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

User:   aes38@compute-84
Date:   Fri Aug 25 14:15:02 2023
Arch:   x86_64
Pid:    703802
CWD:    /users/home/aes38/Rydberg/new/water/sicfromlcao/secondext
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/water/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:
  O:
    name: Oxygen
    id: 32ecd46bf208036f09c70b0ec9a88b78
    Z: 8.0
    valence: 6
    core: 2
    charge: 0.0
    file: /users/home/share/gpaw-setups-0.9.20000/O.PBE.gz
    compensation charges: {type: gauss,
                           rc: 0.21,
                           lmax: 2}
    cutoffs: {filter: 1.17,
              core: 0.83}
    valence states:
      #              energy  rcut
      - 2s(2.00)   -23.961   0.688
      - 2p(4.00)    -9.029   0.598
      -  s           3.251   0.688
      -  p          18.182   0.598
      -  d           0.000   0.619
  
    # LCAO basis set for O:
    #   Name: aug-cc-pVDZ_PBE.sz
    #   File: /users/home/aes38/basissets/O.aug-cc-pVDZ_PBE.sz.basis
    #   Number of radial functions: 8
    #   Number of spherical harmonics: 22
    #     l=0, rc=4.3438 Bohr: 2s-sz confined orbital
    #     l=1, rc=5.3906 Bohr: 2p-sz confined orbital
    #     l=0, rc=5.6562 Bohr: NGTO(s,0.3023000)
    #     l=0, rc=10.3906 Bohr: NGTO(s,0.0789600)
    #     l=1, rc=5.9062 Bohr: NGTO(p,0.2753000)
    #     l=1, rc=11.0312 Bohr: NGTO(p,0.0685600)
    #     l=2, rc=3.1406 Bohr: NGTO(d,1.1850000)
    #     l=2, rc=5.6250 Bohr: NGTO(d,0.3320000)
    #   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: -2065.832626  # 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: 132*144*136 grid
  Fine grid: 264*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 264*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: [0, 2, 1]
 

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 324.81 MiB
  Calculator: 149.84 MiB
    Density: 41.99 MiB
      Arrays: 41.81 MiB
      Localized functions: 0.18 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 31.08 MiB
      Arrays: 31.07 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 76.77 MiB
      Arrays psit_nG: 65.12 MiB
      Eigensolver: 11.63 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: 3
Number of atomic orbitals: 40
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:
  O:
    name: Oxygen
    id: 32ecd46bf208036f09c70b0ec9a88b78
    Z: 8.0
    valence: 6
    core: 2
    charge: 0.0
    file: /users/home/share/gpaw-setups-0.9.20000/O.PBE.gz
    compensation charges: {type: gauss,
                           rc: 0.21,
                           lmax: 2}
    cutoffs: {filter: 1.17,
              core: 0.83}
    valence states:
      #              energy  rcut
      - 2s(2.00)   -23.961   0.688
      - 2p(4.00)    -9.029   0.598
      -  s           3.251   0.688
      -  p          18.182   0.598
      -  d           0.000   0.619
  
    # LCAO basis set for O:
    #   Name: aug-cc-pVDZ_PBE.sz
    #   File: /users/home/aes38/basissets/O.aug-cc-pVDZ_PBE.sz.basis
    #   Number of radial functions: 8
    #   Number of spherical harmonics: 22
    #     l=0, rc=4.3438 Bohr: 2s-sz confined orbital
    #     l=1, rc=5.3906 Bohr: 2p-sz confined orbital
    #     l=0, rc=5.6562 Bohr: NGTO(s,0.3023000)
    #     l=0, rc=10.3906 Bohr: NGTO(s,0.0789600)
    #     l=1, rc=5.9062 Bohr: NGTO(p,0.2753000)
    #     l=1, rc=11.0312 Bohr: NGTO(p,0.0685600)
    #     l=2, rc=3.1406 Bohr: NGTO(d,1.1850000)
    #     l=2, rc=5.6250 Bohr: NGTO(d,0.3320000)
    #   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: -2065.832626  # 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: 777.83 MiB
  Calculator: 149.84 MiB
    Density: 41.99 MiB
      Arrays: 41.81 MiB
      Localized functions: 0.18 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 31.08 MiB
      Arrays: 31.07 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 76.77 MiB
      Arrays psit_nG: 65.12 MiB
      Eigensolver: 11.63 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: 3
Number of atomic orbitals: 40
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
              .------------------------------------------------.  
             /|                                                |  
            / |                                                |  
           /  |                                                |  
          /   |                                                |  
         /    |                                                |  
        /     |                                                |  
       /      |                                                |  
      /       |                                                |  
     /        |                                                |  
    /         |                                                |  
   /          |                                                |  
  /           |                                                |  
 *            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            |                 O                              |  
 |            |                 H                              |  
 |            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            .------------------------------------------------.  
 |           /                                                /   
 |          /                                                /    
 |         /                                                /     
 |        /                                                /      
 |       /                                                /       
 |      /                                                /        
 |     /                                                /         
 |    /                                                /          
 |   /                                                /           
 |  /                                                /            
 | /                                                /             
 |/                                                /              
 *------------------------------------------------*               

