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

User:   aes38@compute-27
Date:   Fri Oct  6 22:03:21 2023
Arch:   x86_64
Pid:    47399
CWD:    /users/home/aes38/Rydberg/new/water/complex/sic/thirdext
Python: 3.9.6
gpaw:   /users/home/aes38/new-gmf-gpaw/gpaw (f5d5d6d24c)
_gpaw:  /users/home/aes38/new-gmf-gpaw/build/lib.linux-x86_64-3.9/
        _gpaw.cpython-39-x86_64-linux-gnu.so (7a0e975e9f)
ase:    /hpcapps/source/ase_dev/ase (version 3.23.0b1-d4c62f2276)
numpy:  /users/home/eojons/easybuild/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/numpy (version 1.22.3)
scipy:  /users/home/eojons/easybuild/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/scipy (version 1.8.0)
libxc:  5.1.6
units:  Angstrom and eV
cores: 48
OpenMP: False
OMP_NUM_THREADS: 1

Reading from /users/home/aes38/Rydberg/new/water/complex/lcao/thirdext/triplet.gpw
Read dipole, energy, free_energy, magmom, magmoms
Reading input parameters:
  basis: aug-cc-pVDZ_PBE.sz
  eigensolver: {checkgraderror: False,
                constraints: [[], []],
                excited_state: True,
                functional: ks,
                linesearch_algo: {'name': 'max-step', 'max_step': 0.2},
                localizationseed: None,
                localizationtype: None,
                matrix_exp: pade-approx,
                name: etdm-lcao,
                need_init_orbs: False,
                need_localization: False,
                orthonormalization: gramschmidt,
                randomizeorbitals: False,
                representation: sparse,
                searchdir_algo: {'name': 'l-sr1p', 'memory': 20, 'method': 'LSR1'},
                subspace_convergence: 0.0005,
                update_precond_counter: 1000,
                update_ref_orbs_canonical: False,
                update_ref_orbs_counter: 20,
                use_prec: True}
  h: 0.15
  maxiter: 1000
  mixer: {backend: no-mixing}
  mode: {force_complex_dtype: True,
         interpolation: 3,
         name: lcao}
  nbands: nao
  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}
  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: LCAO
  Diagonalizer: Serial LAPACK
  Atomic Correction: dense with blas
  Data-type: complex
 

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

Eigensolver
   Direct minimisation using exponential transformation.
       Search direction: Limited-memory SR1P 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: 135.42 MiB
Attribute error: AttributeError("'LCAOETDM' object has no attribute 'estimate_memory'")
Some object probably lacks estimate_memory() method
Memory breakdown may be incomplete
  Calculator: 24.74 MiB
    Density: 13.83 MiB
      Arrays: 13.77 MiB
      Localized functions: 0.06 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 10.23 MiB
      Arrays: 10.23 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.00 MiB
    Wavefunctions: 0.68 MiB
      C [qnM]: 0.02 MiB
      S, T [2 x qmm]: 0.05 MiB
      P [aqMi]: 0.00 MiB
      BasisFunctions: 0.61 MiB

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

Number of atoms: 3
Number of atomic orbitals: 40
Number of bands in calculation: 40
Number of valence electrons: 8
Bands to converge: occupied

... initialized

Input parameters:
  convergence: {eigenstates: 1e-06}
  eigensolver: {checkgraderror: False,
                constraints: None,
                excited_state: True,
                functional: PZ-SIC,
                linesearch_algo: {'name': 'max-step', 'max_step': 0.2},
                localizationseed: None,
                localizationtype: PM_PZ,
                matrix_exp: pade-approx,
                name: etdm-lcao,
                need_init_orbs: False,
                need_localization: True,
                orthonormalization: gramschmidt,
                randomizeorbitals: False,
                representation: sparse,
                searchdir_algo: {'name': 'l-sr1p', 'memory': 20, 'method': 'LSR1'},
                subspace_convergence: 0.0005,
                update_precond_counter: 1000,
                update_ref_orbs_canonical: False,
                update_ref_orbs_counter: 20,
                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: Limited-memory SR1P 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: 181.48 MiB
Attribute error: AttributeError("'LCAOETDM' object has no attribute 'estimate_memory'")
Some object probably lacks estimate_memory() method
Memory breakdown may be incomplete
  Calculator: 24.74 MiB
    Density: 13.83 MiB
      Arrays: 13.77 MiB
      Localized functions: 0.06 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 10.23 MiB
      Arrays: 10.23 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.00 MiB
    Wavefunctions: 0.68 MiB
      C [qnM]: 0.02 MiB
      S, T [2 x qmm]: 0.05 MiB
      P [aqMi]: 0.00 MiB
      BasisFunctions: 0.61 MiB

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

Number of atoms: 3
Number of atomic orbitals: 40
Number of bands in calculation: 40
Number of valence electrons: 8
Bands to converge: occupied

... initialized

Initializing position-dependent things.

              .------------------------------------------------.  
             /|                                                |  
            / |                                                |  
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 *            |                                                |  
 |            |                                                |  
 |            |                                                |  
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 |            |                                                |  
 |            |                 O                              |  
 |            |                 H                              |  
 |            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            .------------------------------------------------.  
 |           /                                                /   
 |          /                                                /    
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 |/                                                /              
 *------------------------------------------------*               

