
  ___ ___ ___ _ _ _  
 |   |   |_  | | | | 
 | | | | | . | | | | 
 |__ |  _|___|_____|  23.6.2b1
 |___|_|             

User:   aes38@compute-50
Date:   Tue Aug 22 17:07:37 2023
Arch:   x86_64
Pid:    456915
CWD:    /users/home/aes38/Rydberg/new/ammonia/tests/siclcao
Python: 3.9.6
gpaw:   /users/home/aes38/new-gmf-gpaw/build/lib.linux-x86_64-3.9/gpaw
_gpaw:  /users/home/aes38/new-gmf-gpaw/build/lib.linux-x86_64-3.9/
        _gpaw.cpython-39-x86_64-linux-gnu.so (cebd99ec5b)
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: 16
OpenMP: False
OMP_NUM_THREADS: 1

Reading from /users/home/aes38/Rydberg/new/ammonia/complex/fd/ground.gpw
Read dipole, energy, free_energy, magmom, magmoms
Reading input parameters:
  basis: aug-cc-pVDZ_PBE.sz
  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: False,
                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: {force_complex_dtype: True,
         interpolation: 3,
         name: fd,
         nn: 3}
  nbands: -10
  occupations: {name: fixed-uniform}
  spinpol: True
  symmetry: off
  xc: PBE

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: aug-cc-pVDZ_PBE.sz
    #   File: /users/home/aes38/basissets/N.aug-cc-pVDZ_PBE.sz.basis
    #   Number of radial functions: 8
    #   Number of spherical harmonics: 22
    #     l=0, rc=4.8594 Bohr: 2s-sz confined orbital
    #     l=1, rc=6.0625 Bohr: 2p-sz confined orbital
    #     l=0, rc=6.4844 Bohr: NGTO(s,0.2248000)
    #     l=0, rc=11.6406 Bohr: NGTO(s,0.0612400)
    #     l=1, rc=6.5625 Bohr: NGTO(p,0.2185000)
    #     l=1, rc=12.0625 Bohr: NGTO(p,0.0561100)
    #     l=2, rc=3.7344 Bohr: NGTO(d,0.8170000)
    #     l=2, rc=6.6562 Bohr: NGTO(d,0.2300000)
    #   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: aug-cc-pVDZ_PBE.sz
    #   File: /users/home/aes38/basissets/H.aug-cc-pVDZ_PBE.sz.basis
    #   Number of radial functions: 5
    #   Number of spherical harmonics: 9
    #     l=0, rc=6.6406 Bohr: 1s-sz confined orbital
    #     l=0, rc=8.5469 Bohr: NGTO(s,0.1220000)
    #     l=0, rc=16.0469 Bohr: NGTO(s,0.0297400)
    #     l=1, rc=3.7969 Bohr: NGTO(p,0.7270000)
    #     l=1, rc=7.9844 Bohr: NGTO(p,0.1410000)
    #   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: Uniform real-space grid
  Kinetic energy operator: 6*3+1=19 point O(h^6) finite-difference Laplacian
  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: 144*144*136 grid
  Fine grid: 288*288*272 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 288*288*272 grid
  Using the PBE Exchange-Correlation functional
  Interpolation: tri-quintic (5. degree polynomial)
  Poisson solver: FastPoissonSolver using
    Stencil: 6*3+1=19 point O(h^6) finite-difference Laplacian
    FFT axes: []
    FST axes: [2, 0, 1]
 

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 336.62 MiB
  Calculator: 163.61 MiB
    Density: 45.83 MiB
      Arrays: 45.64 MiB
      Localized functions: 0.19 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 33.93 MiB
      Arrays: 33.91 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.02 MiB
    Wavefunctions: 83.85 MiB
      Arrays psit_nG: 71.13 MiB
      Eigensolver: 12.70 MiB
      Projections: 0.00 MiB
      Projectors: 0.02 MiB

Total number of cores used: 16
Domain decomposition: 2 x 4 x 2

Number of atoms: 4
Number of atomic orbitals: 49
Number of bands in calculation: 14
Number of valence electrons: 8
Bands to converge: occupied

... initialized

Input parameters:
  convergence: {eigenstates: 1e-06}
  eigensolver: {blocksize: 1,
                converge_unocc: True,
                excited_state: True,
                functional: {'name': 'PZ-SIC'},
                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: False,
                need_localization: False,
                printinnerloop: True,
                restart_canonical: True,
                restartevery_iloop_notconverged: 3,
                searchdir_algo: {'name': 'l-bfgs', 'memory': 3},
                use_prec: True}

Input parameters:
  occupations: {name: mom,
                numbers: [[1. 1. 1. ... 0. 0. 0.]
 [1. 1. 1. ... 0. 0. 0.]],
                update_numbers: True,
                use_fixed_occupations: False,
                use_projections: True}

Excited-state calculation with Maximum Overlap Method
  Gaussian smearing of holes and excited electrons: off

