0.00224   -0.08688    0.00750
 10 Pd   -0.00114    0.00831    0.04049
 11 Au   -0.00312    0.00069   -0.02266
 12 Au   -0.02097   -0.00449   -0.02711
 13 Pd    0.00406    0.08061    0.04801
 14 Pd    0.01375    0.07432   -0.00975
 15 Au   -0.02285   -0.02505    0.00289
 16 Pd    0.04511   -0.01029    0.00388
 17 Pd    0.03086    0.01860    0.09949
 18 Pd   -0.08822   -0.00570   -0.00368
 19 Pd   -0.00939    0.08633   -0.03973
 20 Au   -0.00056   -0.00283   -0.19934
 21 Pd   -0.00136    0.01712    0.01622
 22 Au    0.00733   -0.01309   -0.07037
 23 Pd    0.02639    0.01906    0.03441
 24 Pd    0.03841   -0.04547   -0.06016
 25 Pd   -0.02226   -0.00997    0.01640
 26 Pd   -0.02380    0.02914    0.04530
 27 Pd   -0.01226    0.05053    0.03827
 28 Pd    0.00638    0.00491    0.00509
 29 Pd    0.05125    0.01234    0.04890
 30 Pd    0.00146   -0.04859    0.02303
 31 Au   -0.00331    0.01014   -0.04523
 32 Au    0.00351    0.00776   -0.04065
 33 Pd    0.01704   -0.03566   -0.02116
 34 Pd    0.00221    0.05713   -0.03797
 35 Au   -0.02254    0.02060    0.04561
 36 Pd    0.02451   -0.03071   -0.01778
 37 Pd   -0.04074   -0.04463    0.01701
 38 Pd   -0.03326   -0.00477   -0.00707
 39 Pd    0.08405   -0.01394   -0.03495
 40 Pd    0.00992    0.04912    0.03967

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     3.007413    0.037313    9.910040    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.991280    2.001369   10.016890    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.992624    2.010094   12.035353    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.010713    0.030747   12.019979    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.977951    0.027436   14.048004    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.981094    1.989624   14.050697    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.987263    2.001641   16.041133    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.992661    0.015599   16.068990    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.971150    0.005553   17.976581    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.992125    1.958532   18.021597    ( 0.0000,  0.0000,  0.0000)
  10 Pd     2.999967    3.981493    9.999094    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.012519    6.024415    9.912223    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.969289    6.008980   12.018553    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.987141    3.977952   12.002083    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.976617    3.983649   14.066420    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.993329    6.033465   14.052409    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.976200    6.020283   16.044992    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.985641    3.995497   16.073019    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.940503    4.007130   18.018417    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.990446    6.062467   18.009884    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.991192    4.007806   19.869097    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.984331    0.020562   10.008776    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.981627    2.003461    9.929751    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.995599    1.984150   12.021917    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.968475    0.014705   12.026851    ( 0.0000,  0.0000,  0.0000)
  25 Pd     7.010348    0.021118   14.053383    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.997478    1.991366   14.041072    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.001661    1.993804   16.043344    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.983599    0.005243   16.025187    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.017717    0.003738   17.995761    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.985820    1.988859   17.979857    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.982617    3.986518    9.927659    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.962463    6.023287    9.900317    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.015638    6.035212   12.012272    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.986714    3.991547   12.017097    ( 0.0000,  0.0000,  0.0000)
  35 Au     7.014364    3.990972   14.037019    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.984959    6.028428   14.062715    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.009817    6.027140   16.062161    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.992263    4.006375   16.066366    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.046097    4.007610   18.009176    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.986286    6.032733   17.994051    ( 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 12:14:46  -121.745921  -2.31
iter:   2 12:15:37  -147.285424  -1.43  -1.96
iter:   3 12:16:34  -120.519145  -2.07  -1.53
iter:   4 12:17:28  -118.351093  -2.59  -2.12
iter:   5 12:18:19  -118.290868  -3.42  -2.76
iter:   6 12:19:12  -118.291654c -4.10  -2.93
iter:   7 12:20:18  -118.274593c -4.50  -2.95
iter:   8 12:21:11  -118.279398c -4.46  -3.20
iter:   9 12:21:59  -118.268337c -4.89  -3.13
iter:  10 12:22:48  -118.266061c -5.34  -3.47
iter:  11 12:23:38  -118.267267c -5.36  -3.63
iter:  12 12:24:32  -118.265427c -5.72  -3.77
iter:  13 12:25:24  -118.266420c -5.81  -3.62
iter:  14 12:26:17  -118.265457c -6.04  -4.00
iter:  15 12:27:09  -118.265896c -6.33  -4.07c
iter:  16 12:27:59  -118.265867c -6.81  -4.19c
iter:  17 12:28:52  -118.265846c -6.80  -4.28c
iter:  18 12:29:42  -118.265793c -7.07  -4.37c
iter:  19 12:30:33  -118.265697c -7.15  -4.51c
iter:  20 12:31:24  -118.265999c -7.54c -4.75c

Converged after 20 iterations.