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

Initial localization: ...
Pipek-Mezey localization started
Pipek-Mezey localization finished
Done
     iter     time        total  log10-change:  magmom
                         energy  eigst   dens
iter:   1 22:03:30     1.679123         -15.55c   -2.0000
iter:   2 22:03:34     1.363521         -15.42c   -2.0000
iter:   3 22:03:39     1.353538         -15.42c   -2.0000
iter:   4 22:03:44     1.349264         -15.42c   -2.0000
iter:   5 22:03:48     1.349195         -15.51c   -2.0000
iter:   6 22:03:53     1.345308c        -15.40c   -2.0000
iter:   7 22:03:58     1.349244c        -15.57c   -2.0000
iter:   8 22:04:02     1.349225c        -15.35c   -2.0000
iter:   9 22:04:07     1.349113c        -15.45c   -2.0000
iter:  10 22:04:12     1.349234c        -15.53c   -2.0000
iter:  11 22:04:16     1.349221c        -15.49c   -2.0000
iter:  12 22:04:21     2.106197  +2.25  -1.43    -2.0000
iter:  13 22:04:26     1.496526  +1.51  -1.73    -2.0000
iter:  14 22:04:30     2.547452  +2.47  -1.65    -2.0000
iter:  15 22:04:35     1.263716  +1.39  -1.63    -2.0000
iter:  16 22:04:40     1.188298  +1.36  -2.29    -2.0000
iter:  17 22:04:44     2.151065  +2.49  -1.63    -2.0000
iter:  18 22:04:49     1.141386  +1.13  -1.62    -2.0000
iter:  19 22:04:54     1.148144  +1.01  -2.68    -2.0000
iter:  20 22:04:59     2.086862  +2.15  -1.78    -2.0000
iter:  21 22:05:03     1.585475  +1.88  -2.04    -2.0000
iter:  22 22:05:08     1.493955  +2.03  -1.97    -2.0000
iter:  23 22:05:13     2.024547  +2.36  -2.05    -2.0000
iter:  24 22:05:17     1.117430  +1.15  -1.75    -2.0000
iter:  25 22:05:22     1.080313  +0.99  -2.87    -2.0000
iter:  26 22:05:27     1.123300  +1.12  -2.75    -2.0000
iter:  27 22:05:32     1.334384  +1.63  -1.96    -2.0000
iter:  28 22:05:36     1.536663  +1.83  -1.67    -2.0000
iter:  29 22:05:41     1.511288  +1.85  -1.88    -2.0000
iter:  30 22:05:46     1.306336  +1.40  -1.85    -2.0000
iter:  31 22:05:50     1.424448  +1.43  -1.57    -2.0000
iter:  32 22:05:55     2.007315  +2.16  -1.65    -2.0000
iter:  33 22:06:00     1.661449  +1.80  -1.59    -2.0000
iter:  34 22:06:04     1.262509  +1.01  -1.64    -2.0000
iter:  35 22:06:09     1.379681  +1.40  -2.18    -2.0000
iter:  36 22:06:14     1.313921  +1.41  -2.16    -2.0000
iter:  37 22:06:18     1.288581  +1.06  -1.48    -2.0000
iter:  38 22:06:23     1.218263  +0.51  -2.21    -2.0000
iter:  39 22:06:28     2.191828  +1.99  -2.01    -2.0000
iter:  40 22:06:32     1.451493  +1.80  -2.07    -2.0000
iter:  41 22:06:37     2.160578  +2.16  -1.96    -2.0000
iter:  42 22:06:42     1.295644  +1.33  -2.06    -2.0000
iter:  43 22:06:46     1.297707  +1.31  -2.34    -2.0000
iter:  44 22:06:51     2.357376  +2.48  -1.85    -2.0000
iter:  45 22:06:56     1.366968  +1.33  -1.85    -2.0000
iter:  46 22:07:00     1.210375  +0.49  -2.33    -2.0000
iter:  47 22:07:05     1.196764  +0.13  -2.72    -2.0000
iter:  48 22:07:10     1.209195  +0.75  -2.50    -2.0000
iter:  49 22:07:14     1.189228  -0.05  -2.58    -2.0000
iter:  50 22:07:19     1.193262  +0.16  -3.52    -2.0000
iter:  51 22:07:24     1.458833  +1.51  -2.13    -2.0000
iter:  52 22:07:28     1.595172  +1.97  -1.47    -2.0000
iter:  53 22:07:33     1.271203  +1.35  -1.57    -2.0000
iter:  54 22:07:38     1.378234  +1.42  -1.64    -2.0000
iter:  55 22:07:43     1.175010  +0.13  -1.95    -2.0000
iter:  56 22:07:47     1.166680  -0.23  -2.86    -2.0000
iter:  57 22:07:52     1.174746  +0.02  -2.58    -2.0000
iter:  58 22:07:57     1.278351  +1.07  -2.10    -2.0000
iter:  59 22:08:01     1.233285  +1.00  -2.28    -2.0000
iter:  60 22:08:06     1.180591  +0.58  -2.91    -2.0000
iter:  61 22:08:11     1.231757  +1.11  -2.61    -2.0000
iter:  62 22:08:15     1.179178  +0.34  -2.36    -2.0000
iter:  63 22:08:20     1.178470  +0.49  -2.95    -2.0000
iter:  64 22:08:25     1.264871  +1.46  -2.32    -2.0000
iter:  65 22:08:29     1.166611  -0.22  -2.31    -2.0000
iter:  66 22:08:34     1.165284  -0.34  -3.40    -2.0000
iter:  67 22:08:39     1.167170c -0.26  -3.25    -2.0000
iter:  68 22:08:43     1.176290  +0.20  -2.89    -2.0000
iter:  69 22:08:48     1.257175  +1.22  -2.34    -2.0000
iter:  70 22:08:53     1.181201  +0.43  -2.30    -2.0000
iter:  71 22:08:57     1.183588  +0.28  -2.58    -2.0000
iter:  72 22:09:02     1.363519  +1.65  -1.76    -2.0000
iter:  73 22:09:07     1.213902  +1.00  -1.81    -2.0000
iter:  74 22:09:11     1.235431  +0.84  -1.65    -2.0000
iter:  75 22:09:16     1.185009  +0.54  -2.31    -2.0000
iter:  76 22:09:21     1.296890  +1.14  -2.15    -2.0000
iter:  77 22:09:25     1.858914  +1.86  -1.97    -2.0000
iter:  78 22:09:30     1.885441  +1.95  -2.12    -2.0000
iter:  79 22:09:35     1.956858  +2.25  -1.90    -2.0000
iter:  80 22:09:39     2.179426  +2.09  -1.83    -2.0000
iter:  81 22:09:44     1.613247  +1.88  -1.82    -2.0000
iter:  82 22:09:49     1.429828  +1.91  -2.10    -2.0000
iter:  83 22:09:54     2.311614  +2.43  -1.80    -2.0000
iter:  84 22:09:58     1.217806  +1.10  -1.69    -2.0000
iter:  85 22:10:03     1.164682  +0.96  -2.27    -2.0000
iter:  86 22:10:08     1.116432  +0.73  -2.57    -2.0000
iter:  87 22:10:12     1.157050  +1.22  -2.99    -2.0000
iter:  88 22:10:17     1.174810  +1.00  -2.57    -2.0000
iter:  89 22:10:22     1.178645  +0.94  -2.43    -2.0000
iter:  90 22:10:26     1.431098  +1.53  -2.25    -2.0000
iter:  91 22:10:31     1.774276  +2.20  -1.63    -2.0000
iter:  92 22:10:36     1.303160  +1.30  -1.75    -2.0000
iter:  93 22:10:40     1.282543  +0.67  -2.08    -2.0000
iter:  94 22:10:45     1.303558  +0.87  -2.13    -2.0000
iter:  95 22:10:50     1.248819  +0.02  -2.60    -2.0000
iter:  96 22:10:54     1.374821  +1.04  -2.12    -2.0000
iter:  97 22:10:59     1.373829  +1.44  -2.18    -2.0000
iter:  98 22:11:04     1.390863  +1.23  -2.29    -2.0000
iter:  99 22:11:08     1.425620  +1.58  -2.00    -2.0000
iter: 100 22:11:13     1.266939  +0.90  -2.04    -2.0000
iter: 101 22:11:18     1.267201  +1.06  -2.54    -2.0000
iter: 102 22:11:22     1.431069  +1.73  -2.14    -2.0000
iter: 103 22:11:27     1.231911  +0.28  -2.01    -2.0000
iter: 104 22:11:32     1.225713  +0.19  -3.40    -2.0000
iter: 105 22:11:36     1.236212  +0.34  -2.98    -2.0000
iter: 106 22:11:41     1.258554  +0.94  -2.78    -2.0000
iter: 107 22:11:46     1.261983  +0.82  -2.62    -2.0000
iter: 108 22:11:50     1.299687  +0.79  -2.28    -2.0000
iter: 109 22:11:55     1.334425  +0.92  -2.52    -2.0000
iter: 110 22:12:00     1.276685  +0.15  -2.21    -2.0000
iter: 111 22:12:05     1.275370  +0.71  -2.52    -2.0000
iter: 112 22:12:09     1.282526  +0.36  -3.07    -2.0000
iter: 113 22:12:14     1.263498  -0.07  -3.12    -2.0000
iter: 114 22:12:19     1.267506  -0.04  -3.26    -2.0000
iter: 115 22:12:23     1.405337  +1.33  -2.04    -2.0000
iter: 116 22:12:28     1.681942  +1.94  -2.20    -2.0000
iter: 117 22:12:33     1.824640  +1.92  -1.79    -2.0000
iter: 118 22:12:37     1.309106  +1.04  -1.92    -2.0000
iter: 119 22:12:42     1.299084  +1.17  -2.55    -2.0000
iter: 120 22:12:47     1.441423  +1.50  -2.37    -2.0000
iter: 121 22:12:51     1.274009  +0.62  -2.46    -2.0000
iter: 122 22:12:56     1.241059  +0.04  -2.59    -2.0000
iter: 123 22:13:01     1.264772  +0.39  -2.86    -2.0000
iter: 124 22:13:05     2.200451  +2.23  -1.85    -2.0000
iter: 125 22:13:10     1.281684  +0.65  -1.92    -2.0000
iter: 126 22:13:15     1.394164  +1.32  -2.33    -2.0000
iter: 127 22:13:19     1.381599  +1.05  -2.17    -2.0000
iter: 128 22:13:24     1.507898  +1.55  -2.17    -2.0000
iter: 129 22:13:29     2.154276  +2.37  -1.63    -2.0000
iter: 130 22:13:33     1.323823  +0.51  -1.62    -2.0000
iter: 131 22:13:38     1.316220  +0.47  -2.50    -2.0000
iter: 132 22:13:43     1.288636  -0.05  -2.78    -2.0000
iter: 133 22:13:47     1.299218  +0.19  -2.98    -2.0000
iter: 134 22:13:52     1.570951  +1.63  -1.99    -2.0000
iter: 135 22:13:57     2.260065  +2.24  -1.96    -2.0000
iter: 136 22:14:01     2.309822  +2.22  -1.73    -2.0000
iter: 137 22:14:06     1.312352  +0.87  -1.90    -2.0000
iter: 138 22:14:11     1.272664  +0.38  -2.59    -2.0000
iter: 139 22:14:15     1.263268  +0.27  -3.13    -2.0000
iter: 140 22:14:20     1.281390  +0.60  -2.88    -2.0000
iter: 141 22:14:25     1.353761  +1.41  -2.43    -2.0000
iter: 142 22:14:29     1.396225  +0.98  -2.40    -2.0000
iter: 143 22:14:34     1.389239  +1.15  -2.20    -2.0000
iter: 144 22:14:39     1.679171  +1.98  -1.91    -2.0000
iter: 145 22:14:44     1.408441  +1.49  -2.05    -2.0000
iter: 146 22:14:48     1.366601  +0.97  -2.08    -2.0000
