
  ___ ___ ___ _ _ _  
 |   |   |_  | | | | 
 | | | | | . | | | | 
 |__ |  _|___|_____|  23.9.2b1
 |___|_|             

User:   aes38@compute-17
Date:   Fri Oct 20 15:00:51 2023
Arch:   x86_64
Pid:    279975
CWD:    /users/home/aes38/Rydberg/new/ammonia/pw
Python: 3.9.6
gpaw:   /users/home/aes38/gpaw/gpaw (f5d5d6d24c)
_gpaw:  /users/home/aes38/gpaw/build/lib.linux-x86_64-3.9/
        _gpaw.cpython-39-x86_64-linux-gnu.so (f5d5d6d24c)
ase:    /hpcapps/source/ase_dev/ase (version 3.23.0b1-d4c62f2276)
numpy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/numpy (version 1.22.4)
scipy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/scipy (version 1.8.1)
libxc:  5.1.6
units:  Angstrom and eV
cores: 48
OpenMP: False
OMP_NUM_THREADS: 1

Input parameters:
  basis: dzp
  eigensolver: {blocksize: 1,
                converge_unocc: True,
                excited_state: False,
                functional: {'name': 'ks'},
                grad_tol_inner_loop: 0.0005,
                grad_tol_pz_localization: 0.0005,
                linesearch_algo: {'name': 'max-step', 'max_step': 0.2},
                localization_tol: None,
                localizationseed: None,
                localizationtype: None,
                max_step_inner_loop: 0.2,
                maxiter_inner_loop: 100,
                maxiter_pz_localization: 50,
                maxiter_unocc: 333,
                momevery: 10,
                name: etdm-fdpw,
                need_init_orbs: True,
                need_localization: False,
                printinnerloop: False,
                restart_canonical: True,
                restartevery_iloop_notconverged: 3,
                searchdir_algo: {'name': 'l-bfgs', 'memory': 3},
                use_prec: True}
  h: 0.15
  maxiter: 1000
  mixer: {backend: no-mixing}
  mode: {ecut: 600.0,
         name: pw}
  nbands: -10
  occupations: {name: fixed-uniform}
  spinpol: True
  symmetry: off
  xc: PBE

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

Initialize ...

species:
  N:
    name: Nitrogen
    id: f7500608b86eaa90eef8b1d9a670dc53
    Z: 7.0
    valence: 5
    core: 2
    charge: 0.0
    file: /users/home/share/gpaw-setups-0.9.20000/N.PBE.gz
    compensation charges: {type: gauss,
                           rc: 0.18,
                           lmax: 2}
    cutoffs: {filter: 1.11,
              core: 0.96}
    valence states:
      #              energy  rcut
      - 2s(2.00)   -18.583   0.603
      - 2p(3.00)    -7.089   0.529
      -  s           8.629   0.603
      -  p          20.123   0.529
      -  d           0.000   0.577
  
    # LCAO basis set for N:
    #   Name: dzp
    #   File: /users/home/share/gpaw-setups-0.9.20000/N.dzp.basis.gz
    #   Number of radial functions: 5
    #   Number of spherical harmonics: 13
    #     l=0, rc=4.8594 Bohr: 2s-sz confined orbital
    #     l=1, rc=6.0625 Bohr: 2p-sz confined orbital
    #     l=0, rc=2.6094 Bohr: 2s-dz split-valence wave
    #     l=1, rc=3.2656 Bohr: 2p-dz split-valence wave
    #     l=2, rc=6.0625 Bohr: d-type Gaussian polarization
    #   Number of RI-basis functions 0

  H:
    name: Hydrogen
    id: d65de229564ff8ea4db303e23b6d1ecf
    Z: 1.0
    valence: 1
    core: 0
    charge: 0.0
    file: /users/home/share/gpaw-setups-0.9.20000/H.PBE.gz
    compensation charges: {type: gauss,
                           rc: 0.15,
                           lmax: 2}
    cutoffs: {filter: 0.85,
              core: 0.53}
    valence states:
      #              energy  rcut
      - 1s(1.00)    -6.494   0.476
      -  s          20.717   0.476
      -  p           0.000   0.476
  