Dipole moment: (-3.112165, -8.144321, 0.129141) |e|*Ang

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

Kinetic:       -205.203508
Potential:      +30.806655
External:        +0.000000
XC:             +60.066196
Entropy (-ST):   -2.228600
Local:           -2.821042
--------------------------
Free energy:   -119.380299
Extrapolated:  -118.265999

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.38252    1.41932
  0   304     -0.34754    1.26549
  0   305     -0.33972    1.22876
  0   306     -0.31470    1.10737

  1   303     -0.33491    1.20587
  1   304     -0.32440    1.15503
  1   305     -0.30384    1.05343
  1   306     -0.27620    0.91547


Fermi level: -0.29314

No gap

Forces in eV/Ang:
  0 Au    0.00206   -0.01781   -0.00876
  1 Pd    0.00142    0.00367    0.04526
  2 Pd   -0.00525   -0.00139    0.01722
  3 Pd   -0.00675   -0.02165    0.00952
  4 Pd   -0.00438   -0.00862   -0.00392
  5 Pd   -0.01263    0.02595   -0.01300
  6 Pd    0.01455    0.02215   -0.02062
  7 Pd    0.01919   -0.01073   -0.03786
  8 Pd   -0.02900   -0.01183    0.06480
  9 Pd    0.00771   -0.06760    0.00760
 10 Pd    0.00338    0.00720    0.02849
 11 Au   -0.00188   -0.00242    0.02144
 12 Au   -0.00158    0.00060   -0.02900
 13 Pd    0.01266    0.02364    0.01884
 14 Pd    0.01287    0.00799   -0.02267
 15 Au    0.01252   -0.02731   -0.02119
 16 Pd   -0.00294   -0.01796    0.00974
 17 Pd   -0.00744    0.00969    0.05903
 18 Pd   -0.06525    0.00835   -0.00674
 19 Pd   -0.00617    0.05513    0.00073
 20 Au    0.00819    0.01121   -0.05422
 21 Pd   -0.00787    0.00518    0.02763
 22 Au   -0.00094    0.00397   -0.00875
 23 Pd    0.00860    0.01557    0.01351
 24 Pd    0.00500   -0.00917   -0.01308
 25 Pd    0.00775   -0.03502   -0.03317
 26 Pd    0.01164    0.00820   -0.01455
 27 Pd   -0.01223   -0.00479    0.01799
 28 Pd   -0.01578   -0.02650   -0.03557
 29 Pd    0.03102   -0.00124    0.05193
 30 Pd   -0.00640   -0.02622    0.06918
 31 Au   -0.00260    0.00592    0.00847
 32 Au   -0.00213   -0.00095   -0.00280
 33 Pd    0.00349   -0.01501   -0.01170
 34 Pd   -0.01899    0.01195   -0.01958
 35 Au   -0.01189    0.02861   -0.01547
 36 Pd   -0.00830   -0.00479   -0.03182
 37 Pd    0.00325    0.00901   -0.00885
 38 Pd    0.01156    0.02029   -0.04061
 39 Pd    0.05521   -0.00235    0.01285
 40 Pd    0.00506    0.02941    0.04146