iter: 147 22:14:53     1.350313  +0.57  -2.03    -2.0000
iter: 148 22:14:58     1.409329  +1.16  -2.48    -2.0000
iter: 149 22:15:03     1.664834  +1.98  -1.91    -2.0000
iter: 150 22:15:07     1.335654  +0.22  -1.90    -2.0000
iter: 151 22:15:12     1.324018  +0.03  -2.99    -2.0000
iter: 152 22:15:17     1.329330  +0.13  -3.36    -2.0000
iter: 153 22:15:21     1.676062  +1.57  -2.02    -2.0000
iter: 154 22:15:26     1.456516  +1.60  -2.19    -2.0000
iter: 155 22:15:31     2.573361  +2.20  -1.93    -2.0000
iter: 156 22:15:35     1.323596  +0.75  -1.94    -2.0000
iter: 157 22:15:40     1.320798  +0.95  -2.71    -2.0000
iter: 158 22:15:45     1.383338  +1.52  -2.24    -2.0000
iter: 159 22:15:49     1.301659  +0.55  -2.21    -2.0000
iter: 160 22:15:54     1.298532  +0.53  -3.65    -2.0000
iter: 161 22:15:59     1.371792  +0.92  -2.72    -2.0000
iter: 162 22:16:03     1.419766  +1.55  -2.38    -2.0000
iter: 163 22:16:08     1.457480  +1.27  -2.02    -2.0000
iter: 164 22:16:13     1.417713  +1.07  -2.30    -2.0000
iter: 165 22:16:17     1.416771  +0.77  -2.18    -2.0000
iter: 166 22:16:22     1.636638  +1.61  -2.32    -2.0000
iter: 167 22:16:27     2.097753  +2.27  -2.02    -2.0000
iter: 168 22:16:31     1.453611  +0.91  -1.96    -2.0000
iter: 169 22:16:36     1.381153  +0.40  -2.38    -2.0000
iter: 170 22:16:41     1.361032  +0.07  -2.80    -2.0000
iter: 171 22:16:46     1.414264  +0.65  -2.41    -2.0000
iter: 172 22:16:50     2.249532  +1.98  -1.80    -2.0000
iter: 173 22:16:55     2.210779  +2.16  -1.78    -2.0000
iter: 174 22:17:00     2.139368  +2.20  -2.04    -2.0000
iter: 175 22:17:04     1.957185  +1.97  -1.75    -2.0000
iter: 176 22:17:09     1.377803  +0.98  -2.06    -2.0000
iter: 177 22:17:14     1.358030  +0.99  -2.45    -2.0000
iter: 178 22:17:18     1.371503  +1.23  -2.81    -2.0000
iter: 179 22:17:23     1.350512  +0.73  -2.50    -2.0000
iter: 180 22:17:28     1.338346  +0.72  -3.15    -2.0000
iter: 181 22:17:32     2.303984  +2.28  -1.87    -2.0000
iter: 182 22:17:37     1.433448  +1.30  -1.84    -2.0000
iter: 183 22:17:42     1.407261  +0.90  -2.39    -2.0000
iter: 184 22:17:46     1.541438  +1.28  -2.16    -2.0000
iter: 185 22:17:51     1.781392  +1.63  -2.09    -2.0000
iter: 186 22:17:56     1.626002  +1.62  -1.78    -2.0000
iter: 187 22:18:00     2.049902  +2.04  -2.00    -2.0000
iter: 188 22:18:05     1.457997  +0.58  -1.98    -2.0000
iter: 189 22:18:10     1.492741  +0.77  -2.68    -2.0000
iter: 190 22:18:14     1.589138  +1.09  -2.09    -2.0000
iter: 191 22:18:19     2.286003  +2.00  -1.81    -2.0000
iter: 192 22:18:24     2.517967  +2.24  -1.94    -2.0000
iter: 193 22:18:29     3.485153  +2.73  -1.77    -2.0000
iter: 194 22:18:33     1.808024  +1.91  -1.79    -2.0000
iter: 195 22:18:38     1.541314  +1.26  -1.85    -2.0000
iter: 196 22:18:43     1.474164  +1.14  -2.33    -2.0000
iter: 197 22:18:47     1.435926  +1.18  -2.64    -2.0000
iter: 198 22:18:52     1.540232  +1.09  -2.52    -2.0000
iter: 199 22:18:57     1.421657  +0.85  -2.52    -2.0000
iter: 200 22:19:01     1.431097  +0.81  -3.03    -2.0000
iter: 201 22:19:06     2.453660  +2.22  -1.97    -2.0000
iter: 202 22:19:11     1.791002  +1.87  -2.00    -2.0000
iter: 203 22:19:15     1.558142  +1.22  -2.13    -2.0000
iter: 204 22:19:20     1.619802  +1.27  -2.43    -2.0000
iter: 205 22:19:25     1.753146  +1.49  -1.91    -2.0000
iter: 206 22:19:29     2.164370  +2.16  -1.72    -2.0000
iter: 207 22:19:34     1.905310  +1.76  -1.75    -2.0000
iter: 208 22:19:39     1.650651  +0.88  -1.88    -2.0000
iter: 209 22:19:43     1.608024  +0.63  -2.69    -2.0000
iter: 210 22:19:48     2.488076  +2.18  -1.71    -2.0000
iter: 211 22:19:53     1.611869  +1.27  -1.91    -2.0000
iter: 212 22:19:58     2.595632  +2.29  -1.71    -2.0000
iter: 213 22:20:02     1.684025  +1.24  -1.72    -2.0000
iter: 214 22:20:07     1.543156  +0.96  -2.31    -2.0000
iter: 215 22:20:12     1.511549  +0.84  -2.82    -2.0000
iter: 216 22:20:16     2.467237  +2.38  -1.76    -2.0000
iter: 217 22:20:21     1.670120  +1.68  -1.78    -2.0000
iter: 218 22:20:26     1.597397  +1.20  -2.17    -2.0000
iter: 219 22:20:31     2.214923  +2.27  -1.86    -2.0000
iter: 220 22:20:35     1.845482  +1.78  -1.94    -2.0000
iter: 221 22:20:40     1.873877  +1.52  -2.19    -2.0000
iter: 222 22:20:45     2.114843  +1.76  -2.09    -2.0000
iter: 223 22:20:49     2.032418  +1.48  -1.81    -2.0000
iter: 224 22:20:54     1.990689  +1.65  -1.76    -2.0000
iter: 225 22:20:59     2.344367  +2.03  -1.71    -2.0000
iter: 226 22:21:03     1.789758  +0.80  -1.80    -2.0000
iter: 227 22:21:08     1.881040  +0.99  -2.58    -2.0000
iter: 228 22:21:13     2.560360  +1.78  -1.71    -2.0000
iter: 229 22:21:17     2.235802  +1.30  -2.15    -2.0000
iter: 230 22:21:22     2.806529  +2.04  -1.92    -2.0000
iter: 231 22:21:27     2.495333  +2.00  -1.95    -2.0000
iter: 232 22:21:31     3.579229  +2.54  -1.87    -2.0000
iter: 233 22:21:36     2.406088  +1.99  -1.78    -2.0000
iter: 234 22:21:41     2.244756  +1.92  -1.97    -2.0000
iter: 235 22:21:45     1.988216  +1.99  -2.07    -2.0000
iter: 236 22:21:50     2.083374  +1.65  -1.97    -2.0000
iter: 237 22:21:55     1.772893  +1.32  -2.01    -2.0000
iter: 238 22:21:59     1.824742  +1.28  -2.65    -2.0000
iter: 239 22:22:04     1.830520  +1.55  -2.25    -2.0000
iter: 240 22:22:09     2.070933  +1.73  -2.38    -2.0000
iter: 241 22:22:14     2.619804  +1.98  -2.08    -2.0000
iter: 242 22:22:18     2.616617  +1.72  -2.19    -2.0000
iter: 243 22:22:23     2.717277  +1.55  -1.72    -2.0000
iter: 244 22:22:28     3.035295  +1.92  -1.79    -2.0000
iter: 245 22:22:32     3.189128  +1.84  -1.77    -2.0000
iter: 246 22:22:37     2.719608  +1.49  -1.83    -2.0000
iter: 247 22:22:42     2.748961  +1.52  -2.99    -2.0000
iter: 248 22:22:46     3.045135  +1.90  -1.83    -2.0000
iter: 249 22:22:51     3.590039  +2.42  -1.79    -2.0000
iter: 250 22:22:56     3.775706  +2.26  -2.00    -2.0000
iter: 251 22:23:00     3.209778  +2.10  -1.81    -2.0000
iter: 252 22:23:05     2.682434  +2.16  -1.90    -2.0000
iter: 253 22:23:10     3.462599  +2.48  -1.70    -2.0000
iter: 254 22:23:14     2.317651  +1.75  -1.62    -2.0000
iter: 255 22:23:19     2.201112  +1.53  -2.17    -2.0000
iter: 256 22:23:24     2.495353  +1.66  -2.25    -2.0000
iter: 257 22:23:28     2.318285  +1.79  -2.06    -2.0000
iter: 258 22:23:33     3.345280  +2.16  -1.86    -2.0000
iter: 259 22:23:38     3.543129  +2.01  -1.83    -2.0000
iter: 260 22:23:42     3.769358  +1.83  -1.78    -2.0000
iter: 261 22:23:47     4.269543  +1.95  -1.91    -2.0000
iter: 262 22:23:52     4.415021  +1.88  -1.85    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 263 22:23:58     3.527554  +2.26  -1.43    -2.0000
iter: 264 22:24:03     2.322538  +1.95  -1.44    -2.0000
iter: 265 22:24:07     1.753847  +1.70  -1.47    -2.0000
iter: 266 22:24:12     1.864191  +2.05  -1.56    -2.0000
iter: 267 22:24:17     1.884240  +2.28  -1.52    -2.0000
iter: 268 22:24:21     1.872131  +2.30  -2.13    -2.0000
iter: 269 22:24:26     1.879803  +2.23  -1.78    -2.0000
iter: 270 22:24:31     1.935202  +2.21  -2.23    -2.0000
iter: 271 22:24:35     1.795948  +2.21  -1.61    -2.0000
iter: 272 22:24:40     1.792213  +2.30  -1.69    -2.0000
iter: 273 22:24:45     1.768727  +2.39  -1.75    -2.0000
iter: 274 22:24:50     1.826264  +2.43  -1.87    -2.0000
iter: 275 22:24:54     1.953145  +2.47  -1.58    -2.0000
iter: 276 22:24:59     1.822042  +2.42  -1.60    -2.0000
iter: 277 22:25:04     1.774041  +2.44  -1.97    -2.0000
iter: 278 22:25:08     1.693571  +2.40  -1.81    -2.0000
iter: 279 22:25:13     1.740195  +2.40  -1.65    -2.0000
iter: 280 22:25:18     1.716408  +2.39  -1.61    -2.0000
iter: 281 22:25:22     1.664006  +2.33  -1.56    -2.0000
iter: 282 22:25:27     1.803134  +2.13  -1.65    -2.0000
iter: 283 22:25:32     1.476169  +1.68  -1.52    -2.0000
iter: 284 22:25:36     1.252886  +1.42  -1.54    -2.0000
iter: 285 22:25:41     1.321402  +1.51  -1.62    -2.0000
iter: 286 22:25:46     1.197477  +1.38  -1.49    -2.0000
iter: 287 22:25:50     1.278015  +1.25  -1.46    -2.0000
iter: 288 22:25:55     1.130651  +1.49  -1.60    -2.0000
iter: 289 22:26:00     1.406856  +1.72  -1.48    -2.0000
iter: 290 22:26:04     1.267852  +1.83  -1.56    -2.0000
iter: 291 22:26:09     1.486887  +1.85  -1.55    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 292 22:26:15     1.770135  +1.58  -1.59    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 293 22:26:22     1.357700  +1.49  -1.47    -2.0000
