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

User:   aes38@compute-20
Date:   Fri Oct  6 21:58:00 2023
Arch:   x86_64
Pid:    47458
CWD:    /users/home/aes38/Rydberg/new/ethylene/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/ethylene/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:
  C:
    name: Carbon
    id: 4aa54d4b901d75f77cc0ea3eec22967b
    Z: 6.0
    valence: 4
    core: 2
    charge: 0.0
    file: /users/home/share/gpaw-setups-0.9.20000/C.PBE.gz
    compensation charges: {type: gauss,
                           rc: 0.20,
                           lmax: 2}
    cutoffs: {filter: 1.14,
              core: 1.14}
    valence states:
      #              energy  rcut
      - 2s(2.00)   -13.751   0.635
      - 2p(2.00)    -5.284   0.635
      -  s          13.461   0.635
      -  p          21.927   0.635
      -  d           0.000   0.635
  
    # LCAO basis set for C:
    #   Name: aug-cc-pVDZ_PBE.sz
    #   File: /users/home/aes38/basissets/C.aug-cc-pVDZ_PBE.sz.basis
    #   Number of radial functions: 8
    #   Number of spherical harmonics: 22
    #     l=0, rc=5.5938 Bohr: 2s-sz confined orbital
    #     l=1, rc=6.8750 Bohr: 2p-sz confined orbital
    #     l=0, rc=7.5625 Bohr: NGTO(s,0.1596000)
    #     l=0, rc=13.1094 Bohr: NGTO(s,0.0469000)
    #     l=1, rc=7.7344 Bohr: NGTO(p,0.1517000)
    #     l=1, rc=13.9531 Bohr: NGTO(p,0.0404100)
    #     l=2, rc=4.4688 Bohr: NGTO(d,0.5500000)
    #     l=2, rc=8.0469 Bohr: NGTO(d,0.1510000)
    #   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: -2105.216880  # 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*148 grid
  Fine grid: 264*288*296 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*296 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, 1, 2]
 

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 140.50 MiB
Attribute error: AttributeError("'LCAOETDM' object has no attribute 'estimate_memory'")
Some object probably lacks estimate_memory() method
Memory breakdown may be incomplete
  Calculator: 28.25 MiB
    Density: 15.11 MiB
      Arrays: 15.00 MiB
      Localized functions: 0.10 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 11.16 MiB
      Arrays: 11.15 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 1.98 MiB
      C [qnM]: 0.10 MiB
      S, T [2 x qmm]: 0.20 MiB
      P [aqMi]: 0.00 MiB
      BasisFunctions: 1.69 MiB

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

Number of atoms: 6
Number of atomic orbitals: 80
Number of bands in calculation: 80
Number of valence electrons: 12
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:
  C:
    name: Carbon
    id: 4aa54d4b901d75f77cc0ea3eec22967b
    Z: 6.0
    valence: 4
    core: 2
    charge: 0.0
    file: /users/home/share/gpaw-setups-0.9.20000/C.PBE.gz
    compensation charges: {type: gauss,
                           rc: 0.20,
                           lmax: 2}
    cutoffs: {filter: 1.14,
              core: 1.14}
    valence states:
      #              energy  rcut
      - 2s(2.00)   -13.751   0.635
      - 2p(2.00)    -5.284   0.635
      -  s          13.461   0.635
      -  p          21.927   0.635
      -  d           0.000   0.635
  
    # LCAO basis set for C:
    #   Name: aug-cc-pVDZ_PBE.sz
    #   File: /users/home/aes38/basissets/C.aug-cc-pVDZ_PBE.sz.basis
    #   Number of radial functions: 8
    #   Number of spherical harmonics: 22
    #     l=0, rc=5.5938 Bohr: 2s-sz confined orbital
    #     l=1, rc=6.8750 Bohr: 2p-sz confined orbital
    #     l=0, rc=7.5625 Bohr: NGTO(s,0.1596000)
    #     l=0, rc=13.1094 Bohr: NGTO(s,0.0469000)
    #     l=1, rc=7.7344 Bohr: NGTO(p,0.1517000)
    #     l=1, rc=13.9531 Bohr: NGTO(p,0.0404100)
    #     l=2, rc=4.4688 Bohr: NGTO(d,0.5500000)
    #     l=2, rc=8.0469 Bohr: NGTO(d,0.1510000)
    #   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: -2105.216880  # 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: 190.83 MiB
Attribute error: AttributeError("'LCAOETDM' object has no attribute 'estimate_memory'")
Some object probably lacks estimate_memory() method
Memory breakdown may be incomplete
  Calculator: 28.25 MiB
    Density: 15.11 MiB
      Arrays: 15.00 MiB
      Localized functions: 0.10 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 11.16 MiB
      Arrays: 11.15 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 1.98 MiB
      C [qnM]: 0.10 MiB
      S, T [2 x qmm]: 0.20 MiB
      P [aqMi]: 0.00 MiB
      BasisFunctions: 1.69 MiB

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

Number of atoms: 6
Number of atomic orbitals: 80
Number of bands in calculation: 80
Number of valence electrons: 12
Bands to converge: occupied

... initialized

Initializing position-dependent things.