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     3.008622    0.036176    9.902593    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.991364    2.001417   10.023519    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.990257    2.008651   12.038903    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.008356    0.026242   12.022797    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.977995    0.025702   14.050294    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.979858    1.992640   14.054260    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.989669    2.004535   16.042296    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.995005    0.014439   16.067112    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.964533    0.004770   17.982687    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.993036    1.943810   18.023073    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.001053    3.980998   10.003860    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.012637    6.024981    9.909422    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.968127    6.010183   12.012948    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.989431    3.982712   12.005923    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.978311    3.985410   14.068084    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.994614    6.029796   14.052654    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.976730    6.017809   16.047805    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.985444    3.996487   16.086936    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.926001    4.007694   18.017491    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.989094    6.075497   18.008069    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.992052    4.008947   19.844987    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.982419    0.023341   10.013039    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.981485    2.003496    9.922298    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.998318    1.986657   12.025281    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.970852    0.013136   12.023331    ( 0.0000,  0.0000,  0.0000)
  25 Pd     7.011045    0.017513   14.053783    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.998973    1.992641   14.043137    ( 0.0000,  0.0000,  0.0000)
  27 Pd     6.999796    1.994239   16.048146    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.981761    0.002476   16.021088    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.024719    0.004292   18.002720    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.985308    1.982692   17.986951    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.981377    3.985676    9.923207    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.961569    6.024111    9.892472    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.017129    6.032213   12.010366    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.983464    3.993179   12.013117    ( 0.0000,  0.0000,  0.0000)
  35 Au     7.012503    3.994501   14.038621    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.984407    6.027382   14.062397    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.009356    6.027210   16.063735    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.993100    4.008451   16.063666    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.059135    4.006597   18.008995    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.987531    6.039301   17.999279    ( 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 12:32:40  -118.311519  -2.93
iter:   2 12:33:29  -118.290517  -3.64  -2.91
iter:   3 12:34:18  -118.287683c -4.26  -3.16
iter:   4 12:35:09  -118.278584c -4.60  -3.15
iter:   5 12:35:59  -118.280250c -4.90  -3.19
iter:   6 12:36:48  -118.276626c -5.08  -3.34
iter:   7 12:37:38  -118.275160c -5.29  -3.56
iter:   8 12:38:27  -118.274854c -5.68  -3.77
iter:   9 12:39:16  -118.274805c -5.91  -3.92
iter:  10 12:40:08  -118.274735c -6.04  -4.03c
iter:  11 12:41:01  -118.275119c -6.39  -4.06c
iter:  12 12:41:53  -118.273993c -6.53  -4.18c
iter:  13 12:42:46  -118.274698c -6.45  -3.88
iter:  14 12:43:29  -118.274756c -6.71  -4.44c
iter:  15 12:44:11  -118.274801c -7.04  -4.54c
iter:  16 12:45:00  -118.274766c -7.49c -4.56c

Converged after 16 iterations.

Dipole moment: (-2.952911, -7.502921, 0.126566) |e|*Ang

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

Kinetic:       -206.170854
Potential:      +31.627230
External:        +0.000000
XC:             +60.204563
Entropy (-ST):   -2.224828
Local:           -2.823291
--------------------------
Free energy:   -119.387180
Extrapolated:  -118.274766

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.38708    1.42237
  0   304     -0.35124    1.26490
  0   305     -0.34361    1.22912
  0   306     -0.31703    1.10000

  1   303     -0.33848    1.20466
  1   304     -0.32793    1.15362
  1   305     -0.30824    1.05634
  1   306     -0.27976    0.91419


Fermi level: -0.29696

No gap

Forces in eV/Ang:
  0 Au   -0.00088    0.00026    0.00161
  1 Pd   -0.00504    0.00315    0.04006
  2 Pd    0.00609    0.00667   -0.00297
  3 Pd    0.00800    0.00974    0.00735
  4 Pd   -0.00090   -0.00993   -0.00898
  5 Pd    0.00536    0.01238   -0.03134
  6 Pd   -0.01239   -0.01407   -0.00294
  7 Pd   -0.00130   -0.00648   -0.03258
  8 Pd   -0.01080   -0.00317    0.02993
  9 Pd   -0.00278   -0.02752    0.01084
 10 Pd    0.00273   -0.00145    0.00876
 11 Au    0.00501   -0.00615    0.01907
 12 Au   -0.00405   -0.00549    0.00424
 13 Pd   -0.00253   -0.00720   -0.00406
 14 Pd    0.00532    0.01048   -0.04024
 15 Au   -0.01192   -0.00979   -0.00988
 16 Pd   -0.00734    0.01124   -0.00401
 17 Pd    0.00176    0.00752    0.02956
 18 Pd   -0.02094    0.00044    0.01227
 19 Pd    0.00234    0.02292    0.01569
 20 Au    0.00325    0.01082    0.00135
 21 Pd   -0.00437   -0.00024    0.01745
 22 Au    0.00587    0.00065    0.01153
 23 Pd   -0.00543   -0.00451    0.01022
 24 Pd   -0.00831    0.00556   -0.00283
 25 Pd    0.00291   -0.00375   -0.05003
 26 Pd   -0.00804    0.00444   -0.02163
 27 Pd    0.01256   -0.00965   -0.01259
 28 Pd    0.00315    0.00153   -0.00615
 29 Pd    0.01386   -0.01168    0.03315
 30 Pd    0.00257   -0.01037    0.03116
 31 Au   -0.00427    0.00487    0.01168
 32 Au   -0.00659   -0.00171    0.00354
 33 Pd    0.00285    0.00739   -0.01764
 34 Pd    0.00062    0.00062   -0.00272
 35 Au    0.00197   -0.00875    0.00120
 36 Pd    0.00808   -0.00447   -0.04542
 37 Pd    0.01161    0.00995    0.00624
 38 Pd   -0.00259   -0.00038   -0.02624
 39 Pd    0.02744    0.00758    0.01531
 40 Pd   -0.00619    0.01117    0.02838