iter: 294 22:26:26     1.047275  +1.18  -1.57    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 22:26:32     0.843697  +1.27  -1.56    -2.0000
iter: 296 22:26:37     1.051959  +1.24  -1.62    -2.0000
iter: 297 22:26:42     1.066058  +1.05  -1.66    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 22:26:48     0.464864  +1.10  -1.55    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 22:26:54     0.555605  +0.86  -1.62    -2.0000
iter: 300 22:26:59     0.750395  +0.82  -1.62    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 22:27:05    -0.101890  +1.05  -1.60    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 22:27:11     0.364594  +0.67  -1.61    -2.0000
iter: 303 22:27:16     0.572528  +0.76  -1.59    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 22:27:22    -0.603221  +1.07  -1.65    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 22:27:28     0.288352  +0.58  -1.60    -2.0000
iter: 306 22:27:33     0.050397  +0.67  -1.61    -2.0000
iter: 307 22:27:38     0.288777  +0.62  -1.60    -2.0000
iter: 308 22:27:42     0.177671  +0.60  -1.62    -2.0000
iter: 309 22:27:47     0.065205  +0.53  -1.64    -2.0000
iter: 310 22:27:52     0.023980  +0.40  -1.65    -2.0000
iter: 311 22:27:57    -0.001699  +0.30  -1.66    -2.0000
iter: 312 22:28:01    -0.005211  +0.36  -1.63    -2.0000
iter: 313 22:28:06    -0.007551  +0.48  -1.80    -2.0000
iter: 314 22:28:11    -0.001139  +0.51  -2.65    -2.0000
iter: 315 22:28:15    -0.054702  +0.40  -1.84    -2.0000
iter: 316 22:28:20    -0.072903  +0.29  -1.73    -2.0000
iter: 317 22:28:25    -0.066429  +0.35  -2.10    -2.0000
iter: 318 22:28:29    -0.068979  +0.34  -2.69    -2.0000
iter: 319 22:28:34    -0.079905  +0.30  -1.91    -2.0000
iter: 320 22:28:39    -0.104166  +0.64  -1.91    -2.0000
iter: 321 22:28:43    -0.121423  +0.40  -2.30    -2.0000
iter: 322 22:28:48    -0.027456  +1.06  -1.89    -2.0000
iter: 323 22:28:53    -0.105921  +0.76  -2.11    -2.0000
iter: 324 22:28:58    -0.149764  +0.67  -1.58    -2.0000
iter: 325 22:29:02    -0.149972  +0.69  -3.68    -2.0000
iter: 326 22:29:07    -0.203574  +0.72  -1.67    -2.0000
iter: 327 22:29:12    -0.144858  +0.57  -1.83    -2.0000
iter: 328 22:29:16    -0.148810  +0.27  -2.36    -2.0000
iter: 329 22:29:21    -0.167875  +0.02  -2.13    -2.0000
iter: 330 22:29:26    -0.188306  +0.70  -1.57    -2.0000
iter: 331 22:29:30    -0.218351  +0.54  -1.86    -2.0000
iter: 332 22:29:35    -0.245670  +0.78  -1.49    -2.0000
iter: 333 22:29:40    -0.264673  +0.93  -1.74    -2.0000
iter: 334 22:29:44    -0.290893  +0.42  -1.54    -2.0000
iter: 335 22:29:49    -0.308903  +0.32  -1.57    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 22:29:55    -0.072383  +1.60  -1.62    -2.0000
iter: 337 22:30:00    -0.048833  +1.25  -1.66    -2.0000
iter: 338 22:30:05     0.062216  +1.37  -1.58    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 22:30:11    -0.314396  +1.02  -1.47    -2.0000
iter: 340 22:30:16    -0.351772  +0.86  -2.07    -2.0000
iter: 341 22:30:20    -0.306130  +0.08  -1.73    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 342 22:30:27    -1.164257  +1.39  -1.59    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 343 22:30:33    -0.221524  +1.10  -1.60    -2.0000
iter: 344 22:30:38    -0.199210  +0.95  -1.60    -2.0000
iter: 345 22:30:42    -0.348635  +0.84  -1.62    -2.0000
iter: 346 22:30:47    -0.378012  +0.65  -1.60    -2.0000
iter: 347 22:30:52    -0.338565  +0.58  -1.71    -2.0000
iter: 348 22:30:56    -0.309368  +0.57  -2.27    -2.0000
iter: 349 22:31:01    -0.254837  +0.14  -1.72    -2.0000
iter: 350 22:31:06    -0.260564  -0.18  -2.52    -2.0000
iter: 351 22:31:10    -0.264279  -0.41  -1.69    -2.0000
iter: 352 22:31:15    -0.263842c -0.59  -2.06    -2.0000
iter: 353 22:31:20    -0.244566  -0.46  -1.76    -2.0000
iter: 354 22:31:24    -0.266330  -0.69  -1.75    -2.0000
iter: 355 22:31:29    -0.260414  +0.13  -1.62    -2.0000
iter: 356 22:31:34    -0.280621  +0.08  -1.54    -2.0000
iter: 357 22:31:38    -0.291672  +0.02  -1.54    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 22:31:45     0.049911  +1.57  -1.60    -2.0000
iter: 359 22:31:49     0.004311  +1.34  -1.55    -2.0000
iter: 360 22:31:54    -0.110590  +1.14  -1.53    -2.0000
iter: 361 22:31:59    -0.248622  +0.94  -1.61    -2.0000
iter: 362 22:32:03    -0.285289  +0.94  -1.66    -2.0000
iter: 363 22:32:08    -0.301967  +0.56  -1.64    -2.0000
iter: 364 22:32:13    -0.299098  -0.18  -1.71    -2.0000
iter: 365 22:32:17    -0.301415c -0.52  -2.43    -2.0000
iter: 366 22:32:22    -0.301387c -0.73  -2.19    -2.0000
iter: 367 22:32:27    -0.300996c -0.78  -2.50    -2.0000
iter: 368 22:32:31    -0.302315c -0.62  -2.36    -2.0000
iter: 369 22:32:36    -0.254024  +0.79  -1.53    -2.0000
iter: 370 22:32:41    -0.297474  +0.17  -1.57    -2.0000
iter: 371 22:32:46    -0.301891  +0.53  -1.51    -2.0000
iter: 372 22:32:50    -0.324691  -0.37  -1.52    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 22:32:56    -0.185234  +1.30  -1.58    -2.0000
iter: 374 22:33:01    -0.145034  +1.27  -1.55    -2.0000
iter: 375 22:33:06    -0.182747  +1.04  -2.06    -2.0000
iter: 376 22:33:11    -0.299278  +0.17  -1.58    -2.0000
iter: 377 22:33:15    -0.300361  +0.32  -1.79    -2.0000
iter: 378 22:33:20    -0.281490  -0.33  -1.63    -2.0000
iter: 379 22:33:25    -0.282658  -0.35  -2.06    -2.0000
iter: 380 22:33:29    -0.283739c -0.91  -2.22    -2.0000
iter: 381 22:33:34    -0.284025c -1.39  -2.24    -2.0000
iter: 382 22:33:39    -0.282347c -0.92  -2.25    -2.0000
iter: 383 22:33:43    -0.300439  -0.32  -1.52    -2.0000
iter: 384 22:33:48    -0.278668  -0.56  -1.53    -2.0000
iter: 385 22:33:53    -0.292169  -0.76  -1.53    -2.0000
iter: 386 22:33:57    -0.300914  -0.86  -1.49    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 22:34:03    -0.233191  +1.15  -1.58    -2.0000
iter: 388 22:34:08    -0.154808  +1.33  -1.56    -2.0000
iter: 389 22:34:13    -0.200771  +1.10  -2.10    -2.0000
iter: 390 22:34:18    -0.386768  +0.69  -1.65    -2.0000
iter: 391 22:34:22    -0.301374  +0.02  -1.75    -2.0000
iter: 392 22:34:27    -0.306415  -0.69  -2.12    -2.0000
iter: 393 22:34:32    -0.305247  -0.72  -1.86    -2.0000
iter: 394 22:34:36    -0.305919c -0.97  -2.05    -2.0000
iter: 395 22:34:41    -0.306283c -0.89  -2.95    -2.0000
iter: 396 22:34:46    -0.308124c -0.48  -1.84    -2.0000
iter: 397 22:34:51    -0.307509c -0.43  -3.25    -2.0000
iter: 398 22:34:55    -0.316107  +0.15  -1.50    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 22:35:01    -0.233576  +1.07  -1.63    -2.0000
iter: 400 22:35:06    -0.153181  +1.18  -1.65    -2.0000
iter: 401 22:35:11    -0.198625  +0.86  -2.02    -2.0000
iter: 402 22:35:16    -0.356531  +0.68  -1.72    -2.0000
iter: 403 22:35:20    -0.280442  +0.26  -1.79    -2.0000
iter: 404 22:35:25    -0.285151  -0.61  -2.07    -2.0000
iter: 405 22:35:30    -0.284413  -0.36  -2.44    -2.0000
iter: 406 22:35:34    -0.284539c -0.35  -3.47    -2.0000
iter: 407 22:35:39    -0.286577c -1.26  -1.83    -2.0000
iter: 408 22:35:44    -0.286262c -1.07  -2.26    -2.0000
iter: 409 22:35:48    -0.281473  -0.69  -2.10    -2.0000
iter: 410 22:35:53    -0.289698  -0.70  -1.84    -2.0000
iter: 411 22:35:58    -0.295941  -0.80  -1.56    -2.0000
iter: 412 22:36:02    -0.259697  +0.37  -1.51    -2.0000
iter: 413 22:36:07    -0.291627  -0.20  -1.50    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 22:36:13    -0.220849  +1.02  -1.55    -2.0000
iter: 415 22:36:18    -0.151927  +1.36  -1.61    -2.0000
iter: 416 22:36:23    -0.219937  +1.06  -1.87    -2.0000
iter: 417 22:36:27    -0.309600  +0.03  -1.55    -2.0000
iter: 418 22:36:32    -0.320689  -0.41  -2.21    -2.0000
iter: 419 22:36:37    -0.315528  -0.77  -2.33    -2.0000
iter: 420 22:36:41    -0.318455  +0.43  -1.60    -2.0000
iter: 421 22:36:46    -0.309740  +0.38  -2.25    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 22:36:52    -0.239169  +1.22  -1.49    -2.0000
iter: 423 22:36:57    -0.242454  +1.22  -3.48    -2.0000
iter: 424 22:37:02    -0.232371  +0.41  -1.59    -2.0000
iter: 425 22:37:06    -0.302049  +0.32  -1.80    -2.0000
iter: 426 22:37:11    -0.280680  +0.53  -1.78    -2.0000
iter: 427 22:37:16    -0.275621  +0.60  -2.75    -2.0000
iter: 428 22:37:20    -0.289515  -0.46  -1.58    -2.0000
iter: 429 22:37:25    -0.288446  -0.36  -2.75    -2.0000
iter: 430 22:37:30    -0.291391c -1.26  -2.11    -2.0000
iter: 431 22:37:34    -0.291918c -0.67  -2.11    -2.0000
iter: 432 22:37:39    -0.292414c -0.84  -2.88    -2.0000
iter: 433 22:37:44    -0.295831c -0.16  -1.76    -2.0000