Positions:
   0 O     10.000000   10.757136   10.586132    ( 0.0000,  0.0000,  0.0000)
   1 H     10.000000   11.514273   10.000000    ( 0.0000,  0.0000,  0.0000)
   2 H     10.000000   10.000000   10.000000    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    no    20.000000    0.000000    0.000000   132     0.1515
  2. axis:    no     0.000000   21.514273    0.000000   144     0.1494
  3. axis:    no     0.000000    0.000000   20.586132   136     0.1514

  Lengths:  20.000000  21.514273  20.586132
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1508

     iter     time        total  log10-change:  magmom
                         energy  eigst   dens
iter:   1 14:20:37    -2.560611  +0.90  -3.49    +0.0000
iter:   2 14:22:29    -2.707068  -0.32  -4.25c   -0.0000
iter:   3 14:24:10    -2.716621  -0.37  -5.41c   -0.0000
iter:   4 14:26:08    -2.704745  +0.59  -5.48c   -0.0000
iter:   5 14:27:54    -2.655648  +1.37  -4.88c   -0.0000
iter:   6 14:28:38    -2.724215  -0.15  -5.06c   -0.0000
iter:   7 14:29:58    -2.727722  -1.00  -5.44c   +0.0000
iter:   8 14:31:25    -2.727643c -0.47  -4.46c   +0.0000
iter:   9 14:32:50    -2.726697c -0.11  -4.58c   +0.0000
iter:  10 14:34:16    -2.720973  +0.46  -4.86c   -0.0000
iter:  11 14:35:34    -2.729256  -1.47  -5.62c   -0.0000
iter:  12 14:35:45    -2.729426  -2.27  -3.88    -0.0000
iter:  13 14:37:03    -2.729438c -1.40  -5.40c   +0.0000
iter:  14 14:37:43    -2.729316c -1.04  -5.76c   +0.0000
iter:  15 14:38:42    -2.729555c -1.98  -5.56c   +0.0000
iter:  16 14:39:22    -2.729590c -2.56  -5.50c   +0.0000
iter:  17 14:40:07    -2.729579c -2.08  -5.65c   +0.0000
iter:  18 14:41:15    -2.729561c -1.79  -4.15c   +0.0000
iter:  19 14:41:26    -2.729604c -2.59  -4.18c   +0.0000
iter:  20 14:42:05    -2.729612c -2.81  -4.88c   +0.0000
iter:  21 14:43:04    -2.729611c -2.78  -5.32c   +0.0000
iter:  22 14:43:39    -2.729575c -1.79  -4.67c   +0.0000
iter:  23 14:43:50    -2.729618c -2.99  -4.50c   +0.0000
iter:  24 14:44:02    -2.729621c -3.95  -4.69c   +0.0000
iter:  25 14:44:13    -2.729621c -3.52  -4.85c   +0.0000
iter:  26 14:44:54    -2.729622c -3.54  -5.23c   +0.0000
iter:  27 14:45:38    -2.729610c -2.35  -5.73c   +0.0000
iter:  28 14:45:49    -2.729622c -4.56  -4.54c   +0.0000
iter:  29 14:46:01    -2.729623c -5.14  -5.47c   +0.0000
iter:  30 14:46:12    -2.729622c -3.46  -4.82c   -0.0000
iter:  31 14:46:38    -2.729621c -3.22  -5.51c   +0.0000
iter:  32 14:46:49    -2.729623c -5.15  -5.29c   -0.0000
iter:  33 14:47:00    -2.729623c -5.83  -6.10c   +0.0000
iter:  34 14:47:35    -2.729623c -4.78  -5.61c   -0.0000
iter:  35 14:47:47    -2.729623c -4.34  -5.40c   -0.0000
iter:  36 14:47:58    -2.729623c -5.99  -5.53c   -0.0000
iter:  37 14:48:09    -2.729623c -5.88  -6.22c   -0.0000
iter:  38 14:48:20    -2.729623c -5.05  -5.60c   -0.0000
iter:  39 14:48:32    -2.729623c -4.52  -5.49c   -0.0000
iter:  40 14:48:43    -2.729623c -5.19  -6.02c   -0.0000
iter:  41 14:49:04    -2.729623c -4.72  -5.49c   -0.0000
iter:  42 14:49:16    -2.729623c -4.41  -5.50c   -0.0000
iter:  43 14:50:05    -2.729623c -3.91  -5.83c   -0.0000
iter:  44 14:50:40    -2.729623c -4.20  -5.39c   -0.0000
iter:  45 14:51:29    -2.729621c -3.16  -5.10c   -0.0000
iter:  46 14:51:54    -2.729623c -4.84  -5.30c   -0.0000
iter:  47 14:52:20    -2.729623c -5.66  -5.34c   -0.0000
iter:  48 14:52:31    -2.729623c -5.42  -5.36c   -0.0000
iter:  49 14:53:25    -2.729623c -4.83  -5.74c   -0.0000
iter:  50 14:53:51    -2.729623c -4.09  -5.38c   -0.0000
iter:  51 14:54:40    -2.729622c -3.78  -5.83c   -0.0000
iter:  52 14:55:14    -2.729623c -4.37  -5.50c   -0.0000
iter:  53 14:55:59    -2.729623c -4.19  -5.31c   -0.0000
iter:  54 14:56:38    -2.729623c -4.73  -5.78c   -0.0000
iter:  55 14:57:27    -2.729623c -4.84  -5.65c   -0.0000
iter:  56 14:58:02    -2.729621c -3.15  -5.42c   -0.0000
iter:  57 14:58:37    -2.729623c -4.90  -5.23c   -0.0000
iter:  58 14:58:48    -2.729623c -5.39  -5.65c   -0.0000
iter:  59 14:58:59    -2.729623c -4.94  -5.58c   -0.0000
iter:  60 14:59:25    -2.729623c -4.55  -5.00c   -0.0000
iter:  61 14:59:36    -2.729623c -6.38c -5.33c   -0.0000