    # LCAO basis set for H:
    #   Name: dzp
    #   File: /users/home/share/gpaw-setups-0.9.20000/H.dzp.basis.gz
    #   Number of radial functions: 3
    #   Number of spherical harmonics: 5
    #     l=0, rc=6.4219 Bohr: 1s-sz confined orbital
    #     l=0, rc=3.6094 Bohr: 1s-dz split-valence wave
    #     l=1, rc=6.4219 Bohr: p-type Gaussian polarization
    #   Number of RI-basis functions 0

Reference energy: -1519.191991  # eV

Spin-polarized calculation.
Magnetic moment: 0.000000

Convergence criteria:
 Maximum [total energy] change in last 3 cyles: 0.0005 eV / valence 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: 1000
 (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)

1 k-point (Gamma)
1 k-point in the irreducible part of the Brillouin zone
       k-points in crystal coordinates                weights
   0:     0.00000000    0.00000000    0.00000000          1/1

Wave functions: Plane wave expansion
  Cutoff energy: 600.000 eV
  Number of coefficients: 314827 (reduced to 157414)
  Pulay-stress correction: 0.000000 eV/Ang^3 (de/decut=0.000000)
  Using Numpy's FFT
  ScaLapack parameters: grid=1x1, blocksize=None
  Wavefunction extrapolation:
    Improved wavefunction reuse through dual PAW basis 

Occupation numbers: # Uniform distribution of occupation numbers 

Eigensolver
   Direct minimisation using exponential transformation.
       Search direction: L-BFGS algorithm
       Line search: step size equals one
       Preconditioning: True
       Orbital-density self-interaction corrections: ks
       WARNING: do not use it for metals as occupation numbers are
                not found variationally
 

Densities:
  Coarse grid: 147*144*140 grid
  Fine grid: 294*288*280 grid
  Total Charge: 0.000000 

Density mixing:
  Method: difference
  Backend: no-mixing
  Linear mixing parameter: 0
  old densities: 0
  Damping of long wavelength oscillations: 0 

Hamiltonian:
  XC and Coulomb potentials evaluated on a 294*288*280 grid
  Using the PBE Exchange-Correlation functional
  External potential:
    NoExternalPotential
 

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 1205.95 MiB
  Calculator: 103.52 MiB
    Density: 31.02 MiB
      Arrays: 16.72 MiB
      Localized functions: 14.31 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 12.77 MiB
      Arrays: 12.42 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.35 MiB
    Wavefunctions: 59.72 MiB
      Arrays psit_nG: 1.40 MiB
      Eigensolver: 0.25 MiB
      Projections: 0.00 MiB
      Projectors: 0.43 MiB
      PW-descriptor: 57.65 MiB

Total number of cores used: 48
Domain decomposition: 4 x 4 x 3

Number of atoms: 4
Number of atomic orbitals: 28
Number of bands in calculation: 14
Number of valence electrons: 8
Bands to converge: all

... initialized

Initializing position-dependent things.

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

              .----------------------------------------------------.  
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 |            |                   N                                |  
 |            |                 H   H                              |  
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 |            .----------------------------------------------------.  
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 *----------------------------------------------------*               

Positions:
   0 N     10.811924   10.468765   10.381028    ( 0.0000,  0.0000,  0.0000)
   1 H     10.811924   11.406294   10.000000    ( 0.0000,  0.0000,  0.0000)
   2 H     11.623849   10.000000   10.000000    ( 0.0000,  0.0000,  0.0000)
   3 H     10.000000   10.000000   10.000000    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    no    21.623849    0.000000    0.000000   147     0.1471
  2. axis:    no     0.000000   21.406294    0.000000   144     0.1487
  3. axis:    no     0.000000    0.000000   20.381028   140     0.1456