iter: 434 22:37:48    -0.288078  +0.35  -2.18    -2.0000
iter: 435 22:37:53    -0.300542  -0.47  -1.51    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 22:37:59    -0.079813  +1.26  -1.58    -2.0000
iter: 437 22:38:04    -0.129803  +1.11  -1.55    -2.0000
iter: 438 22:38:09    -0.115077  +1.49  -1.52    -2.0000
iter: 439 22:38:13    -0.058386  +1.71  -1.56    -2.0000
iter: 440 22:38:18    -0.068707  +1.84  -1.75    -2.0000
iter: 441 22:38:23     0.025539  +2.02  -1.58    -2.0000
iter: 442 22:38:27    -0.083830  +1.83  -1.58    -2.0000
iter: 443 22:38:32    -0.190494  +1.57  -1.56    -2.0000
iter: 444 22:38:37    -0.233755  +1.20  -1.58    -2.0000
iter: 445 22:38:41    -0.264258  +0.58  -1.62    -2.0000
iter: 446 22:38:46    -0.260259  +0.51  -1.65    -2.0000
iter: 447 22:38:51    -0.265592  +0.49  -2.52    -2.0000
iter: 448 22:38:55    -0.278258  -0.19  -1.79    -2.0000
iter: 449 22:39:00    -0.277506  -0.25  -2.39    -2.0000
iter: 450 22:39:05    -0.276345c -0.12  -2.59    -2.0000
iter: 451 22:39:09    -0.287864  +0.06  -1.58    -2.0000
iter: 452 22:39:14    -0.286717  +0.14  -3.04    -2.0000
iter: 453 22:39:19    -0.263653  +0.24  -1.58    -2.0000
iter: 454 22:39:23    -0.295901  +0.17  -1.58    -2.0000
iter: 455 22:39:28    -0.381110  +0.88  -1.56    -2.0000
iter: 456 22:39:33    -0.293005  +0.13  -1.72    -2.0000
iter: 457 22:39:38    -0.305660  -0.15  -2.03    -2.0000
iter: 458 22:39:42    -0.318759  +0.53  -1.56    -2.0000
iter: 459 22:39:47    -0.297861  +0.61  -2.21    -2.0000
iter: 460 22:39:52    -0.300937  -0.87  -1.69    -2.0000
iter: 461 22:39:56    -0.293931  -0.48  -1.93    -2.0000
iter: 462 22:40:01    -0.301347  -0.84  -1.91    -2.0000
iter: 463 22:40:06    -0.262275  +0.54  -1.55    -2.0000
iter: 464 22:40:11    -0.300725  -0.83  -1.57    -2.0000
iter: 465 22:40:15    -0.266206  -0.01  -1.59    -2.0000
iter: 466 22:40:20    -0.297557  -0.26  -1.60    -2.0000
iter: 467 22:40:25    -0.319333  -0.69  -1.51    -2.0000
iter: 468 22:40:29    -0.324847  -0.47  -1.50    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 22:40:35    -0.165976  +1.36  -1.56    -2.0000
iter: 470 22:40:40    -0.154756  +1.19  -1.53    -2.0000
iter: 471 22:40:45    -0.185081  +1.03  -2.08    -2.0000
iter: 472 22:40:49    -0.187754  +1.33  -1.60    -2.0000
iter: 473 22:40:54    -0.247254  +0.69  -1.53    -2.0000
iter: 474 22:40:59    -0.254450  +0.36  -1.57    -2.0000
iter: 475 22:41:03    -0.278722  -0.73  -1.66    -2.0000
iter: 476 22:41:08    -0.274482  -0.20  -2.32    -2.0000
iter: 477 22:41:13    -0.278738  -1.12  -2.05    -2.0000
iter: 478 22:41:17    -0.273598  -0.89  -1.92    -2.0000
iter: 479 22:41:22    -0.283251  -0.52  -1.57    -2.0000
iter: 480 22:41:27    -0.283565  -0.32  -1.77    -2.0000
iter: 481 22:41:31    -0.285036c -0.48  -2.47    -2.0000
iter: 482 22:41:36    -0.269468  -0.02  -1.56    -2.0000
iter: 483 22:41:41    -0.287177  -0.25  -1.52    -2.0000
iter: 484 22:41:45    -0.297825  -0.37  -1.50    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 22:41:52    -0.234761  +1.18  -1.57    -2.0000
iter: 486 22:41:56    -0.148163  +1.35  -1.58    -2.0000
iter: 487 22:42:01    -0.210964  +0.98  -1.93    -2.0000
iter: 488 22:42:06    -0.333519  +0.37  -1.78    -2.0000
iter: 489 22:42:10    -0.299312  -0.02  -2.02    -2.0000
iter: 490 22:42:15    -0.301926  -0.79  -2.22    -2.0000
iter: 491 22:42:20    -0.297736  -0.27  -2.08    -2.0000
iter: 492 22:42:24    -0.302787  -0.39  -2.17    -2.0000
iter: 493 22:42:29    -0.302068  -1.16  -2.03    -2.0000
iter: 494 22:42:34    -0.291405  -0.10  -1.87    -2.0000
iter: 495 22:42:38    -0.310710  -0.65  -1.52    -2.0000
iter: 496 22:42:43    -0.316311  +0.27  -1.52    -2.0000
iter: 497 22:42:48    -0.321188  -0.39  -1.51    -2.0000
iter: 498 22:42:52    -0.322044  -0.68  -1.56    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 22:42:59    -0.195008  +1.28  -1.57    -2.0000
iter: 500 22:43:03    -0.137945  +1.30  -1.55    -2.0000
iter: 501 22:43:08    -0.198239  +0.83  -1.86    -2.0000
iter: 502 22:43:13    -0.374008  +0.77  -1.70    -2.0000
iter: 503 22:43:17    -0.286055  +0.19  -1.67    -2.0000
iter: 504 22:43:22    -0.280745  +0.02  -2.29    -2.0000
iter: 505 22:43:27    -0.275957  -0.02  -2.29    -2.0000
iter: 506 22:43:31    -0.277752  -0.77  -2.09    -2.0000
iter: 507 22:43:36    -0.278312c -1.25  -2.34    -2.0000
iter: 508 22:43:41    -0.279176c -1.00  -2.29    -2.0000
iter: 509 22:43:45    -0.277710c -0.67  -2.57    -2.0000
iter: 510 22:43:50    -0.290231  -0.58  -1.54    -2.0000
iter: 511 22:43:55    -0.261004  -0.08  -1.63    -2.0000
iter: 512 22:43:59    -0.277016  -0.12  -1.50    -2.0000
iter: 513 22:44:04    -0.295020  -0.54  -1.51    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 22:44:10    -0.191958  +1.32  -1.56    -2.0000
iter: 515 22:44:15    -0.145404  +1.29  -1.51    -2.0000
iter: 516 22:44:20    -0.184751  +1.09  -2.16    -2.0000
iter: 517 22:44:24    -0.369986  +0.66  -1.65    -2.0000
iter: 518 22:44:29    -0.291272  -0.05  -1.81    -2.0000
iter: 519 22:44:34    -0.285682  +0.45  -2.06    -2.0000
iter: 520 22:44:38    -0.292325  -0.81  -1.72    -2.0000
iter: 521 22:44:43    -0.290331  -0.45  -2.39    -2.0000
iter: 522 22:44:48    -0.292191c -1.00  -2.10    -2.0000
iter: 523 22:44:53    -0.297367  -0.34  -1.84    -2.0000
iter: 524 22:44:57    -0.294946  -0.14  -2.59    -2.0000
iter: 525 22:45:02    -0.306586  -0.31  -1.54    -2.0000
iter: 526 22:45:07    -0.313494  -0.43  -1.79    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 22:45:13    -0.181234  +1.19  -1.58    -2.0000
iter: 528 22:45:17    -0.143120  +1.31  -1.54    -2.0000
iter: 529 22:45:22    -0.187026  +1.02  -1.96    -2.0000
iter: 530 22:45:27    -0.297630  +0.29  -1.62    -2.0000
iter: 531 22:45:31    -0.296238  +0.36  -1.60    -2.0000
iter: 532 22:45:36    -0.278079  -0.17  -1.64    -2.0000
iter: 533 22:45:41    -0.278245  -0.42  -2.21    -2.0000
iter: 534 22:45:46    -0.279584c -0.81  -2.35    -2.0000
iter: 535 22:45:50    -0.280244c -1.06  -2.18    -2.0000
iter: 536 22:45:55    -0.280323c -1.04  -3.49    -2.0000
iter: 537 22:46:00    -0.279292c -0.90  -2.75    -2.0000
iter: 538 22:46:04    -0.282699c -0.04  -1.51    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 22:46:10    -0.200345  +0.96  -1.59    -2.0000
iter: 540 22:46:15    -0.166629  +1.28  -1.55    -2.0000
iter: 541 22:46:20    -0.182394  +1.25  -2.58    -2.0000
iter: 542 22:46:24    -0.308343  +0.34  -1.60    -2.0000
iter: 543 22:46:29    -0.309163  +0.29  -2.05    -2.0000
iter: 544 22:46:34    -0.312573  -0.15  -1.86    -2.0000
iter: 545 22:46:38    -0.305421  -0.40  -1.85    -2.0000
iter: 546 22:46:43    -0.305565  -0.83  -2.45    -2.0000
iter: 547 22:46:48    -0.305776c -0.93  -2.70    -2.0000
iter: 548 22:46:52    -0.305793c -0.98  -2.89    -2.0000
iter: 549 22:46:57    -0.297518  +0.24  -1.57    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 22:47:03    -0.242223  +1.06  -1.56    -2.0000
iter: 551 22:47:08    -0.143731  +1.29  -1.73    -2.0000
iter: 552 22:47:13    -0.202151  +0.86  -1.87    -2.0000
iter: 553 22:47:17    -0.320299  +0.52  -1.62    -2.0000
iter: 554 22:47:22    -0.269903  +0.23  -1.86    -2.0000
iter: 555 22:47:27    -0.281897  -0.15  -2.19    -2.0000
iter: 556 22:47:31    -0.281472  -0.61  -1.81    -2.0000
iter: 557 22:47:36    -0.281864c -0.69  -3.25    -2.0000
iter: 558 22:47:41    -0.282671c -1.12  -2.20    -2.0000
iter: 559 22:47:45    -0.281339c -0.86  -2.53    -2.0000
iter: 560 22:47:50    -0.285400  -0.58  -1.94    -2.0000
iter: 561 22:47:55    -0.268227  +0.43  -1.71    -2.0000
iter: 562 22:47:59    -0.286082  -0.26  -1.50    -2.0000
iter: 563 22:48:04    -0.283681  -0.08  -1.51    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 22:48:10    -0.199880  +1.07  -1.54    -2.0000
iter: 565 22:48:15    -0.181400  +1.28  -1.91    -2.0000
iter: 566 22:48:20    -0.227527  +0.64  -1.65    -2.0000
iter: 567 22:48:24    -0.224694  +0.98  -1.63    -2.0000
iter: 568 22:48:29    -0.287142  +0.57  -1.61    -2.0000
iter: 569 22:48:34    -0.287776  +0.04  -1.57    -2.0000
iter: 570 22:48:38    -0.239247  +0.80  -1.53    -2.0000
iter: 571 22:48:43    -0.278032  +0.15  -1.53    -2.0000
iter: 572 22:48:48    -0.285655  -0.91  -1.61    -2.0000
iter: 573 22:48:52    -0.284821  -0.79  -2.38    -2.0000
iter: 574 22:48:57    -0.273518  -0.70  -1.82    -2.0000
iter: 575 22:49:02    -0.295186  -0.56  -1.58    -2.0000
iter: 576 22:49:06    -0.304369  -0.43  -1.51    -2.0000
iter: 577 22:49:11    -0.306404  -0.50  -1.66    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 22:49:17    -0.213567  +1.09  -1.57    -2.0000