Occupied states converged after 417 KS and 530 SIC e/g evaluations
Converge unoccupied states:
                                   wfs    
           time        Energy:     error(ev^2):
iter:   1  14:59:38  -14.872581     2.2e+01
iter:   2  14:59:40  -14.918743     1.5e+01
iter:   3  14:59:42  -14.953713     1.3e+01
iter:   4  14:59:44  -14.970996     2.1e+01
iter:   5  14:59:46  -14.904927     2.2e+02
iter:   6  14:59:49  -14.933954     1.8e+02
iter:   7  14:59:51  -14.991506     4.5e+01
iter:   8  14:59:53  -14.927032     2.1e+02
iter:   9  14:59:56  -14.910133     2.5e+02
iter:  10  14:59:58  -14.986061     7.7e+01
iter:  11  15:00:00  -14.875765     3.8e+02
iter:  12  15:00:02  -14.960360     1.5e+02
iter:  13  15:00:04  -14.921880     2.7e+02
iter:  14  15:00:06  -14.928567     2.4e+02
iter:  15  15:00:08  -14.938478     2.2e+02
iter:  16  15:00:11  -14.965074     1.5e+02
iter:  17  15:00:13  -14.868919     4.2e+02
iter:  18  15:00:15  -14.957655     1.7e+02
iter:  19  15:00:17  -14.574157     1.3e+03
iter:  20  15:00:19  -14.699218     9.1e+02
iter:  21  15:00:22  -13.818499     3.4e+03
iter:  22  15:00:24  -13.804345     3.5e+03
iter:  23  15:00:26  -14.343125     2.0e+03
iter:  24  15:00:28  -14.608878     1.2e+03
iter:  25  15:00:30  -14.257586     2.2e+03
iter:  26  15:00:32  -14.739111     8.3e+02
iter:  27  15:00:35  -14.808107     6.2e+02
iter:  28  15:00:37  -14.581864     1.3e+03
iter:  29  15:00:39  -14.840407     5.2e+02
iter:  30  15:00:41  -14.828381     5.7e+02
iter:  31  15:00:43  -14.918957     3.0e+02
iter:  32  15:00:45  -14.965423     1.6e+02
iter:  33  15:00:48  -14.235869     2.3e+03
iter:  34  15:00:50  -14.878374     4.1e+02
iter:  35  15:00:53  -14.988441     1.0e+02
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iter:  37  15:00:57  -14.973490     1.6e+02
iter:  38  15:00:59  -15.009165     6.4e+01
iter:  39  15:01:01  -15.021044     3.0e+01
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iter:  42  15:01:07  -15.014421     5.1e+01
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iter:  44  15:01:11  -12.624776     7.1e+03
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iter:  46  15:01:15  -15.032663     1.8e+00
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iter:  68  15:02:03  -15.033190     6.8e+00
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iter:  70  15:02:08  -15.035484     1.5e+00
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iter:  72  15:02:12  -15.035556     1.6e+00
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iter:  74  15:02:16  -15.032416     1.0e+01
iter:  75  15:02:18  -15.034732     3.0e+00
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iter:  79  15:02:27  -15.035585     1.1e+00
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iter:  91  15:02:53  -15.035578     1.0e+00
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iter:  95  15:03:02  -15.032545     6.5e+00
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iter:  99  15:03:10  -14.962497     2.1e+02
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iter: 110  15:03:34  -15.031668     1.1e+00
iter: 111  15:03:36  -15.030446     4.7e+00
iter: 112  15:03:39  -15.025128     1.8e+01
iter: 113  15:03:41  -15.013982     4.9e+01
iter: 114  15:03:43  -15.029502     2.0e+00
iter: 115  15:03:45  -15.018832     3.0e+01
iter: 116  15:03:47  -15.011858     4.6e+01
iter: 117  15:03:49  -14.869563     4.5e+02
iter: 118  15:03:52  -15.026792     4.4e+00
iter: 119  15:03:54  -15.028977     9.4e-01
iter: 120  15:03:56  -15.023997     1.5e+01
iter: 121  15:03:58  -14.950614     2.3e+02
iter: 122  15:04:00  -15.020385     1.8e+01
iter: 123  15:04:02  -15.023230     9.7e+00
iter: 124  15:04:05  -15.018231     2.1e+01
iter: 125  15:04:07  -14.976719     1.4e+02
iter: 126  15:04:09  -15.020014     9.9e+00
iter: 127  15:04:11  -15.023031     2.4e+00
iter: 128  15:04:13  -15.020311     1.1e+01
iter: 129  15:04:15  -14.958076     2.0e+02
iter: 130  15:04:18  -14.999929     6.7e+01
iter: 131  15:04:20  -15.012466     1.8e+01
iter: 132  15:04:22  -15.000094     5.1e+01
iter: 133  15:04:24  -14.996256     6.2e+01
iter: 134  15:04:26  -14.707300     9.1e+02