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: aug-cc-pVDZ_PBE.sz
    #   File: /users/home/aes38/basissets/N.aug-cc-pVDZ_PBE.sz.basis
    #   Number of radial functions: 8
    #   Number of spherical harmonics: 22
    #     l=0, rc=4.8594 Bohr: 2s-sz confined orbital
    #     l=1, rc=6.0625 Bohr: 2p-sz confined orbital
    #     l=0, rc=6.4844 Bohr: NGTO(s,0.2248000)
    #     l=0, rc=11.6406 Bohr: NGTO(s,0.0612400)
    #     l=1, rc=6.5625 Bohr: NGTO(p,0.2185000)
    #     l=1, rc=12.0625 Bohr: NGTO(p,0.0561100)
    #     l=2, rc=3.7344 Bohr: NGTO(d,0.8170000)
    #     l=2, rc=6.6562 Bohr: NGTO(d,0.2300000)
    #   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: aug-cc-pVDZ_PBE.sz
    #   File: /users/home/aes38/basissets/H.aug-cc-pVDZ_PBE.sz.basis
    #   Number of radial functions: 5
    #   Number of spherical harmonics: 9
    #     l=0, rc=6.6406 Bohr: 1s-sz confined orbital
    #     l=0, rc=8.5469 Bohr: NGTO(s,0.1220000)
    #     l=0, rc=16.0469 Bohr: NGTO(s,0.0297400)
    #     l=1, rc=3.7969 Bohr: NGTO(p,0.7270000)
    #     l=1, rc=7.9844 Bohr: NGTO(p,0.1410000)
    #   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: 1e-06 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.)

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

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

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 923.91 MiB
  Calculator: 163.61 MiB
    Density: 45.83 MiB
      Arrays: 45.64 MiB
      Localized functions: 0.19 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 33.93 MiB
      Arrays: 33.91 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.02 MiB
    Wavefunctions: 83.85 MiB
      Arrays psit_nG: 71.13 MiB
      Eigensolver: 12.70 MiB
      Projections: 0.00 MiB
      Projectors: 0.02 MiB

Total number of cores used: 16
Domain decomposition: 2 x 4 x 2

Number of atoms: 4
Number of atomic orbitals: 49
Number of bands in calculation: 14
Number of valence electrons: 8
Bands to converge: occupied

... initialized

Initializing position-dependent things.

Density initialized from wave functions
              .----------------------------------------------------.  
             /|                                                    |  
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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   144     0.1502
  2. axis:    no     0.000000   21.406294    0.000000   144     0.1487
  3. axis:    no     0.000000    0.000000   20.381028   136     0.1499

  Lengths:  21.623849  21.406294  20.381028
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1496