  Lengths:  21.623849  21.406294  20.381028
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1471

     iter     time        total  log10-change:  magmom
                         energy  eigst   dens
iter:   1 15:01:17   -18.862421  +0.50  -1.01    -0.0000
iter:   2 15:01:24   -19.189802  -0.14  -1.62    +0.0000
iter:   3 15:01:30   -19.336076  -0.34  -1.70    -0.0000
iter:   4 15:01:36   -19.387993  -0.81  -1.97    -0.0000
iter:   5 15:01:42   -19.404320  -1.37  -2.47    -0.0000
iter:   6 15:01:48   -19.409705  -1.80  -2.72    +0.0000
iter:   7 15:01:54   -19.412745  -2.10  -2.79    +0.0000
iter:   8 15:02:00   -19.413347c -2.46  -2.81    +0.0000
iter:   9 15:02:07   -19.413821c -3.27  -3.46    +0.0000
iter:  10 15:02:13   -19.413876c -3.67  -4.02c   -0.0000
iter:  11 15:02:19   -19.413931c -3.76  -3.72    +0.0000
iter:  12 15:02:25   -19.413947c -4.10  -3.65    -0.0000
iter:  13 15:02:31   -19.413955c -4.67  -4.55c   -0.0000
iter:  14 15:02:38   -19.413956c -4.92  -4.84c   -0.0000
iter:  15 15:02:44   -19.413958c -5.41  -4.52c   -0.0000
iter:  16 15:02:50   -19.413958c -5.73  -4.52c   -0.0000
iter:  17 15:02:56   -19.413958c -5.93  -5.30c   -0.0000
iter:  18 15:03:02   -19.413958c -6.40  -5.37c   +0.0000
iter:  19 15:03:08   -19.413958c -7.39  -5.40c   +0.0000
iter:  20 15:03:15   -19.413958c -7.75c -5.45c   +0.0000