iter: 135  15:04:28  -15.013041     9.2e+00
iter: 136  15:04:31  -15.016327     7.6e-01
iter: 137  15:04:33  -15.014677     5.9e+00
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iter: 141  15:04:42  -15.012079     6.8e+00
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iter: 148  15:04:57  -15.012186     2.6e-01
iter: 149  15:04:59  -15.011155     2.8e+00
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iter: 155  15:05:12  -15.006595     1.3e+01
iter: 156  15:05:14  -15.010303     1.7e+00
iter: 157  15:05:16  -15.010775     2.8e-01
iter: 158  15:05:19  -15.009438     3.1e+00
iter: 159  15:05:21  -15.006991     1.0e+01
iter: 160  15:05:23  -15.009898     1.9e+00
iter: 161  15:05:25  -15.010373     4.0e-01
iter: 162  15:05:27  -15.010281     6.0e-01
iter: 163  15:05:29  -15.000096     3.1e+01
iter: 164  15:05:31  -15.009951     1.2e+00
iter: 165  15:05:34  -15.010306     1.5e-01
iter: 166  15:05:36  -15.009836     1.3e+00
iter: 167  15:05:38  -15.009152     3.0e+00
iter: 168  15:05:40  -15.007775     6.2e+00
iter: 169  15:05:42  -15.009872     1.6e-01
iter: 170  15:05:45  -15.009848     3.2e-01
iter: 171  15:05:47  -15.009582     9.8e-01
iter: 172  15:05:49  -15.008706     3.3e+00
iter: 173  15:05:51  -15.009652     2.6e-01
iter: 174  15:05:53  -15.009723     8.5e-02
iter: 175  15:05:55  -15.009643     1.4e-01
iter: 176  15:05:57  -15.008933     1.9e+00
iter: 177  15:06:00  -15.009180     9.7e-01
iter: 178  15:06:02  -15.007565     5.3e+00
iter: 179  15:06:04  -15.009302     1.7e-01
iter: 180  15:06:06  -15.009331     1.3e-01
iter: 181  15:06:08  -15.009009     9.2e-01
iter: 182  15:06:10  -15.008120     3.1e+00
iter: 183  15:06:13  -15.009156     1.7e-01
iter: 184  15:06:15  -15.009185     3.1e-02
iter: 185  15:06:17  -15.008979     3.9e-01
iter: 186  15:06:19  -15.008849     5.1e-01
iter: 187  15:06:21  -15.007844     3.0e+00
iter: 188  15:06:24  -15.008886     1.9e-02
iter: 189  15:06:26  -15.008898     3.1e-02
iter: 190  15:06:28  -15.008822     1.9e-01
iter: 191  15:06:30  -15.008717     3.4e-01
iter: 192  15:06:32  -15.008428     9.3e-01
iter: 193  15:06:34  -15.008742     1.7e-02
iter: 194  15:06:37  -15.008706     1.1e-01
iter: 195  15:06:39  -15.008627     2.2e-01
iter: 196  15:06:41  -15.008110     1.3e+00
iter: 197  15:06:43  -15.008534     1.1e-01
iter: 198  15:06:45  -15.008556     1.5e-02
iter: 199  15:06:48  -15.008497     8.8e-02
iter: 200  15:06:50  -15.008109     1.1e+00
iter: 201  15:06:52  -15.008425     7.0e-02
iter: 202  15:06:54  -15.008433     1.9e-02
iter: 203  15:06:56  -15.008401     7.3e-02
iter: 204  15:06:58  -15.008314     2.3e-01
iter: 205  15:07:00  -15.008281     2.5e-01
iter: 206  15:07:03  -15.008348     2.5e-02
iter: 207  15:07:05  -15.008326     7.7e-02
iter: 208  15:07:07  -15.008290     1.3e-01
iter: 209  15:07:09  -15.007859     1.2e+00
iter: 210  15:07:11  -15.008303     1.9e-02
iter: 211  15:07:13  -15.008308     7.7e-04
iter: 212  15:07:16  -15.008268     5.0e-02
iter: 213  15:07:18  -15.008231     8.4e-02
iter: 214  15:07:20  -15.008156     1.9e-01
iter: 215  15:07:22  -15.008219     1.6e-03
iter: 216  15:07:24  -15.008206     3.6e-02
iter: 217  15:07:26  -15.008200     3.8e-02
iter: 218  15:07:29  -15.008133     2.1e-01
iter: 219  15:07:31  -15.008204     1.5e-03
iter: 220  15:07:33  -15.008202     3.3e-03
iter: 221  15:07:35  -15.008190     1.9e-02
iter: 222  15:07:37  -15.008091     2.7e-01
iter: 223  15:07:40  -15.008177     9.1e-03
iter: 224  15:07:42  -15.008177     1.8e-03
iter: 225  15:07:44  -15.008164     2.1e-02
iter: 226  15:07:46  -15.008161     1.8e-02
iter: 227  15:07:48  -15.008047     3.4e-01
iter: 228  15:07:51  -15.008161     2.1e-03
iter: 229  15:07:53  -15.008162     8.2e-04
iter: 230  15:07:55  -15.008154     1.5e-02
iter: 231  15:07:57  -15.008148     1.3e-02
iter: 232  15:07:59  -15.008087     1.5e-01
iter: 233  15:08:01  -15.008134     4.5e-03
iter: 234  15:08:03  -15.008135     6.3e-04
iter: 235  15:08:06  -15.008130     4.1e-03
iter: 236  15:08:08  -15.008129     9.8e-03
iter: 237  15:08:10  -15.008084     1.4e-01
iter: 238  15:08:12  -15.008133     5.6e-04
iter: 239  15:08:14  -15.008133     5.9e-04