     iter     time        total  log10-change:  magmom
                         energy  eigst   dens
iter:   1 17:11:08    -7.849037  +0.61  -3.93    -0.0000
iter:   2 17:12:50    -8.289484  +0.77  -5.38c   -0.0000
iter:   3 17:19:02    -8.646082  +1.38  -2.59    -0.0000
iter:   4 17:24:35    -8.862691  +1.60  -2.94    +0.0000
iter:   5 17:27:18    -8.362021  +2.40  -5.12c   +0.0000
iter:   6 17:29:44    -9.101097  +1.04  -4.04c   +0.0000
iter:   7 17:32:10    -9.141634  +0.94  -5.11c   +0.0000
iter:   8 17:34:08    -9.125324  +1.41  -3.75    +0.0000
iter:   9 17:36:04    -8.920572  +2.02  -3.55    +0.0000
iter:  10 17:37:48    -9.217149  +0.64  -4.19c   +0.0000
iter:  11 17:39:43    -9.229375  +0.51  -5.54c   +0.0000
iter:  12 17:42:05    -9.231852  +0.64  -4.09c   +0.0000
iter:  13 17:43:50    -8.959761  +2.00  -5.70c   +0.0000
iter:  14 17:45:45    -9.247922  +0.06  -4.90c   +0.0000
iter:  15 17:47:29    -9.252487  -1.37  -5.28c   +0.0000
iter:  16 17:48:44    -9.251021  +0.03  -5.69c   +0.0000
iter:  17 17:50:45    -9.242580  +0.64  -5.26c   +0.0000
iter:  18 17:53:09    -9.254571  -0.50  -4.34c   +0.0000
iter:  19 17:54:14    -9.255722  -1.00  -4.69c   +0.0000
iter:  20 17:55:37    -9.255440c -0.45  -4.71c   +0.0000
iter:  21 17:57:32    -9.247433  +0.51  -4.18c   +0.0000
iter:  22 17:58:26    -9.256231  -0.59  -5.08c   +0.0000
iter:  23 17:59:29    -9.257042  -1.35  -5.02c   +0.0000
iter:  24 18:00:52    -9.256767c -0.75  -4.20c   +0.0000
iter:  25 18:02:01    -9.255649c -0.20  -5.64c   +0.0000
iter:  26 18:03:57    -9.254363c +0.08  -4.52c   +0.0000
iter:  27 18:04:37    -9.257618c -1.57  -4.47c   +0.0000
iter:  28 18:05:31    -9.257712c -1.70  -5.03c   +0.0000
iter:  29 18:06:48    -9.257691c -1.17  -5.23c   +0.0000
iter:  30 18:07:47    -9.256274c -0.26  -5.55c   -0.0000
iter:  31 18:08:32    -9.257842c -1.76  -4.57c   -0.0000
iter:  32 18:08:46    -9.257901c -2.99  -5.35c   +0.0000
iter:  33 18:09:37    -9.257902c -2.42  -4.95c   +0.0000
iter:  34 18:10:28    -9.257881c -1.93  -4.96c   -0.0000
iter:  35 18:11:23    -9.257909c -2.70  -4.72c   -0.0000
iter:  36 18:11:31    -9.257915c -3.64  -4.49c   -0.0000
iter:  37 18:11:39    -9.257914c -3.56  -4.22c   -0.0000
iter:  38 18:11:50    -9.257903c -2.37  -5.08c   -0.0000
iter:  39 18:12:32    -9.257914c -3.24  -4.91c   -0.0000
iter:  40 18:12:40    -9.257915c -3.89  -4.68c   -0.0000
iter:  41 18:12:47    -9.257915c -3.68  -4.79c   -0.0000
iter:  42 18:13:20    -9.257908c -2.58  -3.92    -0.0000
iter:  43 18:13:27    -9.257915c -3.77  -4.80c   +0.0000
iter:  44 18:13:35    -9.257915c -4.74  -5.26c   +0.0000
iter:  45 18:13:52    -9.257915c -4.21  -5.11c   +0.0000
iter:  46 18:14:00    -9.257915c -4.33  -4.80c   +0.0000
iter:  47 18:14:08    -9.257914c -3.30  -4.62c   +0.0000
iter:  48 18:14:15    -9.257915c -4.68  -5.11c   +0.0000
iter:  49 18:14:23    -9.257915c -5.19  -5.21c   +0.0000
iter:  50 18:14:40    -9.257915c -4.66  -5.10c   +0.0000
iter:  51 18:14:57    -9.257915c -4.59  -5.33c   +0.0000
iter:  52 18:15:05    -9.257915c -4.44  -4.95c   +0.0000
iter:  53 18:15:12    -9.257915c -4.84  -5.39c   +0.0000
iter:  54 18:15:20    -9.257915c -5.00  -5.45c   +0.0000
iter:  55 18:15:37    -9.257915c -4.86  -5.47c   +0.0000
iter:  56 18:15:45    -9.257915c -4.19  -5.05c   +0.0000
iter:  57 18:15:52    -9.257916c -4.79  -5.32c   +0.0000
iter:  58 18:16:00    -9.257916c -5.21  -4.92c   +0.0000
iter:  59 18:16:20    -9.257916c -4.47  -5.40c   +0.0000
iter:  60 18:16:28    -9.257916c -4.53  -4.86c   +0.0000
iter:  61 18:17:32    -9.257916c -4.23  -4.70c   +0.0000
iter:  62 18:18:20    -9.257914c -3.07  -4.47c   +0.0000
iter:  63 18:18:40    -9.257916c -4.47  -5.07c   +0.0000
iter:  64 18:19:37    -9.257915c -4.16  -5.21c   +0.0000
iter:  65 18:19:57    -9.257915c -3.82  -5.16c   +0.0000
iter:  66 18:20:54    -9.257915c -3.33  -4.98c   +0.0000
iter:  67 18:21:39    -9.257916c -4.52  -4.74c   +0.0000
iter:  68 18:22:32    -9.257916c -5.53  -4.56c   +0.0000
iter:  69 18:23:35    -9.257914c -4.47  -5.42c   +0.0000
iter:  70 18:23:55    -9.257915c -4.32  -4.98c   +0.0000
iter:  71 18:25:14    -9.257913c -3.00  -4.99c   +0.0000
iter:  72 18:26:21    -9.257915c -3.55  -5.94c   +0.0000
iter:  73 18:26:41    -9.257915c -3.75  -5.17c   +0.0000
iter:  74 18:26:49    -9.257915c -4.89  -5.04c   +0.0000
iter:  75 18:26:56    -9.257915c -5.00  -4.79c   +0.0000
iter:  76 18:27:41    -9.257914c -3.58  -5.30c   +0.0000
iter:  77 18:28:17    -9.257915c -4.11  -4.75c   +0.0000
iter:  78 18:28:37    -9.257915c -4.42  -5.23c   +0.0000
iter:  79 18:28:44    -9.257916c -5.70  -4.83c   +0.0000
iter:  80 18:29:04    -9.257916c -4.83  -5.32c   +0.0000
iter:  81 18:29:12    -9.257916c -5.24  -5.61c   +0.0000
iter:  82 18:29:20    -9.257916c -5.49  -5.19c   +0.0000
iter:  83 18:29:43    -9.257916c -4.52  -5.22c   +0.0000
iter:  84 18:30:09    -9.257915c -3.79  -4.72c   +0.0000
iter:  85 18:30:17    -9.257916c -4.58  -5.18c   +0.0000
iter:  86 18:30:24    -9.257916c -5.04  -5.18c   +0.0000
iter:  87 18:31:11    -9.257916c -4.84  -5.34c   +0.0000
iter:  88 18:31:19    -9.257916c -4.15  -4.91c   +0.0000
iter:  89 18:31:39    -9.257916c -5.49  -5.25c   +0.0000
iter:  90 18:31:46    -9.257916c -5.78  -5.62c   +0.0000
iter:  91 18:32:14    -9.257916c -4.88  -4.97c   +0.0000
iter:  92 18:32:21    -9.257916c -4.97  -5.09c   +0.0000
iter:  93 18:32:38    -9.257916c -4.25  -5.14c   +0.0000
iter:  94 18:32:46    -9.257916c -4.89  -5.24c   +0.0000
iter:  95 18:33:18    -9.257916c -4.30  -5.46c   +0.0000
iter:  96 18:33:26    -9.257916c -5.68  -4.91c   +0.0000
iter:  97 18:33:55    -9.257916c -4.81  -5.39c   +0.0000
iter:  98 18:34:03    -9.257916c -6.30c -5.02c   +0.0000