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 Au     3.008855    0.035718    9.900812    ( 0.0000,  0.0000,  0.0000)
   1 Pd     4.990733    2.001781   10.030216    ( 0.0000,  0.0000,  0.0000)
   2 Pd     2.989885    2.008582   12.039176    ( 0.0000,  0.0000,  0.0000)
   3 Pd     5.008015    0.025564   12.024435    ( 0.0000,  0.0000,  0.0000)
   4 Pd     2.978122    0.023698   14.049920    ( 0.0000,  0.0000,  0.0000)
   5 Pd     4.980514    1.995055   14.052111    ( 0.0000,  0.0000,  0.0000)
   6 Pd     2.988676    2.003387   16.042693    ( 0.0000,  0.0000,  0.0000)
   7 Pd     4.995371    0.013298   16.062518    ( 0.0000,  0.0000,  0.0000)
   8 Pd     2.961145    0.004306   17.987891    ( 0.0000,  0.0000,  0.0000)
   9 Pd     4.992847    1.935960   18.025020    ( 0.0000,  0.0000,  0.0000)
  10 Pd     3.001698    3.980642   10.006222    ( 0.0000,  0.0000,  0.0000)
  11 Au     5.013039    6.024534    9.911024    ( 0.0000,  0.0000,  0.0000)
  12 Au     2.967587    6.010584   12.011210    ( 0.0000,  0.0000,  0.0000)
  13 Pd     4.990097    3.983687   12.006526    ( 0.0000,  0.0000,  0.0000)
  14 Pd     2.979570    3.987440   14.064176    ( 0.0000,  0.0000,  0.0000)
  15 Au     4.993440    6.027420   14.051814    ( 0.0000,  0.0000,  0.0000)
  16 Pd     2.976152    6.018663   16.047913    ( 0.0000,  0.0000,  0.0000)
  17 Pd     4.985886    3.997767   16.094616    ( 0.0000,  0.0000,  0.0000)
  18 Pd     2.919063    4.007779   18.019008    ( 0.0000,  0.0000,  0.0000)
  19 Pd     4.989000    6.082339   18.009517    ( 0.0000,  0.0000,  0.0000)
  20 Au     4.992646    4.010593   19.837306    ( 0.0000,  0.0000,  0.0000)
  21 Pd     6.981351    0.024295   10.016253    ( 0.0000,  0.0000,  0.0000)
  22 Au     0.982162    2.003548    9.921533    ( 0.0000,  0.0000,  0.0000)
  23 Pd     6.998853    1.987251   12.027396    ( 0.0000,  0.0000,  0.0000)
  24 Pd     0.971145    0.013450   12.021318    ( 0.0000,  0.0000,  0.0000)
  25 Pd     7.011388    0.016221   14.048385    ( 0.0000,  0.0000,  0.0000)
  26 Pd     0.998131    1.993670   14.041472    ( 0.0000,  0.0000,  0.0000)
  27 Pd     7.000955    1.993336   16.047697    ( 0.0000,  0.0000,  0.0000)
  28 Pd     0.981764    0.002192   16.019298    ( 0.0000,  0.0000,  0.0000)
  29 Pd     7.028614    0.003002   18.008951    ( 0.0000,  0.0000,  0.0000)
  30 Pd     0.985598    1.979476   17.992586    ( 0.0000,  0.0000,  0.0000)
  31 Au     6.980541    3.985823    9.923315    ( 0.0000,  0.0000,  0.0000)
  32 Au     0.960679    6.024291    9.890397    ( 0.0000,  0.0000,  0.0000)
  33 Pd     7.017742    6.031853   12.007457    ( 0.0000,  0.0000,  0.0000)
  34 Pd     0.982246    3.993526   12.011216    ( 0.0000,  0.0000,  0.0000)
  35 Au     7.012019    3.994362   14.039791    ( 0.0000,  0.0000,  0.0000)
  36 Pd     0.985270    6.026363   14.057127    ( 0.0000,  0.0000,  0.0000)
  37 Pd     7.010513    6.028200   16.064901    ( 0.0000,  0.0000,  0.0000)
  38 Pd     0.992740    4.008768   16.059646    ( 0.0000,  0.0000,  0.0000)
  39 Pd     7.066579    4.007248   18.010764    ( 0.0000,  0.0000,  0.0000)
  40 Pd     0.987096    6.042709   18.004440    ( 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 12:46:17  -118.623934  -3.19
iter:   2 12:47:07  -124.673843  -2.25  -2.40
iter:   3 12:47:55  -118.572366  -2.77  -1.85
iter:   4 12:48:45  -118.300789  -3.46  -2.58
iter:   5 12:49:37  -118.279681c -4.18  -3.20
iter:   6 12:50:28  -118.279646c -5.07  -3.51
iter:   7 12:51:18  -118.277823c -5.29  -3.65
iter:   8 12:52:10  -118.277214c -5.68  -3.83
iter:   9 12:52:56  -118.277897c -6.03  -3.85
iter:  10 12:53:43  -118.277829c -6.35  -4.09c
iter:  11 12:54:34  -118.277907c -6.65  -4.17c
iter:  12 12:55:27  -118.278325c -6.62  -4.23c
iter:  13 12:56:18  -118.277962c -6.64  -4.25c
iter:  14 12:57:12  -118.278210c -7.06  -4.50c
iter:  15 12:58:04  -118.277836c -7.23  -4.52c
iter:  16 12:58:54  -118.277881c -7.47c -4.57c