iter: 240  15:08:17  -15.008128     9.8e-03
iter: 241  15:08:19  -15.008109     4.4e-02
iter: 242  15:08:21  -15.008117     8.3e-03
iter: 243  15:08:23  -15.008110     3.5e-03
iter: 244  15:08:25  -15.008101     8.6e-03
iter: 245  15:08:27  -15.008047     1.4e-01
iter: 246  15:08:29  -15.008090     1.0e-03
iter: 247  15:08:32  -15.008090     8.1e-04
iter: 248  15:08:34  -15.008084     9.7e-03
iter: 249  15:08:36  -15.008058     6.2e-02
iter: 250  15:08:39  -15.008075     6.4e-03
iter: 251  15:08:41  -15.008071     5.2e-03
iter: 252  15:08:43  -15.008060     1.8e-02
iter: 253  15:08:45  -15.008047     3.4e-02
iter: 254  15:08:47  -15.007998     1.4e-01
iter: 255  15:08:49  -15.008048     1.4e-03
iter: 256  15:08:51  -15.008045     1.6e-02
iter: 257  15:08:53  -15.008036     3.3e-02
iter: 258  15:08:55  -15.008009     7.3e-02
iter: 259  15:08:57  -15.008022     6.9e-03
iter: 260  15:09:00  -15.008020     2.8e-03
iter: 261  15:09:02  -15.007982     6.4e-02
iter: 262  15:09:04  -15.007952     1.2e-01
iter: 263  15:09:06  -15.007966     7.0e-02
iter: 264  15:09:08  -15.007910     1.3e-01
iter: 265  15:09:10  -15.007865     1.9e-01
iter: 266  15:09:12  -15.007917     4.5e-02
iter: 267  15:09:14  -15.007907     3.1e-02
iter: 268  15:09:16  -15.007852     8.4e-02
iter: 269  15:09:18  -15.007484     9.7e-01
iter: 270  15:09:20  -15.007626     2.2e-01
iter: 271  15:09:23  -15.007479     1.9e-02
iter: 272  15:09:25  -15.006223     1.4e+00
iter: 273  15:09:27  -15.003345     5.8e+00
iter: 274  15:09:29  -15.005091     1.4e+00
iter: 275  15:09:31  -15.004107     1.7e+00
iter: 276  15:09:34  -15.004184     1.0e+00
iter: 277  15:09:36  -15.001444     7.0e+00
iter: 278  15:09:38  -15.001702     2.4e+00
iter: 279  15:09:40  -14.983994     4.6e+01
iter: 280  15:09:43  -15.000820     3.3e-01
iter: 281  15:09:45  -15.000991     3.0e-01
iter: 282  15:09:47  -14.997935     5.7e+00
iter: 283  15:09:49  -14.991825     1.7e+01
iter: 284  15:09:51  -14.997793     1.1e+00
iter: 285  15:09:54  -14.997816     3.3e-01
iter: 286  15:09:56  -14.996276     1.7e+00
iter: 287  15:09:58  -14.992053     9.8e+00
iter: 288  15:10:00  -14.993996     1.6e+00
iter: 289  15:10:02  -14.992600     1.4e+00
iter: 290  15:10:04  -14.988497     7.8e+00
iter: 291  15:10:07  -14.978463     2.5e+01
iter: 292  15:10:09  -14.985151     8.4e-01
iter: 293  15:10:11  -14.983515     3.0e+00
iter: 294  15:10:13  -14.980208     8.3e+00
iter: 295  15:10:15  -14.963497     4.9e+01
iter: 296  15:10:17  -14.981093     1.0e+00
iter: 297  15:10:20  -14.981768     4.0e-01
iter: 298  15:10:22  -14.981161     2.3e+00
iter: 299  15:10:24  -14.979128     6.8e+00
iter: 300  15:10:27  -14.979938     1.2e+00
iter: 301  15:10:29  -14.979925     3.0e-01
iter: 302  15:10:31  -14.975626     8.9e+00
iter: 303  15:10:33  -14.976129     5.3e+00
iter: 304  15:10:35  -14.977508     1.7e+00
iter: 305  15:10:37  -14.976506     2.5e+00
iter: 306  15:10:39  -14.975755     3.4e+00
iter: 307  15:10:41  -14.975857     1.8e+00
iter: 308  15:10:43  -14.968906     1.5e+01
iter: 309  15:10:46  -14.966171     1.5e+01
iter: 310  15:10:48  -14.972629     1.1e+00
iter: 311  15:10:50  -14.973025     6.2e-01
iter: 312  15:10:52  -14.971831     2.2e+00
iter: 313  15:10:54  -14.966790     1.2e+01
iter: 314  15:10:56  -14.969461     1.1e+00
iter: 315  15:10:58  -14.969336     2.7e-01
iter: 316  15:11:00  -14.968530     8.3e-01
iter: 317  15:11:02  -14.965923     5.0e+00
iter: 318  15:11:04  -14.966847     1.4e+00
iter: 319  15:11:07  -14.967065     3.3e-01
iter: 320  15:11:09  -14.966888     4.5e-01
iter: 321  15:11:11  -14.965346     3.1e+00
iter: 322  15:11:13  -14.964336     3.8e+00
iter: 323  15:11:16  -14.965250     7.3e-01
iter: 324  15:11:18  -14.965246     5.2e-01
iter: 325  15:11:20  -14.964350     2.3e+00
iter: 326  15:11:22  -14.960853     9.5e+00
iter: 327  15:11:24  -14.964268     3.5e-01
iter: 328  15:11:27  -14.964282     4.4e-01
iter: 329  15:11:29  -14.963955     9.5e-01
iter: 330  15:11:31  -14.959819     1.1e+01
iter: 331  15:11:33  -14.962485     1.3e+00
iter: 332  15:11:35  -14.962105     5.4e-01
iter: 333  15:11:37  -14.960117     3.7e+00