Occupied states converged after 21 e/g evaluations
Converge unoccupied states:
                                   wfs    
           time        Energy:     error(ev^2):
iter:   1  15:03:16    2.739111     3.6e+01
iter:   2  15:03:16    2.350499     2.8e+01
iter:   3  15:03:17    2.025043     2.1e+01
iter:   4  15:03:17    1.744985     1.6e+01
iter:   5  15:03:18    1.506481     1.2e+01
iter:   6  15:03:19    1.304990     9.2e+00
iter:   7  15:03:19    1.134283     6.9e+00
iter:   8  15:03:20    0.989008     5.2e+00
iter:   9  15:03:20    0.864645     4.0e+00
iter:  10  15:03:21    0.757332     3.2e+00
iter:  11  15:03:21    0.663818     2.6e+00
iter:  12  15:03:22    0.581380     2.3e+00
iter:  13  15:03:22    0.507789     2.1e+00
iter:  14  15:03:23    0.441224     2.0e+00
iter:  15  15:03:24    0.380218     2.0e+00
iter:  16  15:03:24    0.323607     2.1e+00
iter:  17  15:03:25    0.270483     2.1e+00
iter:  18  15:03:25    0.220154     2.2e+00
iter:  19  15:03:26    0.172110     2.2e+00
iter:  20  15:03:26    0.125989     2.2e+00
iter:  21  15:03:27    0.081548     2.2e+00
iter:  22  15:03:27    0.038641     2.2e+00
iter:  23  15:03:28   -0.002808     2.2e+00
iter:  24  15:03:29   -0.042819     2.1e+00
iter:  25  15:03:29   -0.081375     2.1e+00
iter:  26  15:03:30   -0.118438     2.0e+00
iter:  27  15:03:30   -0.153953     1.9e+00
iter:  28  15:03:31   -0.187868     1.8e+00
iter:  29  15:03:31   -0.220132     1.7e+00
iter:  30  15:03:32   -0.250711     1.6e+00
iter:  31  15:03:32   -0.279587     1.4e+00
iter:  32  15:03:33   -0.306764     1.3e+00
iter:  33  15:03:34   -0.332267     1.3e+00
iter:  34  15:03:34   -0.356142     1.2e+00
iter:  35  15:03:35   -0.378452     1.1e+00
iter:  36  15:03:35   -0.399268     1.0e+00
iter:  37  15:03:36   -0.418658     9.5e-01
iter:  38  15:03:36   -0.436681     8.9e-01
iter:  39  15:03:37   -0.453382     8.4e-01
iter:  40  15:03:38   -0.468796     7.9e-01
iter:  41  15:03:38   -0.482962     7.6e-01
iter:  42  15:03:39   -0.495932     7.3e-01
iter:  43  15:03:39   -0.507782     7.1e-01
iter:  44  15:03:40   -0.518617     7.0e-01
iter:  45  15:03:40   -0.528577     6.9e-01
iter:  46  15:03:41   -0.537842     6.9e-01
iter:  47  15:03:41   -0.546638     6.9e-01
iter:  48  15:03:42   -0.555237     6.9e-01
iter:  49  15:03:43   -0.563962     7.0e-01
iter:  50  15:03:43   -0.573180     7.0e-01
iter:  51  15:03:44   -0.583297     7.1e-01
iter:  52  15:03:44   -0.594736     7.0e-01
iter:  53  15:03:45   -0.607927     7.0e-01
iter:  54  15:03:45   -0.623293     6.8e-01
iter:  55  15:03:46   -0.641237     6.6e-01
iter:  56  15:03:46   -0.662116     6.2e-01
iter:  57  15:03:47   -0.686145     5.8e-01
iter:  58  15:03:48   -0.713230     5.3e-01
iter:  59  15:03:48   -0.742729     4.8e-01
iter:  60  15:03:49   -0.773233     4.3e-01
iter:  61  15:03:49   -0.802711     3.8e-01
iter:  62  15:03:50   -0.829464     3.4e-01
iter:  63  15:03:50   -0.852726     3.1e-01
iter:  64  15:03:51   -0.872252     2.8e-01
iter:  65  15:03:52   -0.888024     2.6e-01
iter:  66  15:03:52   -0.900194     2.4e-01
iter:  67  15:03:53   -0.909109     2.3e-01
iter:  68  15:03:53   -0.915301     2.3e-01
iter:  69  15:03:54   -0.919542     2.3e-01
iter:  70  15:03:54   -0.923081     2.4e-01
iter:  71  15:03:55   -0.927774     2.4e-01
iter:  72  15:03:55   -0.935542     2.3e-01
iter:  73  15:03:56   -0.947060     2.1e-01
iter:  74  15:03:57   -0.960609     1.9e-01
iter:  75  15:03:57   -0.973407     1.6e-01
iter:  76  15:03:58   -0.983934     1.4e-01
iter:  77  15:03:58   -0.991630     1.2e-01
iter:  78  15:03:59   -0.996299     1.0e-01
iter:  79  15:03:59   -0.997891     9.2e-02
iter:  80  15:04:00   -0.996431     8.4e-02
iter:  81  15:04:00   -0.991997     7.9e-02
iter:  82  15:04:01   -0.984697     7.9e-02
iter:  83  15:04:02   -0.974669     8.2e-02
iter:  84  15:04:02   -0.962106     8.9e-02
iter:  85  15:04:03   -0.947339     9.7e-02
iter:  86  15:04:03   -0.931023     1.1e-01
iter:  87  15:04:04   -0.914702     1.1e-01
iter:  88  15:04:04   -0.902709     1.2e-01
iter:  89  15:04:05   -0.904563     1.0e-01
iter:  90  15:04:06   -0.918701     7.5e-02
iter:  91  15:04:06   -0.936152     5.0e-02
iter:  92  15:04:07   -0.952352     2.8e-02
iter:  93  15:04:07   -0.963126     1.4e-02
iter:  94  15:04:08   -0.967039     8.3e-03
iter:  95  15:04:08   -0.965078     9.2e-03
iter:  96  15:04:09   -0.960599     1.1e-02
iter:  97  15:04:09   -0.955257     1.2e-02
iter:  98  15:04:10   -0.948917     1.1e-02
iter:  99  15:04:11   -0.941897     8.4e-03
iter: 100  15:04:11   -0.933361     5.2e-03
iter: 101  15:04:12   -0.924679     2.7e-03
iter: 102  15:04:12   -0.915220     2.6e-03
iter: 103  15:04:13   -0.915492     2.6e-03
iter: 104  15:04:13   -0.917850     2.2e-03
iter: 105  15:04:14   -0.921499     1.3e-03
iter: 106  15:04:15   -0.924116     1.8e-03
iter: 107  15:04:15   -0.924110     7.0e-04
iter: 108  15:04:16   -0.924250     5.4e-04
iter: 109  15:04:16   -0.924747     5.7e-04
iter: 110  15:04:17   -0.925241     6.4e-04
iter: 111  15:04:17   -0.926067     1.6e-03
iter: 112  15:04:18   -0.926352     9.3e-04
iter: 113  15:04:18   -0.926645     5.4e-04
iter: 114  15:04:19   -0.926745     6.9e-04
iter: 115  15:04:20   -0.926423     1.2e-03
iter: 116  15:04:20   -0.926655     5.8e-04
iter: 117  15:04:21   -0.926728     4.2e-04