Occupied states converged after 1453 KS and 1700 SIC e/g evaluations
Converge unoccupied states:
                                   wfs    
           time        Energy:     error(ev^2):
iter:   1  18:34:04  -14.776898     6.0e+00
iter:   2  18:34:06  -14.802804     1.0e+01
iter:   3  18:34:07  -14.814194     3.4e+01
iter:   4  18:34:09  -14.819517     6.5e+01
iter:   5  18:34:11  -14.764556     2.3e+02
iter:   6  18:34:12  -14.832452     5.1e+01
iter:   7  18:34:14  -14.799207     1.5e+02
iter:   8  18:34:15  -14.775839     2.1e+02
iter:   9  18:34:17  -14.852781     1.1e+01
iter:  10  18:34:18  -14.770054     2.3e+02
iter:  11  18:34:20  -14.833228     5.9e+01
iter:  12  18:34:21  -14.839487     4.7e+01
iter:  13  18:34:23  -14.816689     1.0e+02
iter:  14  18:34:24  -14.836638     4.8e+01
iter:  15  18:34:26  -14.816829     1.0e+02
iter:  16  18:34:28  -14.841840     2.7e+01
iter:  17  18:34:29  -14.801042     1.4e+02
iter:  18  18:34:31  -14.838691     2.5e+01
iter:  19  18:34:32  -14.677579     4.8e+02
iter:  20  18:34:34  -14.821862     5.8e+01
iter:  21  18:34:35  -14.790019     1.5e+02
iter:  22  18:34:37  -14.824002     5.5e+01
iter:  23  18:34:39  -14.842491     7.2e+00
iter:  24  18:34:40  -14.840665     1.3e+01
iter:  25  18:34:42  -14.837612     2.4e+01
iter:  26  18:34:43  -14.842145     9.3e+00
iter:  27  18:34:45  -14.742849     2.9e+02
iter:  28  18:34:47  -14.827203     4.1e+01
iter:  29  18:34:48  -14.840363     1.7e+00
iter:  30  18:34:50  -14.839344     3.1e+00
iter:  31  18:34:51  -14.814781     7.1e+01
iter:  32  18:34:53  -14.828319     2.0e+01
iter:  33  18:34:54  -14.804829     8.2e+01
iter:  34  18:34:56  -14.811077     5.4e+01
iter:  35  18:34:57  -14.739963     2.4e+02
iter:  36  18:34:59  -14.777094     1.3e+02
iter:  37  18:35:01  -14.783880     1.1e+02
iter:  38  18:35:02  -14.814373     1.6e+01
iter:  39  18:35:04  -14.789535     8.7e+01
iter:  40  18:35:05  -14.644248     4.7e+02
iter:  41  18:35:07  -14.808389     3.3e+01
iter:  42  18:35:08  -14.820173     2.9e+00
iter:  43  18:35:10  -14.820394     2.0e-01
iter:  44  18:35:11  -14.763470     1.3e+02
iter:  45  18:35:13  -14.792633     4.6e+01
iter:  46  18:35:14  -14.756586     1.4e+02
iter:  47  18:35:16  -14.803455     5.3e+00
iter:  48  18:35:18  -14.805370     6.3e-01
iter:  49  18:35:19  -14.797404     2.0e+01
iter:  50  18:35:21  -14.794998     1.9e+01
iter:  51  18:35:22  -14.775391     5.6e+01
iter:  52  18:35:24  -14.794395     9.9e+00
iter:  53  18:35:25  -14.797786     2.0e+00
iter:  54  18:35:27  -14.797706     1.9e+00
iter:  55  18:35:28  -14.782045     4.4e+01
iter:  56  18:35:30  -14.795259     9.4e+00
iter:  57  18:35:32  -14.792220     1.3e+01
iter:  58  18:35:33  -14.786149     2.3e+01
iter:  59  18:35:35  -14.786711     1.7e+01
iter:  60  18:35:36  -14.776813     3.6e+01
iter:  61  18:35:38  -14.781866     2.0e+01
iter:  62  18:35:39  -14.786801     5.4e+00
iter:  63  18:35:41  -14.778206     2.6e+01
iter:  64  18:35:42  -14.787138     2.1e+00
iter:  65  18:35:44  -14.787237     2.4e+00
iter:  66  18:35:46  -14.778844     2.4e+01
iter:  67  18:35:47  -14.787274     2.7e-01
iter:  68  18:35:49  -14.787060     1.3e+00
iter:  69  18:35:50  -14.784730     6.3e+00
iter:  70  18:35:52  -14.757056     8.4e+01
iter:  71  18:35:53  -14.784134     4.0e+00
iter:  72  18:35:55  -14.785344     2.4e-01
iter:  73  18:35:56  -14.781883     7.6e+00
iter:  74  18:35:58  -14.780586     6.8e+00
iter:  75  18:36:00  -14.754483     6.6e+01
iter:  76  18:36:01  -14.779583     1.1e+00
iter:  77  18:36:03  -14.780230     1.7e-01
iter:  78  18:36:04  -14.779687     1.0e+00
iter:  79  18:36:06  -14.774805     1.2e+01
iter:  80  18:36:07  -14.778810     6.5e-01
iter:  81  18:36:09  -14.778762     8.2e-02
iter:  82  18:36:10  -14.778177     3.9e-01
iter:  83  18:36:12  -14.777361     1.2e+00
iter:  84  18:36:14  -14.777094     3.3e-01
iter:  85  18:36:15  -14.777376     2.3e-02
iter:  86  18:36:17  -14.777487     4.0e-02
iter:  87  18:36:18  -14.777448     1.7e-01
iter:  88  18:36:20  -14.776924     1.3e+00
iter:  89  18:36:21  -14.777299     3.6e-02
iter:  90  18:36:23  -14.777235     3.7e-02
iter:  91  18:36:24  -14.777045     1.1e-01
iter:  92  18:36:26  -14.776712     4.5e-01
iter:  93  18:36:28  -14.776715     2.2e-02
iter:  94  18:36:29  -14.776681     1.2e-02
iter:  95  18:36:31  -14.776587     5.2e-02
iter:  96  18:36:32  -14.775907     1.5e+00
iter:  97  18:36:34  -14.776356     1.8e-01
iter:  98  18:36:35  -14.776354     3.2e-02
iter:  99  18:36:37  -14.776152     2.4e-01
iter: 100  18:36:38  -14.775817     5.9e-01
iter: 101  18:36:40  -14.774818     2.0e+00
iter: 102  18:36:41  -14.775422     2.8e-02
iter: 103  18:36:43  -14.775365     1.2e-01
iter: 104  18:36:45  -14.775046     2.5e-01
iter: 105  18:36:46  -14.773369     3.6e+00
iter: 106  18:36:48  -14.774600     2.7e-01