Unoccupied orbitals did not converge after 333 iterations

Converged after 61 iterations.

Dipole moment: (-0.000004, 0.000070, 0.327558) |e|*Ang

Total magnetic moment: (0.000000, 0.000000, -0.000000)
Local magnetic moments:
   0 O  ( 0.000000,  0.000000, -0.620652)
   1 H  ( 0.000000,  0.000000,  0.016183)
   2 H  ( 0.000000,  0.000000,  0.016184)

Energy contributions relative to reference atoms: (reference = -2065.832626)

Kinetic:         +8.714513
Potential:       -6.901627
External:        +0.000000
XC:              -7.526808
Entropy (-ST):   +0.000000
Local:           +0.310871
SIC:             +2.673427
--------------------------
Free energy:     -2.729623
Extrapolated:    -2.729623

Spin contamination: 0.970961 electrons
                   Up                     Down
 Band  Eigenvalues  Occupancy  Eigenvalues  Occupancy
    0    -39.76392    1.00000    -40.92054    1.00000
    1    -26.86560    1.00000    -27.00886    1.00000
    2    -22.61352    1.00000    -23.66619    1.00000
    3     -3.27925    1.00000    -23.52559    1.00000
    4    -12.25649    0.00000     -2.85706    0.00000
    5     -3.61406    0.00000     -0.60567    0.00000
    6     -0.74851    0.00000      0.10719    0.00000
    7     -0.73159    0.00000      0.17121    0.00000
    8     -0.40684    0.00000      0.48765    0.00000
    9     -0.31574    0.00000      0.59961    0.00000
   10     -0.02826    0.00000      0.75747    0.00000
   11      0.07639    0.00000      0.79275    0.00000
   12      0.08244    0.00000      0.80811    0.00000
   13      0.27031    0.00000      0.81774    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
    2    -32.16244    1.00000    1    -31.59529    1.00000
    0    -32.16221    1.00000    0    -31.59525    1.00000
    1    -24.54946    1.00000    3    -25.96533    1.00000
    4    -12.18502    0.00000    2    -25.96532    1.00000
    3     -3.64818    1.00000    4     -2.77509    0.00000
    5     -3.37336    0.00000    5     -0.57571    0.00000
    8     -0.76477    0.00000    7      0.17147    0.00000
    9     -0.51311    0.00000   13      0.40983    0.00000
    7     -0.31872    0.00000    6      0.44962    0.00000
   13     -0.29312    0.00000   11      0.51658    0.00000
    6     -0.20537    0.00000    8      0.62006    0.00000
   11     -0.06431    0.00000    9      0.69387    0.00000
   12     -0.02838    0.00000   10      0.76064    0.00000
   10      0.07382    0.00000   12      0.80773    0.00000