iter: 579 22:49:22    -0.135373  +1.29  -1.53    -2.0000
iter: 580 22:49:27    -0.166096  +1.11  -2.13    -2.0000
iter: 581 22:49:31    -0.257669  +0.10  -1.54    -2.0000
iter: 582 22:49:36    -0.298204  +0.54  -1.59    -2.0000
iter: 583 22:49:41    -0.251878  +0.94  -1.57    -2.0000
iter: 584 22:49:45    -0.269207  +0.22  -1.53    -2.0000
iter: 585 22:49:50    -0.271320  -0.76  -1.84    -2.0000
iter: 586 22:49:55    -0.271834c -0.92  -2.22    -2.0000
iter: 587 22:50:00    -0.271506c -1.04  -2.52    -2.0000
iter: 588 22:50:04    -0.271237c -0.90  -2.59    -2.0000
iter: 589 22:50:09    -0.257912  +0.04  -1.55    -2.0000
iter: 590 22:50:14    -0.271091  -0.43  -1.56    -2.0000
iter: 591 22:50:18    -0.280934  -0.50  -1.50    -2.0000
iter: 592 22:50:23    -0.284235  -0.54  -1.61    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 22:50:29    -0.164725  +1.29  -1.57    -2.0000
iter: 594 22:50:34    -0.142112  +1.21  -1.52    -2.0000
iter: 595 22:50:39    -0.104484  +1.44  -2.09    -2.0000
iter: 596 22:50:43    -0.264048  +0.89  -1.55    -2.0000
iter: 597 22:50:48    -0.279402  +0.13  -1.56    -2.0000
iter: 598 22:50:53    -0.282456  +0.12  -2.89    -2.0000
iter: 599 22:50:57    -0.280610c -0.48  -1.75    -2.0000
iter: 600 22:51:02    -0.280662c -0.74  -2.36    -2.0000
iter: 601 22:51:07    -0.275393  -0.69  -1.89    -2.0000
iter: 602 22:51:11    -0.281340  -0.71  -1.82    -2.0000
iter: 603 22:51:16    -0.268386  -0.02  -1.70    -2.0000
iter: 604 22:51:21    -0.283257  -0.61  -1.58    -2.0000
iter: 605 22:51:25    -0.263485  -0.31  -1.57    -2.0000
iter: 606 22:51:30    -0.286411  -0.35  -1.57    -2.0000
iter: 607 22:51:35    -0.297068  +0.36  -1.49    -2.0000
iter: 608 22:51:39    -0.300608  -0.04  -1.49    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 22:51:46    -0.080597  +1.52  -1.57    -2.0000
iter: 610 22:51:50    -0.120332  +1.20  -1.52    -2.0000
iter: 611 22:51:55    -0.129109  +1.26  -2.13    -2.0000
iter: 612 22:52:00    -0.317001  +0.96  -1.62    -2.0000
iter: 613 22:52:04    -0.227398  +0.63  -1.68    -2.0000
iter: 614 22:52:09    -0.223789  +0.71  -2.84    -2.0000
iter: 615 22:52:14    -0.253049  -0.43  -1.67    -2.0000
iter: 616 22:52:18    -0.251572  -0.47  -1.99    -2.0000
iter: 617 22:52:23    -0.252933c -0.55  -2.21    -2.0000
iter: 618 22:52:28    -0.252235c -0.66  -2.80    -2.0000
iter: 619 22:52:32    -0.236452  -0.03  -1.63    -2.0000
iter: 620 22:52:37    -0.252201  -0.20  -1.67    -2.0000
iter: 621 22:52:42    -0.258263  -0.32  -1.79    -2.0000
iter: 622 22:52:46    -0.263036  -0.34  -1.51    -2.0000
iter: 623 22:52:51    -0.262393  +0.02  -1.61    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 22:52:57    -0.226380  +0.98  -1.59    -2.0000
iter: 625 22:53:02    -0.152168  +1.22  -1.65    -2.0000
iter: 626 22:53:06    -0.206863  +0.77  -1.83    -2.0000
iter: 627 22:53:11    -0.311593  +0.54  -1.62    -2.0000
iter: 628 22:53:16    -0.273532  +0.43  -2.00    -2.0000
iter: 629 22:53:20    -0.283568  -0.20  -2.07    -2.0000
iter: 630 22:53:25    -0.279633  -0.32  -1.80    -2.0000
iter: 631 22:53:30    -0.280932c -0.54  -2.57    -2.0000
iter: 632 22:53:34    -0.280921c -0.61  -2.48    -2.0000
iter: 633 22:53:39    -0.280198c +0.38  -1.60    -2.0000
iter: 634 22:53:44    -0.292197  +0.90  -1.59    -2.0000
iter: 635 22:53:48    -0.282265  +0.37  -1.59    -2.0000
iter: 636 22:53:53    -0.278661  +0.24  -2.22    -2.0000
iter: 637 22:53:58    -0.298199  +0.59  -1.60    -2.0000
iter: 638 22:54:03    -0.280836  +0.96  -1.53    -2.0000
iter: 639 22:54:07    -0.294399  +0.62  -1.54    -2.0000
iter: 640 22:54:12    -0.299978  -0.01  -1.52    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 22:54:18    -0.156756  +1.15  -1.55    -2.0000
iter: 642 22:54:23    -0.124848  +1.30  -1.51    -2.0000
iter: 643 22:54:27    -0.137685  +1.23  -2.54    -2.0000
iter: 644 22:54:32    -0.262765  +0.27  -1.63    -2.0000
iter: 645 22:54:37    -0.286119  +0.59  -1.61    -2.0000
iter: 646 22:54:41    -0.269339  +0.43  -2.02    -2.0000
iter: 647 22:54:46    -0.259943  -0.08  -2.00    -2.0000
iter: 648 22:54:51    -0.259413  -0.51  -1.86    -2.0000
iter: 649 22:54:56    -0.267994  -0.21  -1.73    -2.0000
iter: 650 22:55:00    -0.259911  -0.85  -1.80    -2.0000
iter: 651 22:55:05    -0.258224  -0.93  -2.13    -2.0000
iter: 652 22:55:10    -0.260786c -0.59  -1.77    -2.0000
iter: 653 22:55:14    -0.259555c -0.46  -2.90    -2.0000
iter: 654 22:55:19    -0.245566  -0.34  -1.54    -2.0000
iter: 655 22:55:24    -0.260217  -0.46  -1.55    -2.0000
iter: 656 22:55:28    -0.270515  -0.30  -1.49    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 22:55:35    -0.084327  +1.18  -1.57    -2.0000
iter: 658 22:55:39    -0.111792  +1.11  -1.56    -2.0000
iter: 659 22:55:44    -0.163476  +0.77  -1.55    -2.0000
iter: 660 22:55:49    -0.179168  +0.88  -1.55    -2.0000
iter: 661 22:55:53    -0.222212  +0.60  -1.55    -2.0000
iter: 662 22:55:58    -0.257177  +0.86  -1.55    -2.0000
iter: 663 22:56:03    -0.306753  +1.02  -1.67    -2.0000
iter: 664 22:56:07    -0.314062  +0.72  -1.84    -2.0000
iter: 665 22:56:12    -0.312863  +0.74  -2.47    -2.0000
iter: 666 22:56:17    -0.310060  +0.76  -2.20    -2.0000
iter: 667 22:56:21    -0.308225  +0.57  -1.88    -2.0000
iter: 668 22:56:26    -0.313657  +0.74  -1.99    -2.0000
iter: 669 22:56:31    -0.308496  +0.69  -2.38    -2.0000
iter: 670 22:56:35    -0.274981  +0.24  -1.53    -2.0000
iter: 671 22:56:40    -0.249979  +0.69  -1.50    -2.0000
iter: 672 22:56:45    -0.258409  +0.39  -1.69    -2.0000
iter: 673 22:56:49    -0.256405  +0.55  -2.21    -2.0000
iter: 674 22:56:54    -0.260798  +1.12  -1.68    -2.0000
iter: 675 22:56:59    -0.252868  +0.59  -1.68    -2.0000
iter: 676 22:57:03    -0.278371  +0.72  -1.64    -2.0000
iter: 677 22:57:08    -0.209160  +0.98  -1.58    -2.0000
iter: 678 22:57:13    -0.256720  +0.91  -1.66    -2.0000
iter: 679 22:57:17    -0.249663  +0.51  -1.60    -2.0000
iter: 680 22:57:22    -0.245461  +0.41  -1.64    -2.0000
iter: 681 22:57:27    -0.241859  +0.22  -2.44    -2.0000
iter: 682 22:57:31    -0.233447  -0.11  -1.79    -2.0000
iter: 683 22:57:36    -0.234583  -0.27  -2.35    -2.0000
iter: 684 22:57:41    -0.234632c -0.26  -4.03c   -2.0000
iter: 685 22:57:45    -0.242738  +0.28  -1.69    -2.0000
iter: 686 22:57:50    -0.252984  +0.09  -1.97    -2.0000
iter: 687 22:57:55    -0.280733  +0.15  -1.55    -2.0000
iter: 688 22:57:59    -0.293879  +0.14  -1.50    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 22:58:06    -0.223207  +1.04  -1.56    -2.0000
iter: 690 22:58:10    -0.131568  +1.21  -1.54    -2.0000
iter: 691 22:58:15    -0.141686  +1.16  -2.80    -2.0000
iter: 692 22:58:20    -0.296007  +0.45  -1.62    -2.0000
iter: 693 22:58:24    -0.262421  +0.16  -2.15    -2.0000
iter: 694 22:58:29    -0.269600  -0.48  -2.21    -2.0000
iter: 695 22:58:34    -0.266403  -0.57  -1.84    -2.0000
iter: 696 22:58:38    -0.267753c -0.94  -2.59    -2.0000
iter: 697 22:58:43    -0.267870c -1.37  -2.29    -2.0000
iter: 698 22:58:48    -0.267007c -1.11  -2.70    -2.0000
iter: 699 22:58:52    -0.272123  -0.84  -1.84    -2.0000
iter: 700 22:58:57    -0.249266  +0.03  -1.54    -2.0000
iter: 701 22:59:02    -0.265690  -0.14  -1.54    -2.0000
iter: 702 22:59:06    -0.274787  -0.01  -1.51    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 22:59:13    -0.210721  +1.03  -1.57    -2.0000
iter: 704 22:59:17    -0.179476  +1.14  -2.27    -2.0000
iter: 705 22:59:22    -0.223332  +0.84  -1.68    -2.0000
iter: 706 22:59:27    -0.278257  -0.05  -1.72    -2.0000
iter: 707 22:59:31    -0.274578  +0.16  -2.49    -2.0000
iter: 708 22:59:36    -0.345510  +0.57  -1.64    -2.0000
iter: 709 22:59:41    -0.279870  -0.62  -1.88    -2.0000
iter: 710 22:59:45    -0.279924  -0.63  -4.06c   -2.0000
iter: 711 22:59:50    -0.280103c -1.01  -2.44    -2.0000
iter: 712 22:59:55    -0.286431  -0.32  -1.93    -2.0000
iter: 713 23:00:00    -0.286673  -0.32  -1.55    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 23:00:06    -0.233058  +1.04  -1.56    -2.0000
iter: 715 23:00:11    -0.126528  +1.27  -1.66    -2.0000
iter: 716 23:00:15    -0.175622  +0.96  -2.03    -2.0000
iter: 717 23:00:20    -0.288752  +0.26  -1.74    -2.0000
iter: 718 23:00:25    -0.262743  -0.09  -1.95    -2.0000
iter: 719 23:00:29    -0.265341  -0.31  -2.68    -2.0000
iter: 720 23:00:34    -0.268612  -0.91  -1.94    -2.0000
iter: 721 23:00:39    -0.261251  -0.23  -2.18    -2.0000
iter: 722 23:00:43    -0.268417  -1.39  -1.95    -2.0000