iter: 107  18:36:49  -14.774583     3.2e-02
iter: 108  18:36:51  -14.774110     4.3e-01
iter: 109  18:36:52  -14.773532     7.6e-01
iter: 110  18:36:54  -14.771261     4.4e+00
iter: 111  18:36:55  -14.772774     4.7e-02
iter: 112  18:36:57  -14.772805     3.3e-02
iter: 113  18:36:59  -14.772451     2.9e-01
iter: 114  18:37:00  -14.772005     3.2e-01
iter: 115  18:37:02  -14.768358     7.2e+00
iter: 116  18:37:03  -14.770601     3.2e-01
iter: 117  18:37:05  -14.770477     8.9e-02
iter: 118  18:37:06  -14.769270     7.6e-01
iter: 119  18:37:08  -14.768003     1.2e+00
iter: 120  18:37:09  -14.763472     6.5e+00
iter: 121  18:37:11  -14.766138     5.8e-02
iter: 122  18:37:12  -14.766226     1.4e-01
iter: 123  18:37:14  -14.765004     8.7e-01
iter: 124  18:37:16  -14.762192     2.8e+00
iter: 125  18:37:17  -14.754480     1.1e+01
iter: 126  18:37:19  -14.758673     3.1e-01
iter: 127  18:37:20  -14.758320     1.1e+00
iter: 128  18:37:22  -14.752390     7.5e+00
iter: 129  18:37:23  -14.739306     3.6e+01
iter: 130  18:37:25  -14.751679     1.8e+00
iter: 131  18:37:27  -14.752784     2.9e-01
iter: 132  18:37:28  -14.751602     1.9e+00
iter: 133  18:37:30  -14.748244     5.5e+00
iter: 134  18:37:31  -14.721421     6.3e+01
iter: 135  18:37:33  -14.742404     3.0e+00
iter: 136  18:37:34  -14.742340     2.1e+00
iter: 137  18:37:36  -14.736744     6.0e+00
iter: 138  18:37:37  -14.719217     4.1e+01
iter: 139  18:37:39  -14.728724     2.0e-01
iter: 140  18:37:41  -14.729347     1.6e+00
iter: 141  18:37:42  -14.721607     1.7e+01
iter: 142  18:37:44  -14.723527     9.8e-01
iter: 143  18:37:45  -14.718202     4.3e+00
iter: 144  18:37:47  -14.699228     3.7e+01
iter: 145  18:37:48  -14.712751     7.6e-01
iter: 146  18:37:50  -14.713393     1.5e+00
iter: 147  18:37:51  -14.711866     2.8e+00
iter: 148  18:37:53  -14.695922     3.7e+01
iter: 149  18:37:54  -14.707933     1.4e+00
iter: 150  18:37:56  -14.707783     5.7e-02
iter: 151  18:37:58  -14.704874     1.2e+00
iter: 152  18:37:59  -14.701317     2.6e+00
iter: 153  18:38:01  -14.634725     1.8e+02
iter: 154  18:38:02  -14.694651     2.2e+00
iter: 155  18:38:04  -14.696421     4.9e-02
iter: 156  18:38:05  -14.695811     1.0e+00
iter: 157  18:38:07  -14.693482     1.8e+00
iter: 158  18:38:08  -14.671502     6.3e+01
iter: 159  18:38:10  -14.689671     4.2e+00
iter: 160  18:38:11  -14.690400     1.9e-01
iter: 161  18:38:13  -14.688156     2.7e+00
iter: 162  18:38:15  -14.687192     2.9e+00
iter: 163  18:38:16  -14.679214     2.2e+01
iter: 164  18:38:18  -14.687256     1.4e-01
iter: 165  18:38:19  -14.687315     2.1e-02
iter: 166  18:38:21  -14.686975     1.4e-01
iter: 167  18:38:22  -14.685120     4.7e+00
iter: 168  18:38:24  -14.686343     4.9e-01
iter: 169  18:38:25  -14.686260     6.3e-02
iter: 170  18:38:27  -14.685991     1.8e-01
iter: 171  18:38:29  -14.685373     1.1e+00
iter: 172  18:38:30  -14.685591     1.0e-01
iter: 173  18:38:32  -14.685575     2.4e-02
iter: 174  18:38:33  -14.685470     8.0e-02
iter: 175  18:38:35  -14.684523     2.2e+00
iter: 176  18:38:36  -14.684996     1.9e-01
iter: 177  18:38:38  -14.684948     2.0e-02
iter: 178  18:38:39  -14.684786     1.2e-01
iter: 179  18:38:41  -14.684476     6.5e-01
iter: 180  18:38:43  -14.684542     2.3e-01
iter: 181  18:38:44  -14.684559     4.4e-02
iter: 182  18:38:46  -14.684512     7.9e-02
iter: 183  18:38:48  -14.684420     1.7e-01
iter: 184  18:38:49  -14.684146     7.3e-01
iter: 185  18:38:51  -14.684308     1.2e-01
iter: 186  18:38:52  -14.684310     2.3e-02
iter: 187  18:38:54  -14.684197     1.3e-01
iter: 188  18:38:56  -14.683777     1.2e+00
iter: 189  18:38:57  -14.684154     9.2e-02
iter: 190  18:38:59  -14.684188     7.6e-03
iter: 191  18:39:01  -14.684182     3.2e-02
iter: 192  18:39:02  -14.684135     2.2e-01
iter: 193  18:39:04  -14.684213     2.8e-02
iter: 194  18:39:05  -14.684224     5.3e-03
iter: 195  18:39:07  -14.684210     2.6e-02
iter: 196  18:39:08  -14.683965     6.3e-01
iter: 197  18:39:10  -14.684143     6.7e-02
iter: 198  18:39:11  -14.684140     9.0e-03
iter: 199  18:39:13  -14.684115     2.4e-02
iter: 200  18:39:15  -14.684087     6.4e-02
iter: 201  18:39:16  -14.684000     2.6e-01
iter: 202  18:39:18  -14.684100     6.4e-03
iter: 203  18:39:19  -14.684110     2.7e-03
iter: 204  18:39:21  -14.684125     2.2e-02
iter: 205  18:39:22  -14.683799     1.0e+00
iter: 206  18:39:24  -14.684102     7.1e-02
iter: 207  18:39:25  -14.684112     3.6e-03
iter: 208  18:39:27  -14.684054     9.6e-02
iter: 209  18:39:29  -14.684005     1.4e-01
iter: 210  18:39:30  -14.683937     1.4e-01
iter: 211  18:39:32  -14.683807     3.0e-01
iter: 212  18:39:33  -14.683950     2.6e-03
iter: 213  18:39:35  -14.683960     3.2e-03
iter: 214  18:39:36  -14.683963     2.5e-02
iter: 215  18:39:38  -14.683819     4.2e-01
iter: 216  18:39:39  -14.683958     6.4e-03
iter: 217  18:39:41  -14.683956     3.5e-04