Perdew-Zunger SIC
Spin:   0 
            Self-Har.  Self-XC   Hartree + XC  Scaling
            energy:    energy:   energy:       Factors:
band:   0   11.864471 -12.153341  -0.288870    1.000  1.000
band:   1   11.258023 -11.688714  -0.430691    1.000  1.000
band:   2   11.864496 -12.153363  -0.288867    1.000  1.000
band:   3    2.628908  -3.174890  -0.545982    1.000  1.000
---------------------------------------------------------
Total       37.615899 -39.170309  -1.554410


Spin:   1 
            Self-Har.  Self-XC   Hartree + XC  Scaling
            energy:    energy:   energy:       Factors:
band:   0   11.512637 -11.738991  -0.226354    1.000  1.000
band:   1   11.512650 -11.739004  -0.226354    1.000  1.000
band:   2   11.211542 -11.544698  -0.333155    1.000  1.000
band:   3   11.211545 -11.544699  -0.333154    1.000  1.000
---------------------------------------------------------
Total       45.448374 -46.567391  -1.119017


Fermi level: inf

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

Timing:                                      incl.     excl.
-------------------------------------------------------------------
Density initialized from wave functions:     0.261     0.261   0.0% |
 Symmetrize density:                         0.000     0.000   0.0% |
Hamiltonian:                                 2.561     0.004   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:                                0.111     0.111   0.0% |
 Hartree integrate/restrict:                 0.133     0.133   0.0% |
 Poisson:                                    0.495     0.034   0.0% |
  Communicate from 1D:                       0.105     0.105   0.0% |
  Communicate from 2D:                       0.104     0.104   0.0% |
  Communicate to 1D:                         0.060     0.060   0.0% |
  Communicate to 2D:                         0.118     0.118   0.0% |
  FFT 1D:                                    0.023     0.023   0.0% |
  FFT 2D:                                    0.051     0.051   0.0% |
 XC 3D grid:                                 1.811     1.811   0.1% |
 vbar:                                       0.008     0.008   0.0% |
Redistribute:                                0.001     0.001   0.0% |
SCF-cycle:                                3245.801     2.227   0.1% |
 Apply hamiltonian:                          0.253     0.253   0.0% |
 Direct Minimisation step:                3223.565    66.689   2.0% ||
  Get Search Direction:                    664.446   664.446  19.4% |-------|
  Gradient unoccupied orbitals:            175.484    66.792   2.0% ||
   Apply hamiltonian:                       73.562    73.562   2.2% ||
   Orthonormalize:                          35.130     0.139   0.0% |
    calc_s_matrix:                           7.687     7.687   0.2% |
    inverse-cholesky:                        2.816     2.816   0.1% |
    projections:                             0.065     0.065   0.0% |
    rotate_psi_s:                           24.423    24.423   0.7% |
  Inner loop:                             2308.569    90.835   2.7% ||
   Density:                                  0.550     0.000   0.0% |
    Atomic density matrices:                 0.216     0.216   0.0% |
    Mix:                                     0.297     0.297   0.0% |
    Multipole moments:                       0.007     0.007   0.0% |
    Pseudo density:                          0.030     0.030   0.0% |
     Symmetrize density:                     0.000     0.000   0.0% |
   Energy and gradients:                  1456.936    25.069   0.7% |
    KS e/g grid calculations:              141.987    10.491   0.3% |
     Apply hamiltonian:                    131.497   131.497   3.8% |-|
    SIC e/g grid calculations:            1271.587    22.732   0.7% |
     Get Pseudo Potential:                1008.812  1008.812  29.5% |-----------|
     PAW:                                  240.044   240.044   7.0% |--|
    Unitary gradients:                      18.293    18.293   0.5% |
   Hamiltonian:                              5.056     0.005   0.0% |
    Atomic:                                  0.000     0.000   0.0% |
     XC Correction:                          0.000     0.000   0.0% |
    Calculate atomic Hamiltonians:           0.001     0.001   0.0% |
    Communicate:                             0.164     0.164   0.0% |
    Hartree integrate/restrict:              0.165     0.165   0.0% |
    New Kinetic Energy:                      0.438     0.438   0.0% |
    Poisson:                                 0.883     0.042   0.0% |
     Communicate from 1D:                    0.141     0.141   0.0% |
     Communicate from 2D:                    0.161     0.161   0.0% |
     Communicate to 1D:                      0.126     0.126   0.0% |
     Communicate to 2D:                      0.180     0.180   0.0% |
     FFT 1D:                                 0.074     0.074   0.0% |
     FFT 2D:                                 0.159     0.159   0.0% |
    XC 3D grid:                              3.389     3.389   0.1% |
    vbar:                                    0.012     0.012   0.0% |
   Unitary matrix:                           0.234     0.234   0.0% |