iter: 723 23:00:48    -0.269709  -1.22  -2.49    -2.0000
iter: 724 23:00:53    -0.266001c -0.21  -1.54    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 23:00:59    -0.226751  +0.96  -1.57    -2.0000
iter: 726 23:01:03    -0.157779  +1.22  -1.73    -2.0000
iter: 727 23:01:08    -0.209347  +0.85  -1.94    -2.0000
iter: 728 23:01:13    -0.350550  +0.70  -1.62    -2.0000
iter: 729 23:01:17    -0.278043  +0.16  -1.77    -2.0000
iter: 730 23:01:22    -0.283325  -0.71  -2.23    -2.0000
iter: 731 23:01:27    -0.283722  -0.97  -2.19    -2.0000
iter: 732 23:01:31    -0.283544c -1.11  -2.61    -2.0000
iter: 733 23:01:36    -0.283534c -0.91  -2.50    -2.0000
iter: 734 23:01:41    -0.281554c -0.69  -2.11    -2.0000
iter: 735 23:01:45    -0.297990  -0.05  -1.62    -2.0000
iter: 736 23:01:50    -0.277363  -0.88  -1.59    -2.0000
iter: 737 23:01:55    -0.284993  -0.57  -2.03    -2.0000
iter: 738 23:01:59    -0.298911  -0.73  -1.50    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 23:02:06    -0.176966  +1.06  -1.56    -2.0000
iter: 740 23:02:10    -0.132972  +1.27  -1.52    -2.0000
iter: 741 23:02:15    -0.122322  +1.33  -2.63    -2.0000
iter: 742 23:02:20    -0.232674  +0.63  -1.52    -2.0000
iter: 743 23:02:24    -0.244611  +0.32  -1.59    -2.0000
iter: 744 23:02:29    -0.290868  +0.28  -1.65    -2.0000
iter: 745 23:02:34    -0.264931  -0.24  -1.80    -2.0000
iter: 746 23:02:38    -0.268303  -1.03  -2.18    -2.0000
iter: 747 23:02:43    -0.268264c -1.33  -2.51    -2.0000
iter: 748 23:02:48    -0.268500c -1.17  -2.60    -2.0000
iter: 749 23:02:52    -0.268214c -1.08  -3.05    -2.0000
iter: 750 23:02:57    -0.264957c -0.60  -1.99    -2.0000
iter: 751 23:03:02    -0.278971  -0.98  -1.52    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 23:03:08    -0.238311  +0.96  -1.58    -2.0000
iter: 753 23:03:13    -0.149427  +1.27  -1.57    -2.0000
iter: 754 23:03:17    -0.178710  +1.15  -2.36    -2.0000
iter: 755 23:03:22    -0.287120  +0.35  -1.58    -2.0000
iter: 756 23:03:27    -0.272710  +0.19  -1.84    -2.0000
iter: 757 23:03:31    -0.287307  -0.15  -2.14    -2.0000
iter: 758 23:03:36    -0.285098  -0.68  -1.72    -2.0000
iter: 759 23:03:41    -0.285707c -0.91  -2.89    -2.0000
iter: 760 23:03:45    -0.285673c -1.13  -2.53    -2.0000
iter: 761 23:03:50    -0.278719  -0.65  -2.18    -2.0000
iter: 762 23:03:55    -0.296192  -0.74  -1.51    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 23:04:01    -0.226836  +1.02  -1.57    -2.0000
iter: 764 23:04:06    -0.126430  +1.26  -1.66    -2.0000
iter: 765 23:04:10    -0.178440  +0.93  -1.97    -2.0000
iter: 766 23:04:15    -0.266520  +0.22  -1.62    -2.0000
iter: 767 23:04:20    -0.270616  +0.23  -2.97    -2.0000
iter: 768 23:04:24    -0.273770  -0.12  -1.96    -2.0000
iter: 769 23:04:29    -0.267021  -0.72  -1.75    -2.0000
iter: 770 23:04:34    -0.267650  -0.90  -3.00    -2.0000
iter: 771 23:04:38    -0.267932c -1.35  -2.34    -2.0000
iter: 772 23:04:43    -0.261542  -0.43  -2.03    -2.0000
iter: 773 23:04:48    -0.275643  -0.70  -1.54    -2.0000
iter: 774 23:04:53    -0.273321  +0.03  -1.51    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 23:04:59    -0.177145  +1.21  -1.57    -2.0000
iter: 776 23:05:03    -0.144905  +1.27  -1.57    -2.0000
iter: 777 23:05:08    -0.191118  +0.96  -2.03    -2.0000
iter: 778 23:05:13    -0.358699  +0.72  -1.70    -2.0000
iter: 779 23:05:17    -0.272788  +0.04  -1.70    -2.0000
iter: 780 23:05:22    -0.273719  -0.30  -2.33    -2.0000
iter: 781 23:05:27    -0.273332c -0.39  -2.91    -2.0000
iter: 782 23:05:31    -0.272350c -1.07  -2.08    -2.0000
iter: 783 23:05:36    -0.272441c -1.06  -3.32    -2.0000
iter: 784 23:05:41    -0.274435c -0.48  -1.95    -2.0000
iter: 785 23:05:45    -0.274191c -0.45  -3.49    -2.0000
iter: 786 23:05:50    -0.280192  +0.35  -1.62    -2.0000
iter: 787 23:05:55    -0.277287  +0.50  -2.64    -2.0000
iter: 788 23:05:59    -0.295010  +0.25  -1.49    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 23:06:06    -0.177907  +1.18  -1.58    -2.0000
iter: 790 23:06:10    -0.131923  +1.22  -1.52    -2.0000
iter: 791 23:06:15    -0.114172  +1.35  -2.28    -2.0000
iter: 792 23:06:20    -0.237598  +0.73  -1.58    -2.0000
iter: 793 23:06:24    -0.261209  +0.01  -1.57    -2.0000
iter: 794 23:06:29    -0.252966  -0.21  -1.62    -2.0000
iter: 795 23:06:34    -0.258187  -0.24  -1.87    -2.0000
iter: 796 23:06:38    -0.258811  -0.98  -2.10    -2.0000
iter: 797 23:06:43    -0.259419c -0.81  -2.45    -2.0000
iter: 798 23:06:48    -0.253635  -0.81  -1.72    -2.0000
iter: 799 23:06:52    -0.259217  -0.84  -1.71    -2.0000
iter: 800 23:06:57    -0.255813  -0.22  -2.33    -2.0000
iter: 801 23:07:02    -0.267624  -0.66  -1.70    -2.0000
iter: 802 23:07:06    -0.277965  -0.65  -1.51    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 23:07:13    -0.108658  +1.28  -1.58    -2.0000
iter: 804 23:07:17    -0.150991  +1.11  -1.53    -2.0000
iter: 805 23:07:22    -0.075649  +1.62  -1.58    -2.0000
iter: 806 23:07:27    -0.177835  +1.24  -1.55    -2.0000
iter: 807 23:07:31    -0.223922  +0.92  -1.59    -2.0000
iter: 808 23:07:36    -0.227424  +0.56  -1.56    -2.0000
iter: 809 23:07:41    -0.271193  -0.26  -1.56    -2.0000
iter: 810 23:07:45    -0.273794  -0.83  -2.17    -2.0000
iter: 811 23:07:50    -0.273982c -0.81  -3.33    -2.0000
iter: 812 23:07:55    -0.267451  -0.96  -1.92    -2.0000
iter: 813 23:07:59    -0.277551  -0.56  -1.54    -2.0000
iter: 814 23:08:04    -0.275650  -0.41  -2.65    -2.0000
iter: 815 23:08:09    -0.253783  -0.15  -1.53    -2.0000
iter: 816 23:08:13    -0.280459  -0.47  -1.53    -2.0000
iter: 817 23:08:18    -0.295263  -0.44  -1.49    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 23:08:24    -0.138547  +1.25  -1.58    -2.0000
iter: 819 23:08:29    -0.125664  +1.19  -1.53    -2.0000
iter: 820 23:08:34    -0.043332  +1.64  -1.58    -2.0000
iter: 821 23:08:38    -0.155436  +1.24  -1.50    -2.0000
iter: 822 23:08:43    -0.269217  +1.30  -1.59    -2.0000
iter: 823 23:08:48    -0.152332  +1.19  -1.55    -2.0000
iter: 824 23:08:52    -0.242430  +0.42  -1.54    -2.0000
iter: 825 23:08:57    -0.258106  -0.90  -1.89    -2.0000
iter: 826 23:09:02    -0.257841  -1.14  -2.29    -2.0000
iter: 827 23:09:06    -0.256884c -1.15  -2.32    -2.0000
iter: 828 23:09:11    -0.258717c -0.98  -2.45    -2.0000
iter: 829 23:09:16    -0.261699  -0.57  -1.59    -2.0000
iter: 830 23:09:20    -0.262327c -0.64  -3.13    -2.0000
iter: 831 23:09:25    -0.245458  -0.37  -1.52    -2.0000
iter: 832 23:09:30    -0.264417  -0.60  -1.52    -2.0000
iter: 833 23:09:34    -0.275239  -0.43  -1.50    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 23:09:41    -0.174111  +1.13  -1.56    -2.0000
iter: 835 23:09:45    -0.143213  +1.29  -1.50    -2.0000
iter: 836 23:09:50    -0.145820  +1.28  -3.24    -2.0000
iter: 837 23:09:55    -0.248527  +0.54  -1.54    -2.0000
iter: 838 23:10:00    -0.259569  +0.13  -1.62    -2.0000
iter: 839 23:10:04    -0.262891  +0.10  -2.98    -2.0000
iter: 840 23:10:09    -0.269734  -0.65  -1.68    -2.0000
iter: 841 23:10:14    -0.270780  -0.98  -2.41    -2.0000
iter: 842 23:10:18    -0.271013c -0.94  -2.92    -2.0000
iter: 843 23:10:23    -0.271138c -0.08  -1.55    -2.0000
iter: 844 23:10:28    -0.280783  -0.50  -2.17    -2.0000
iter: 845 23:10:32    -0.255853  -0.26  -1.54    -2.0000
iter: 846 23:10:37    -0.279236  -0.60  -1.55    -2.0000
iter: 847 23:10:42    -0.293108  -0.61  -1.50    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 23:10:48    -0.185565  +1.10  -1.56    -2.0000
iter: 849 23:10:53    -0.117514  +1.34  -1.52    -2.0000
iter: 850 23:10:57    -0.137459  +1.24  -2.34    -2.0000
iter: 851 23:11:02    -0.237829  +0.43  -1.54    -2.0000
iter: 852 23:11:07    -0.264725  +0.38  -1.61    -2.0000
iter: 853 23:11:11    -0.259097  -0.32  -1.63    -2.0000
iter: 854 23:11:16    -0.257281  -0.50  -2.18    -2.0000
iter: 855 23:11:21    -0.258308c -0.88  -2.36    -2.0000
iter: 856 23:11:25    -0.258286c -1.12  -2.33    -2.0000
iter: 857 23:11:30    -0.257481c -0.90  -2.66    -2.0000
iter: 858 23:11:35    -0.261769  -0.66  -2.04    -2.0000
iter: 859 23:11:39    -0.236103  -0.06  -1.55    -2.0000
iter: 860 23:11:44    -0.257021  -0.27  -1.54    -2.0000
iter: 861 23:11:49    -0.038976  +1.67  -1.62    -2.0000
iter: 862 23:11:53    -0.172958  +1.31  -1.47    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 23:12:00    -0.197974  +1.17  -1.51    -2.0000
iter: 864 23:12:04    -0.194821  +1.45  -2.01    -2.0000
iter: 865 23:12:09    -0.216056  +0.76  -1.58    -2.0000
iter: 866 23:12:14    -0.306145  +0.42  -1.61    -2.0000