Unoccupied orbitals converged after 217 iterations

Converged after 98 iterations.

Dipole moment: (0.000011, -0.001447, -0.137296) |e|*Ang

Total magnetic moment: (0.000000, 0.000000, -0.000000)
Local magnetic moments:
   0 N  ( 0.000000,  0.000000, -0.456304)
   1 H  ( 0.000000,  0.000000,  0.009193)
   2 H  ( 0.000000,  0.000000,  0.008528)
   3 H  ( 0.000000,  0.000000,  0.008584)

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

Kinetic:         +9.256978
Potential:       -9.667439
External:        +0.000000
XC:             -11.112973
Entropy (-ST):   +0.000000
Local:           +0.244352
SIC:             +2.021167
--------------------------
Free energy:     -9.257916
Extrapolated:    -9.257916

Spin contamination: 1.008000 electrons
                   Up                     Down
 Band  Eigenvalues  Occupancy  Eigenvalues  Occupancy
    0    -35.43226    1.00000    -35.98320    1.00000
    1    -24.74071    1.00000    -24.86997    1.00000
    2    -24.72337    1.00000    -24.70563    1.00000
    3     -2.38239    1.00000    -21.63291    1.00000
    4    -11.54880    0.00000     -3.34800    0.00000
    5     -3.51116    0.00000     -1.45412    0.00000
    6     -1.74909    0.00000     -1.44077    0.00000
    7     -1.74732    0.00000     -0.29150    0.00000
    8     -0.90201    0.00000      0.04998    0.00000
    9     -0.80896    0.00000      0.05193    0.00000
   10     -0.80813    0.00000      0.43248    0.00000
   11     -0.46649    0.00000      0.62064    0.00000
   12     -0.46355    0.00000      0.62432    0.00000
   13     -0.30320    0.00000      0.71759    0.00000

For SIC calculations there are
diagonal elements of Lagrange matrix and its eigenvalues.
Eigenvalues are printed above. 
Labeling here corresponds to how optimal orbitals are sorted in array