   Update Kohn-Sham energy:                754.958     0.023   0.0% |
    Density:                                44.908     0.014   0.0% |
     Atomic density matrices:                7.894     7.894   0.2% |
     Mix:                                   27.557    27.557   0.8% |
     Multipole moments:                      0.226     0.226   0.0% |
     Pseudo density:                         9.217     9.205   0.3% |
      Symmetrize density:                    0.012     0.012   0.0% |
    Hamiltonian:                           710.026     1.281   0.0% |
     Atomic:                                 0.165     0.163   0.0% |
      XC Correction:                         0.002     0.002   0.0% |
     Calculate atomic Hamiltonians:          0.147     0.147   0.0% |
     Communicate:                           25.182    25.182   0.7% |
     Hartree integrate/restrict:            25.719    25.719   0.8% |
     New Kinetic Energy:                    37.772    37.772   1.1% |
     Poisson:                              118.366     5.189   0.2% |
      Communicate from 1D:                  18.309    18.309   0.5% |
      Communicate from 2D:                  17.207    17.207   0.5% |
      Communicate to 1D:                    19.123    19.123   0.6% |
      Communicate to 2D:                    19.372    19.372   0.6% |
      FFT 1D:                               12.570    12.570   0.4% |
      FFT 2D:                               26.597    26.597   0.8% |
     XC 3D grid:                           498.261   498.261  14.6% |-----|
     vbar:                                   3.133     3.133   0.1% |
   projections:                              0.000     0.000   0.0% |
  Orthonormalize:                            8.377     0.029   0.0% |
   calc_s_matrix:                            1.553     1.553   0.0% |
   inverse-cholesky:                         2.366     2.366   0.1% |
   projections:                              0.013     0.013   0.0% |
   rotate_psi_s:                             4.416     4.416   0.1% |
 Inner loop:                                17.190     1.034   0.0% |
  Energy and gradients:                     10.983     0.161   0.0% |
   KS e/g grid calculations:                 1.090     0.070   0.0% |
    Apply hamiltonian:                       1.020     1.020   0.0% |
   SIC e/g grid calculations:                9.563     0.172   0.0% |
    Get Pseudo Potential:                    7.536     7.536   0.2% |
    PAW:                                     1.855     1.855   0.1% |
   Unitary gradients:                        0.169     0.169   0.0% |
  Unitary matrix:                            0.002     0.002   0.0% |
  Update Kohn-Sham energy:                   5.171     0.000   0.0% |
   Density:                                  0.265     0.000   0.0% |
    Atomic density matrices:                 0.034     0.034   0.0% |
    Mix:                                     0.173     0.173   0.0% |
    Multipole moments:                       0.000     0.000   0.0% |
    Pseudo density:                          0.058     0.058   0.0% |
     Symmetrize density:                     0.000     0.000   0.0% |
   Hamiltonian:                              4.906     0.010   0.0% |
    Atomic:                                  0.001     0.001   0.0% |
     XC Correction:                          0.000     0.000   0.0% |
    Calculate atomic Hamiltonians:           0.001     0.001   0.0% |
    Communicate:                             0.192     0.192   0.0% |
    Hartree integrate/restrict:              0.149     0.149   0.0% |
    New Kinetic Energy:                      0.273     0.273   0.0% |
    Poisson:                                 0.776     0.037   0.0% |
     Communicate from 1D:                    0.126     0.126   0.0% |
     Communicate from 2D:                    0.131     0.131   0.0% |
     Communicate to 1D:                      0.108     0.108   0.0% |
     Communicate to 2D:                      0.106     0.106   0.0% |
     FFT 1D:                                 0.092     0.092   0.0% |
     FFT 2D:                                 0.176     0.176   0.0% |
    XC 3D grid:                              3.481     3.481   0.1% |
    vbar:                                    0.024     0.024   0.0% |
 Orthonormalize:                             0.178     0.000   0.0% |
  Orthonormalize:                            0.178     0.001   0.0% |
   calc_s_matrix:                            0.024     0.024   0.0% |
   inverse-cholesky:                         0.090     0.090   0.0% |
   projections:                              0.000     0.000   0.0% |
   rotate_psi_s:                             0.063     0.063   0.0% |
 SIC e/g grid calculations:                  2.389     0.064   0.0% |
  Get Pseudo Potential:                      1.846     1.846   0.1% |
  PAW:                                       0.480     0.480   0.0% |
Set symmetry:                                0.000     0.000   0.0% |
Other:                                     170.550   170.550   5.0% |-|
-------------------------------------------------------------------
Total:                                              3419.175 100.0%

Memory usage: 2.20 GiB
Date: Fri Aug 25 15:12:01 2023