iter: 867 23:12:18    -0.448528  +1.21  -1.66    -2.0000
iter: 868 23:12:23    -0.328342  +0.88  -1.67    -2.0000
iter: 869 23:12:28    -0.297393  +0.53  -1.65    -2.0000
iter: 870 23:12:32    -0.279711  +0.12  -1.61    -2.0000
iter: 871 23:12:37    -0.282556  -0.60  -2.19    -2.0000
iter: 872 23:12:42    -0.282092c -0.84  -2.63    -2.0000
iter: 873 23:12:46    -0.269685  -0.00  -1.76    -2.0000
iter: 874 23:12:51    -0.283678  -0.53  -1.61    -2.0000
iter: 875 23:12:56    -0.280884  -0.07  -2.51    -2.0000
iter: 876 23:13:00    -0.290598  -0.45  -1.49    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 23:13:07    -0.224968  +1.09  -1.55    -2.0000
iter: 878 23:13:11    -0.109439  +1.30  -1.59    -2.0000
iter: 879 23:13:16    -0.158457  +1.00  -2.05    -2.0000
iter: 880 23:13:21    -0.353014  +0.95  -1.65    -2.0000
iter: 881 23:13:25    -0.234126  +0.34  -1.58    -2.0000
iter: 882 23:13:30    -0.263136  -0.09  -1.99    -2.0000
iter: 883 23:13:35    -0.253849  -0.57  -1.74    -2.0000
iter: 884 23:13:39    -0.254620  -0.69  -2.88    -2.0000
iter: 885 23:13:44    -0.255124c -0.99  -2.20    -2.0000
iter: 886 23:13:49    -0.254272c -0.93  -2.76    -2.0000
iter: 887 23:13:53    -0.256646c -0.75  -2.16    -2.0000
iter: 888 23:13:58    -0.233921  +0.16  -1.54    -2.0000
iter: 889 23:14:03    -0.252824  -0.08  -1.56    -2.0000
iter: 890 23:14:07    -0.264172  -0.29  -1.50    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 23:14:14    -0.240941  +0.98  -1.57    -2.0000
iter: 892 23:14:18    -0.144814  +1.27  -1.74    -2.0000
iter: 893 23:14:23    -0.197456  +0.96  -1.91    -2.0000
iter: 894 23:14:28    -0.277665  -0.11  -1.81    -2.0000
iter: 895 23:14:32    -0.279023  -0.20  -2.99    -2.0000
iter: 896 23:14:37    -0.324511  +0.36  -1.61    -2.0000
iter: 897 23:14:42    -0.282293  -0.61  -1.82    -2.0000
iter: 898 23:14:46    -0.282610  -0.66  -3.41    -2.0000
iter: 899 23:14:51    -0.283036c -1.10  -2.27    -2.0000
iter: 900 23:14:56    -0.284130c +0.40  -1.48    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 23:15:02    -0.196503  +1.10  -1.58    -2.0000
iter: 902 23:15:07    -0.111061  +1.31  -1.62    -2.0000
iter: 903 23:15:11    -0.152694  +1.08  -2.09    -2.0000
iter: 904 23:15:16    -0.301009  +0.53  -1.59    -2.0000
iter: 905 23:15:21    -0.250818  +0.06  -1.92    -2.0000
iter: 906 23:15:25    -0.254055  -0.51  -2.19    -2.0000
iter: 907 23:15:30    -0.265261  -0.28  -1.81    -2.0000
iter: 908 23:15:35    -0.248939  -0.17  -1.75    -2.0000
iter: 909 23:15:39    -0.256073  -0.99  -1.83    -2.0000
iter: 910 23:15:44    -0.238792  +0.56  -1.76    -2.0000
iter: 911 23:15:49    -0.257243  -0.79  -1.66    -2.0000
iter: 912 23:15:53    -0.264943  -0.56  -1.50    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 23:16:00    -0.219607  +0.97  -1.56    -2.0000
iter: 914 23:16:04    -0.138861  +1.29  -1.64    -2.0000
iter: 915 23:16:09    -0.190502  +1.01  -1.95    -2.0000
iter: 916 23:16:14    -0.286949  +0.31  -1.54    -2.0000
iter: 917 23:16:18    -0.273200  +0.16  -2.00    -2.0000
iter: 918 23:16:23    -0.280108  -0.41  -2.08    -2.0000
iter: 919 23:16:28    -0.278481  -0.69  -1.98    -2.0000
iter: 920 23:16:32    -0.279172c -0.82  -2.82    -2.0000
iter: 921 23:16:37    -0.279398c -1.02  -2.27    -2.0000
iter: 922 23:16:42    -0.272531  -0.37  -1.90    -2.0000
iter: 923 23:16:46    -0.283349  -0.58  -1.65    -2.0000
iter: 924 23:16:51    -0.255803  -0.17  -1.53    -2.0000
iter: 925 23:16:56    -0.280273  -0.55  -1.52    -2.0000
iter: 926 23:17:00    -0.283561  -0.15  -1.51    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 23:17:07    -0.149158  +1.23  -1.57    -2.0000
iter: 928 23:17:11    -0.098048  +1.32  -1.55    -2.0000
iter: 929 23:17:16    -0.143994  +1.07  -2.05    -2.0000
iter: 930 23:17:21    -0.315635  +0.65  -1.64    -2.0000
iter: 931 23:17:25    -0.248717  +0.02  -1.71    -2.0000
iter: 932 23:17:30    -0.249198  -0.05  -2.85    -2.0000
iter: 933 23:17:35    -0.248764c -0.45  -2.07    -2.0000
iter: 934 23:17:39    -0.249192c -0.58  -2.72    -2.0000
iter: 935 23:17:44    -0.250652c -0.86  -2.18    -2.0000
iter: 936 23:17:49    -0.250577c -0.89  -3.30    -2.0000
iter: 937 23:17:53    -0.247734c -0.51  -2.22    -2.0000
iter: 938 23:17:58    -0.252566  -0.61  -1.80    -2.0000
iter: 939 23:18:03    -0.242162  +0.23  -2.02    -2.0000
iter: 940 23:18:07    -0.257513  -0.09  -1.50    -2.0000
iter: 941 23:18:12    -0.263943  -0.49  -1.49    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 23:18:18    -0.107008  +1.38  -1.58    -2.0000
iter: 943 23:18:23    -0.130373  +1.19  -1.51    -2.0000
iter: 944 23:18:27    -0.122735  +1.30  -2.33    -2.0000
iter: 945 23:18:32    -0.107313  +1.55  -1.63    -2.0000
iter: 946 23:18:37    -0.207815  +1.14  -1.56    -2.0000
iter: 947 23:18:41    -0.227000  +0.48  -1.60    -2.0000
iter: 948 23:18:46    -0.228497  +0.45  -1.60    -2.0000
iter: 949 23:18:51    -0.252386  +0.03  -1.56    -2.0000
iter: 950 23:18:55    -0.261114  -0.74  -2.01    -2.0000
iter: 951 23:19:00    -0.260819  -0.85  -2.39    -2.0000
iter: 952 23:19:05    -0.261304c -0.09  -1.78    -2.0000
iter: 953 23:19:10    -0.264237c -0.46  -2.17    -2.0000
iter: 954 23:19:14    -0.257618  -0.57  -2.05    -2.0000
iter: 955 23:19:19    -0.273212  -0.49  -1.52    -2.0000
iter: 956 23:19:24    -0.277121  -0.28  -1.56    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 23:19:30    -0.152680  +1.26  -1.57    -2.0000
iter: 958 23:19:34    -0.097039  +1.35  -1.52    -2.0000
iter: 959 23:19:39    -0.141776  +1.10  -2.00    -2.0000
iter: 960 23:19:44    -0.276208  +0.50  -1.60    -2.0000
iter: 961 23:19:49    -0.261059  +0.30  -1.61    -2.0000
iter: 962 23:19:53    -0.244171  -0.10  -1.63    -2.0000
iter: 963 23:19:58    -0.246364  -0.38  -2.14    -2.0000
iter: 964 23:20:03    -0.247729c -0.54  -2.62    -2.0000
iter: 965 23:20:07    -0.249940c -0.91  -2.04    -2.0000
iter: 966 23:20:12    -0.248954c -0.30  -1.75    -2.0000
iter: 967 23:20:17    -0.251731c -0.12  -2.25    -2.0000
iter: 968 23:20:21    -0.239458  +0.70  -1.59    -2.0000
iter: 969 23:20:26    -0.247628  +0.16  -1.58    -2.0000
iter: 970 23:20:31    -0.253738  -0.46  -1.54    -2.0000
iter: 971 23:20:35    -0.256343  -0.65  -2.07    -2.0000
iter: 972 23:20:40    -0.255607c +0.45  -1.58    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 23:20:46    -0.137106  +1.24  -1.60    -2.0000
iter: 974 23:20:51    -0.146693  +1.15  -1.52    -2.0000
iter: 975 23:20:55    -0.019660  +1.72  -1.48    -2.0000
iter: 976 23:21:00    -0.172970  +1.30  -1.54    -2.0000
iter: 977 23:21:05    -0.232036  +0.64  -1.54    -2.0000
iter: 978 23:21:09    -0.257049  +0.07  -1.81    -2.0000
iter: 979 23:21:14    -0.267173  -0.53  -1.97    -2.0000
iter: 980 23:21:19    -0.250852  +0.67  -1.54    -2.0000
iter: 981 23:21:23    -0.266347  -0.44  -1.54    -2.0000
iter: 982 23:21:28    -0.266920  -0.76  -2.31    -2.0000
iter: 983 23:21:33    -0.266192c -0.33  -2.29    -2.0000
iter: 984 23:21:37    -0.267685c -0.14  -2.54    -2.0000
iter: 985 23:21:42    -0.240627  +0.76  -1.56    -2.0000
iter: 986 23:21:47    -0.267538  +0.30  -1.58    -2.0000
iter: 987 23:21:51    -0.282100  -0.50  -1.50    -2.0000
iter: 988 23:21:56    -0.285013  -0.66  -1.79    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 23:22:02    -0.150233  +1.29  -1.58    -2.0000
iter: 990 23:22:07    -0.107809  +1.25  -1.54    -2.0000
iter: 991 23:22:12    -0.122892  +1.23  -2.43    -2.0000
iter: 992 23:22:16    -0.302172  +0.96  -1.58    -2.0000
iter: 993 23:22:21    -0.242482  -0.06  -1.65    -2.0000
iter: 994 23:22:26    -0.238361  +0.13  -2.62    -2.0000
iter: 995 23:22:30    -0.252453  +0.09  -1.80    -2.0000
iter: 996 23:22:35    -0.244626  +0.38  -1.52    -2.0000
iter: 997 23:22:40    -0.252271  -1.02  -1.76    -2.0000
iter: 998 23:22:44    -0.251976  -1.01  -2.44    -2.0000
iter: 999 23:22:49    -0.252999c -0.88  -2.60    -2.0000
iter:1000 23:22:54    -0.239487  -0.35  -1.61    -2.0000

Did not converge!

Here are some tips:

1) Make sure the geometry and spin-state is physically sound.
2) Use less aggressive density mixing.
3) Solve the eigenvalue problem more accurately at each scf-step.
4) Use a smoother distribution function for the occupation numbers.
5) Try adding more empty states.
6) Use enough k-points.
7) Don't let your structure optimization algorithm take too large steps.
8) Solve the Poisson equation more accurately.
9) Better initial guess for the wave functions.

See details here:

    https://wiki.fysik.dtu.dk/gpaw/documentation/convergence.html