Converged after 16 iterations.

Dipole moment: (-2.842604, -7.212628, 0.124654) |e|*Ang

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

Kinetic:       -206.375936
Potential:      +31.760958
External:        +0.000000
XC:             +60.267270
Entropy (-ST):   -2.223797
Local:           -2.818275
--------------------------
Free energy:   -119.389779
Extrapolated:  -118.277881

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   303     -0.38882    1.42481
  0   304     -0.35296    1.26758
  0   305     -0.34503    1.23038
  0   306     -0.31718    1.09508

  1   303     -0.33999    1.20640
  1   304     -0.32928    1.15461
  1   305     -0.31034    1.06110
  1   306     -0.28048    0.91210


Fermi level: -0.29811

No gap

Forces in eV/Ang:
  0 Au    0.00142    0.00205    0.00933
  1 Pd   -0.00216    0.00011    0.02021
  2 Pd    0.00134    0.00263   -0.00088
  3 Pd    0.00182    0.00687    0.00064
  4 Pd   -0.00528    0.00865   -0.01658
  5 Pd   -0.00516    0.00288   -0.00643
  6 Pd   -0.00379   -0.00214   -0.00582
  7 Pd    0.00398    0.00560   -0.00169
  8 Pd    0.00254   -0.00304    0.00389
  9 Pd    0.00169   -0.00745   -0.00344
 10 Pd    0.00062   -0.00111    0.00009
 11 Au    0.00143   -0.00149    0.01383
 12 Au   -0.00226   -0.00110   -0.00371
 13 Pd   -0.00007   -0.00435   -0.00653
 14 Pd   -0.00001   -0.00851   -0.00858
 15 Au    0.00456   -0.00582   -0.00270
 16 Pd   -0.01354    0.00284    0.00613
 17 Pd   -0.00395   -0.00473    0.01370
 18 Pd   -0.00603    0.00034    0.00036
 19 Pd    0.00122    0.01243    0.00618
 20 Au    0.00206    0.00500   -0.00421
 21 Pd   -0.00348    0.00346    0.00608
 22 Au    0.00041    0.00190    0.01584
 23 Pd   -0.00260   -0.00027   -0.00580
 24 Pd   -0.00155    0.00621   -0.00256
 25 Pd    0.00351   -0.00457   -0.01958
 26 Pd    0.00662   -0.00545   -0.01885
 27 Pd    0.00361   -0.01703    0.00406
 28 Pd   -0.00295   -0.00071   -0.00271
 29 Pd   -0.00110   -0.00267    0.00389
 30 Pd   -0.00104    0.00159    0.00258
 31 Au   -0.00025   -0.00408    0.00945
 32 Au   -0.00342   -0.00152    0.00526
 33 Pd   -0.00205    0.00078   -0.00516
 34 Pd    0.00197   -0.00241   -0.00344
 35 Au   -0.00242    0.00307   -0.00298
 36 Pd   -0.00192    0.00206   -0.02029
 37 Pd    0.01034    0.01191   -0.00119
 38 Pd    0.00993   -0.00030    0.00380
 39 Pd    0.01074    0.00038    0.00507
 40 Pd   -0.00035   -0.00183    0.00611