Unoccupied orbitals converged after 117 iterations

Converged after 20 iterations.

Dipole moment: (0.000000, -0.000031, -0.306010) |e|*Ang

Total magnetic moment: (0.000000, 0.000000, -0.000000)
Local magnetic moments:
   0 N  ( 0.000000,  0.000000,  0.000000)
   1 H  ( 0.000000,  0.000000, -0.000000)
   2 H  ( 0.000000,  0.000000, -0.000000)
   3 H  ( 0.000000,  0.000000, -0.000000)

Energy contributions relative to reference atoms: (reference = -1519.191991)

Kinetic:        +18.860379
Potential:      -21.128466
External:        +0.000000
XC:             -17.147223
Entropy (-ST):   +0.000000
Local:           +0.001352
SIC:             +0.000000
--------------------------
Free energy:    -19.413958
Extrapolated:   -19.413958

Spin contamination: 0.000000 electrons
                   Up                     Down
 Band  Eigenvalues  Occupancy  Eigenvalues  Occupancy
    0    -21.23453    1.00000    -21.23453    1.00000
    1    -11.30122    1.00000    -11.30122    1.00000
    2    -11.30116    1.00000    -11.30116    1.00000
    3     -6.16698    1.00000     -6.16698    1.00000
    4     -0.73366    0.00000     -0.73366    0.00000
    5     -0.01967    0.00000     -0.01967    0.00000
    6      0.19983    0.00000      0.19983    0.00000
    7      0.20279    0.00000      0.20279    0.00000
    8      0.25648    0.00000      0.25648    0.00000
    9      0.26421    0.00000      0.26421    0.00000
   10      0.29100    0.00000      0.29100    0.00000
   11      0.46030    0.00000      0.46030    0.00000
   12      0.46639    0.00000      0.46639    0.00000
   13      0.58124    0.00000      0.58124    0.00000

Fermi level: -4.90794

Gap: 5.433 eV
Transition (v -> c):
  (s=1, k=0, n=3, [0.00, 0.00, 0.00]) -> (s=0, k=0, n=4, [0.00, 0.00, 0.00])
Writing to ground.gpw (mode='all')