                  Up                   Down
 Band         L_ii   Occupancy   Band      L_ii   Occupancy
    3    -28.33316    1.00000    3    -27.81001    1.00000
    0    -28.27990    1.00000    2    -27.80242    1.00000
    2    -28.27987    1.00000    1    -27.80154    1.00000
    4    -11.40998    0.00000    0    -23.77775    1.00000
    5     -3.42808    0.00000    4     -3.27397    0.00000
    1     -2.38580    1.00000    6     -1.33215    0.00000
    7     -1.74012    0.00000    5     -1.19448    0.00000
    6     -1.73871    0.00000    7     -0.23272    0.00000
   10     -1.03517    0.00000    8      0.01612    0.00000
    9     -0.81640    0.00000    9      0.10812    0.00000
    8     -0.81561    0.00000   10      0.36177    0.00000
   11     -0.47338    0.00000   13      0.41431    0.00000
   12     -0.47082    0.00000   12      0.54606    0.00000
   13     -0.38044    0.00000   11      0.54951    0.00000



Perdew-Zunger SIC
Spin:   0 
            Self-Har.  Self-XC   Hartree + XC  Scaling
            energy:    energy:   energy:       Factors:
band:   0   10.836495 -11.052761  -0.216266    1.000  1.000
band:   1    1.721700  -2.100338  -0.378638    1.000  1.000
band:   2   10.844347 -11.064614  -0.220267    1.000  1.000
band:   3   10.861978 -11.082014  -0.220036    1.000  1.000
---------------------------------------------------------
Total       34.264520 -35.299727  -1.035208


Spin:   1 
            Self-Har.  Self-XC   Hartree + XC  Scaling
            energy:    energy:   energy:       Factors:
band:   0    9.819649 -10.157307  -0.337658    1.000  1.000
band:   1   10.163712 -10.386851  -0.223139    1.000  1.000
band:   2   10.163890 -10.387018  -0.223129    1.000  1.000
band:   3   10.222837 -10.424871  -0.202035    1.000  1.000
---------------------------------------------------------
Total       40.370087 -41.356047  -0.985960


Fermi level: inf

Writing to mixed.gpw (mode='all')