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:    26.344    26.343   0.4% |
 Symmetrize density:                         0.000     0.000   0.0% |
Forces:                                     97.568    97.568   1.4% ||
Hamiltonian:                                15.004     0.076   0.0% |
 Atomic:                                     3.946     2.960   0.0% |
  XC Correction:                             0.986     0.986   0.0% |
 Calculate atomic Hamiltonians:              7.428     7.428   0.1% |
 Communicate:                                0.002     0.002   0.0% |
 Initialize Hamiltonian:                     0.000     0.000   0.0% |
 Poisson:                                    0.056     0.056   0.0% |
 XC 3D grid:                                 3.496     3.496   0.0% |
LCAO initialization:                        69.716     0.379   0.0% |
 LCAO eigensolver:                           5.658     0.001   0.0% |
  Calculate projections:                     0.034     0.034   0.0% |
  DenseAtomicCorrection:                     0.034     0.034   0.0% |
  Distribute overlap matrix:                 0.006     0.006   0.0% |
  Orbital Layouts:                           0.282     0.282   0.0% |
  Potential matrix:                          5.271     5.271   0.1% |
  Sum over cells:                            0.031     0.031   0.0% |
 LCAO to grid:                              62.448    62.448   0.9% |
 Set positions (LCAO WFS):                   1.231     0.242   0.0% |
  Basic WFS set positions:                   0.002     0.002   0.0% |
  Basis functions set positions:             0.000     0.000   0.0% |
  P tci:                                     0.697     0.697   0.0% |
  ST tci:                                    0.227     0.227   0.0% |
  mktci:                                     0.063     0.063   0.0% |
PWDescriptor:                                0.472     0.472   0.0% |
Redistribute:                                0.046     0.046   0.0% |
SCF-cycle:                                6776.133   667.492   9.5% |---|
 Davidson:                                5256.786  1056.787  15.1% |-----|
  Apply H:                                 575.980   565.153   8.1% |--|
   HMM T:                                   10.827    10.827   0.2% |
  Subspace diag:                           915.396     0.038   0.0% |
   calc_h_matrix:                          676.437   124.819   1.8% ||
    Apply H:                               551.617   540.886   7.7% |--|
     HMM T:                                 10.731    10.731   0.2% |
   diagonalize:                             32.612    32.612   0.5% |
   rotate_psi:                             206.309   206.309   2.9% ||
  calc. matrices:                         1983.359   860.733  12.3% |----|
   Apply H:                               1122.626  1100.802  15.7% |-----|
    HMM T:                                  21.823    21.823   0.3% |
  diagonalize:                             370.377   370.377   5.3% |-|
  rotate_psi:                              354.888   354.888   5.1% |-|
 Density:                                  536.131     0.007   0.0% |
  Atomic density matrices:                   3.509     3.509   0.1% |
  Mix:                                     201.351   201.351   2.9% ||
  Multipole moments:                         0.109     0.109   0.0% |
  Pseudo density:                          331.155   331.148   4.7% |-|
   Symmetrize density:                       0.007     0.007   0.0% |
 Hamiltonian:                              296.330     1.618   0.0% |
  Atomic:                                   62.743    41.884   0.6% |
   XC Correction:                           20.859    20.859   0.3% |
  Calculate atomic Hamiltonians:           154.254   154.254   2.2% ||
  Communicate:                               0.128     0.128   0.0% |
  Poisson:                                   1.101     1.101   0.0% |
  XC 3D grid:                               76.485    76.485   1.1% |
 Orthonormalize:                            19.395     0.003   0.0% |
  calc_s_matrix:                             2.952     2.952   0.0% |
  inverse-cholesky:                          0.351     0.351   0.0% |
  projections:                              11.075    11.075   0.2% |
  rotate_psi_s:                              5.014     5.014   0.1% |
Set symmetry:                                0.002     0.002   0.0% |
Other:                                      32.165    32.165   0.5% |
-------------------------------------------------------------------
Total:                                              7017.450 100.0%

Memory usage: 1.01 GiB
Date: Mon Mar 27 12:59:11 2023