Timing:                               incl.     excl.
------------------------------------------------------------
Hamiltonian:                          2.783     0.165   0.1% |
 Atomic:                              0.000     0.000   0.0% |
  XC Correction:                      0.000     0.000   0.0% |
 Calculate atomic Hamiltonians:       0.072     0.072   0.0% |
 Communicate:                         0.045     0.045   0.0% |
 Initialize Hamiltonian:              0.001     0.001   0.0% |
 Poisson:                             0.006     0.006   0.0% |
 XC 3D grid:                          2.493     2.493   1.1% |
LCAO initialization:                  2.695     0.167   0.1% |
 LCAO eigensolver:                    0.017     0.000   0.0% |
  Calculate projections:              0.000     0.000   0.0% |
  DenseAtomicCorrection:              0.000     0.000   0.0% |
  Distribute overlap matrix:          0.014     0.014   0.0% |
  Orbital Layouts:                    0.002     0.002   0.0% |
  Potential matrix:                   0.000     0.000   0.0% |
 LCAO to grid:                        2.507     2.507   1.2% |
 Set positions (LCAO WFS):            0.003     0.000   0.0% |
  Basic WFS set positions:            0.000     0.000   0.0% |
  Basis functions set positions:      0.000     0.000   0.0% |
  P tci:                              0.000     0.000   0.0% |
  ST tci:                             0.001     0.001   0.0% |
  mktci:                              0.002     0.002   0.0% |
PWDescriptor:                         0.292     0.292   0.1% |
SCF-cycle:                          202.808     0.057   0.0% |
 Apply H:                             1.045     1.043   0.5% |
  HMM T:                              0.002     0.002   0.0% |
 Density:                             2.783     0.000   0.0% |
  Atomic density matrices:            0.002     0.002   0.0% |
  Mix:                                2.347     2.347   1.1% |
  Multipole moments:                  0.002     0.002   0.0% |
  Pseudo density:                     0.432     0.432   0.2% |
   Symmetrize density:                0.000     0.000   0.0% |
 Direct Minimisation step:          195.552     0.704   0.3% |
  Apply H:                           11.304    11.279   5.2% |-|
   HMM T:                             0.025     0.025   0.0% |
  Density:                           57.990     0.001   0.0% |
   Atomic density matrices:           0.024     0.024   0.0% |
   Mix:                              48.862    48.862  22.5% |--------|
   Multipole moments:                 0.029     0.029   0.0% |
   Pseudo density:                    9.075     9.074   4.2% |-|
    Symmetrize density:               0.001     0.001   0.0% |
  Get Search Direction:               3.891     3.891   1.8% ||
  Gradient unoccupied orbitals:      62.473     2.299   1.1% |
   Apply H:                          59.462    59.366  27.3% |----------|
    HMM T:                            0.096     0.096   0.0% |
   Orthonormalize:                    0.712     0.024   0.0% |
    calc_s_matrix:                    0.090     0.090   0.0% |
    inverse-cholesky:                 0.037     0.037   0.0% |
    projections:                      0.457     0.457   0.2% |
    rotate_psi_s:                     0.103     0.103   0.0% |
  Hamiltonian:                       58.977     3.314   1.5% ||
   Atomic:                            0.005     0.005   0.0% |
    XC Correction:                    0.000     0.000   0.0% |
   Calculate atomic Hamiltonians:     1.516     1.516   0.7% |
   Communicate:                       0.973     0.973   0.4% |
   New Kinetic Energy:                0.016     0.016   0.0% |
   Poisson:                           0.092     0.092   0.0% |
   XC 3D grid:                       53.060    53.060  24.4% |---------|
  Orthonormalize:                     0.145     0.005   0.0% |
   Orthonormalize:                    0.016     0.000   0.0% |
    calc_s_matrix:                    0.001     0.001   0.0% |
    inverse-cholesky:                 0.009     0.009   0.0% |
    projections:                      0.004     0.004   0.0% |
    rotate_psi_s:                     0.001     0.001   0.0% |
   calc_s_matrix:                     0.016     0.016   0.0% |
   inverse-cholesky:                  0.007     0.007   0.0% |
   projections:                       0.084     0.084   0.0% |
   rotate_psi_s:                      0.016     0.016   0.0% |
  projections:                        0.069     0.069   0.0% |
 Hamiltonian:                         2.817     0.159   0.1% |
  Atomic:                             0.000     0.000   0.0% |
   XC Correction:                     0.000     0.000   0.0% |
  Calculate atomic Hamiltonians:      0.069     0.069   0.0% |
  Communicate:                        0.046     0.046   0.0% |
  New Kinetic Energy:                 0.001     0.001   0.0% |
  Poisson:                            0.004     0.004   0.0% |
  XC 3D grid:                         2.537     2.537   1.2% |
 Subspace diag:                       0.551     0.000   0.0% |
  calc_h_matrix:                      0.547     0.002   0.0% |
   Apply H:                           0.546     0.545   0.3% |
    HMM T:                            0.001     0.001   0.0% |
  diagonalize:                        0.003     0.003   0.0% |
  rotate_psi:                         0.001     0.001   0.0% |
 projections:                         0.003     0.003   0.0% |
Set symmetry:                         0.000     0.000   0.0% |
Other:                                8.594     8.594   4.0% |-|
------------------------------------------------------------
Total:                                        217.172 100.0%

Memory usage: 1.57 GiB
Date: Fri Oct 20 15:04:28 2023