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:     0.071     0.071   0.0% |
 Symmetrize density:                         0.000     0.000   0.0% |
Hamiltonian:                                 1.110     0.005   0.0% |
 Atomic:                                     0.000     0.000   0.0% |
  XC Correction:                             0.000     0.000   0.0% |
 Calculate atomic Hamiltonians:              0.000     0.000   0.0% |
 Communicate:                                0.032     0.032   0.0% |
 Hartree integrate/restrict:                 0.052     0.052   0.0% |
 Poisson:                                    0.207     0.014   0.0% |
  Communicate from 1D:                       0.034     0.034   0.0% |
  Communicate from 2D:                       0.028     0.028   0.0% |
  Communicate to 1D:                         0.035     0.035   0.0% |
  Communicate to 2D:                         0.034     0.034   0.0% |
  FFT 1D:                                    0.021     0.021   0.0% |
  FFT 2D:                                    0.041     0.041   0.0% |
 XC 3D grid:                                 0.804     0.804   0.0% |
 vbar:                                       0.009     0.009   0.0% |
Redistribute:                                0.001     0.001   0.0% |
SCF-cycle:                                5522.324     1.625   0.0% |
 Apply hamiltonian:                          0.159     0.159   0.0% |
 Direct Minimisation step:                5513.097    56.745   1.0% |
  Get Search Direction:                    427.283   427.283   7.7% |--|
  Gradient unoccupied orbitals:             77.855    34.475   0.6% |
   Apply hamiltonian:                       25.711    25.711   0.5% |
   Orthonormalize:                          17.669     0.057   0.0% |
    calc_s_matrix:                           3.477     3.477   0.1% |
    inverse-cholesky:                        1.018     1.018   0.0% |
    projections:                             0.031     0.031   0.0% |
    rotate_psi_s:                           13.087    13.087   0.2% |
  Inner loop:                             4940.324   190.309   3.4% ||
   Density:                                  0.160     0.000   0.0% |
    Atomic density matrices:                 0.025     0.025   0.0% |
    Mix:                                     0.103     0.103   0.0% |
    Multipole moments:                       0.000     0.000   0.0% |
    Pseudo density:                          0.032     0.032   0.0% |
     Symmetrize density:                     0.000     0.000   0.0% |
   Energy and gradients:                  2844.650    67.843   1.2% |
    KS e/g grid calculations:              270.623    27.513   0.5% |
     Apply hamiltonian:                    243.109   243.109   4.4% |-|
    SIC e/g grid calculations:            2465.985    50.482   0.9% |
     Get Pseudo Potential:                2014.527  2014.527  36.4% |--------------|
     PAW:                                  400.976   400.976   7.2% |--|
    Unitary gradients:                      40.199    40.199   0.7% |
   Hamiltonian:                              2.303     0.005   0.0% |
    Atomic:                                  0.000     0.000   0.0% |
     XC Correction:                          0.000     0.000   0.0% |
    Calculate atomic Hamiltonians:           0.000     0.000   0.0% |
    Communicate:                             0.065     0.065   0.0% |
    Hartree integrate/restrict:              0.094     0.094   0.0% |
    New Kinetic Energy:                      0.099     0.099   0.0% |
    Poisson:                                 0.412     0.020   0.0% |
     Communicate from 1D:                    0.064     0.064   0.0% |
     Communicate from 2D:                    0.052     0.052   0.0% |
     Communicate to 1D:                      0.066     0.066   0.0% |
     Communicate to 2D:                      0.087     0.087   0.0% |
     FFT 1D:                                 0.041     0.041   0.0% |
     FFT 2D:                                 0.082     0.082   0.0% |
    XC 3D grid:                              1.615     1.615   0.0% |
    vbar:                                    0.012     0.012   0.0% |
   Unitary matrix:                           0.511     0.511   0.0% |
   Update Kohn-Sham energy:               1902.391     0.049   0.0% |
    Density:                               118.204     0.031   0.0% |
     Atomic density matrices:               18.457    18.457   0.3% |
     Mix:                                   74.615    74.615   1.3% ||
     Multipole moments:                      0.243     0.243   0.0% |
     Pseudo density:                        24.858    24.829   0.4% |
      Symmetrize density:                    0.029     0.029   0.0% |
    Hamiltonian:                          1784.139     3.552   0.1% |
     Atomic:                                 0.244     0.240   0.0% |
      XC Correction:                         0.004     0.004   0.0% |
     Calculate atomic Hamiltonians:          0.322     0.322   0.0% |
     Communicate:                           47.041    47.041   0.8% |
     Hartree integrate/restrict:            66.453    66.453   1.2% |
     New Kinetic Energy:                    72.881    72.881   1.3% ||
     Poisson:                              300.430    15.450   0.3% |
      Communicate from 1D:                  47.309    47.309   0.9% |
      Communicate from 2D:                  43.147    43.147   0.8% |
      Communicate to 1D:                    50.123    50.123   0.9% |
      Communicate to 2D:                    51.362    51.362   0.9% |
      FFT 1D:                               30.247    30.247   0.5% |
      FFT 2D:                               62.791    62.791   1.1% |
     XC 3D grid:                          1284.481  1284.481  23.2% |--------|
     vbar:                                   8.734     8.734   0.2% |
   projections:                              0.000     0.000   0.0% |
  Orthonormalize:                           10.889     0.029   0.0% |
   calc_s_matrix:                            1.844     1.844   0.0% |
   inverse-cholesky:                         3.095     3.095   0.1% |
   projections:                              0.014     0.014   0.0% |
   rotate_psi_s:                             5.906     5.906   0.1% |
 Inner loop:                                 5.874     0.713   0.0% |
  Energy and gradients:                      3.444     0.047   0.0% |
   KS e/g grid calculations:                 0.393     0.018   0.0% |
    Apply hamiltonian:                       0.375     0.375   0.0% |
   SIC e/g grid calculations:                2.971     0.060   0.0% |
    Get Pseudo Potential:                    2.442     2.442   0.0% |
    PAW:                                     0.469     0.469   0.0% |
   Unitary gradients:                        0.033     0.033   0.0% |
  Unitary matrix:                            0.001     0.001   0.0% |
  Update Kohn-Sham energy:                   1.717     0.000   0.0% |
   Density:                                  0.094     0.000   0.0% |
    Atomic density matrices:                 0.019     0.019   0.0% |
    Mix:                                     0.052     0.052   0.0% |
    Multipole moments:                       0.000     0.000   0.0% |
    Pseudo density:                          0.023     0.023   0.0% |
     Symmetrize density:                     0.000     0.000   0.0% |
   Hamiltonian:                              1.623     0.002   0.0% |
    Atomic:                                  0.000     0.000   0.0% |
     XC Correction:                          0.000     0.000   0.0% |
    Calculate atomic Hamiltonians:           0.000     0.000   0.0% |
    Communicate:                             0.095     0.095   0.0% |
    Hartree integrate/restrict:              0.036     0.036   0.0% |
    New Kinetic Energy:                      0.202     0.202   0.0% |
    Poisson:                                 0.403     0.012   0.0% |
     Communicate from 1D:                    0.098     0.098   0.0% |
     Communicate from 2D:                    0.095     0.095   0.0% |
     Communicate to 1D:                      0.028     0.028   0.0% |
     Communicate to 2D:                      0.108     0.108   0.0% |
     FFT 1D:                                 0.020     0.020   0.0% |
     FFT 2D:                                 0.042     0.042   0.0% |
    XC 3D grid:                              0.877     0.877   0.0% |
    vbar:                                    0.006     0.006   0.0% |
 Orthonormalize:                             0.096     0.000   0.0% |
  Orthonormalize:                            0.096     0.000   0.0% |
   calc_s_matrix:                            0.018     0.018   0.0% |
   inverse-cholesky:                         0.009     0.009   0.0% |
   projections:                              0.000     0.000   0.0% |
   rotate_psi_s:                             0.069     0.069   0.0% |
 SIC e/g grid calculations:                  1.473     0.051   0.0% |
  Get Pseudo Potential:                      1.185     1.185   0.0% |
  PAW:                                       0.236     0.236   0.0% |
Set symmetry:                                0.000     0.000   0.0% |
Other:                                      11.293    11.293   0.2% |
-------------------------------------------------------------------
Total:                                              5534.798 100.0%

Memory usage: 2.48 GiB
Date: Tue Aug 22 18:39:52 2023