              .------------------------------------------------.  
             /|                                                |  
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 *            |                                                |  
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 |            |                                                |  
 |            |                  H                             |  
 |            |                                                |  
 |            |                HC                              |  
 |            |                 CH                             |  
 |            |                                                |  
 |            |                H                               |  
 |            |                                                |  
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 |            .------------------------------------------------.  
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 |/                                                /              
 *------------------------------------------------*               

Positions:
   0 C     10.000000   10.923542   11.892732    ( 0.0000,  0.0000,  0.0000)
   1 C     10.000000   10.923542   10.563732    ( 0.0000,  0.0000,  0.0000)
   2 H     10.000000   11.847084   12.456465    ( 0.0000,  0.0000,  0.0000)
   3 H     10.000000   10.000000   12.456465    ( 0.0000,  0.0000,  0.0000)
   4 H     10.000000   11.847084   10.000000    ( 0.0000,  0.0000,  0.0000)
   5 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   21.847084    0.000000   144     0.1517
  3. axis:    no     0.000000    0.000000   22.456465   148     0.1517

  Lengths:  20.000000  21.847084  22.456465
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1517

Initial localization: ...
Pipek-Mezey localization started
Pipek-Mezey localization finished
Done
     iter     time        total  log10-change:  magmom
                         energy  eigst   dens
iter:   1 21:58:26   -20.381763         -15.35c   -2.0000
iter:   2 21:58:39   -20.411804         -15.20c   -2.0000
iter:   3 21:58:52   -20.411891         -15.42c   -2.0000
iter:   4 21:59:06   -20.411968c        -15.39c   -2.0000
iter:   5 21:59:19   -20.411921c        -15.21c   -2.0000
iter:   6 21:59:33   -20.411927c        -15.28c   -2.0000
iter:   7 21:59:46   -19.918781  +1.69  -1.68    -2.0000
iter:   8 22:00:00   -20.354984  +1.33  -1.82    -2.0000
iter:   9 22:00:13   -19.609505  +1.94  -1.91    -2.0000
iter:  10 22:00:26   -20.530290  +0.76  -1.86    -2.0000
iter:  11 22:00:40   -20.610082  +0.03  -2.15    -2.0000
iter:  12 22:00:53   -20.625644  -0.23  -2.56    -2.0000
iter:  13 22:01:07   -20.630848  -0.43  -3.24    -2.0000
iter:  14 22:01:20   -20.589335  +0.38  -2.70    -2.0000
iter:  15 22:01:34   -20.592798  +0.27  -3.28    -2.0000
iter:  16 22:01:47   -20.589963c +0.27  -1.68    -2.0000
iter:  17 22:02:00   -20.638539  +0.13  -2.04    -2.0000
iter:  18 22:02:14   -20.647704  -0.34  -3.40    -2.0000
iter:  19 22:02:27   -20.654456  -0.93  -2.93    -2.0000
iter:  20 22:02:41   -20.627069  +0.25  -2.46    -2.0000
iter:  21 22:02:54   -20.517603  +1.04  -2.39    -2.0000
iter:  22 22:03:08   -19.939304  +1.82  -2.09    -2.0000
iter:  23 22:03:21   -20.635071  +0.22  -2.02    -2.0000
iter:  24 22:03:34   -20.058153  +1.52  -1.96    -2.0000
iter:  25 22:03:48   -20.506727  +0.89  -2.23    -2.0000
iter:  26 22:04:01   -20.649269  -0.24  -2.47    -2.0000
iter:  27 22:04:15   -20.650816  -0.49  -3.48    -2.0000
iter:  28 22:04:28   -20.656739  -1.46  -3.19    -2.0000
iter:  29 22:04:41   -20.657203  -1.70  -4.00    -2.0000
iter:  30 22:04:55   -20.637203  +0.08  -2.42    -2.0000
iter:  31 22:05:08   -20.655386  -0.86  -2.45    -2.0000
iter:  32 22:05:22   -20.654710  -0.94  -2.99    -2.0000
iter:  33 22:05:35   -20.621658  -0.02  -2.30    -2.0000
iter:  34 22:05:49   -20.654226  -0.57  -2.02    -2.0000
iter:  35 22:06:02   -20.658854  -1.49  -2.88    -2.0000
iter:  36 22:06:15   -20.659299c -1.91  -3.40    -2.0000
iter:  37 22:06:29   -20.659392c -2.06  -4.04c   -2.0000
iter:  38 22:06:42   -20.659326c -1.95  -4.25c   -2.0000
iter:  39 22:06:56   -20.652565  -0.49  -3.09    -2.0000
iter:  40 22:07:09   -20.649000  -0.19  -3.70    -2.0000
iter:  41 22:07:23   -20.658442  -1.02  -3.54    -2.0000
iter:  42 22:07:36   -20.659133  -1.51  -3.50    -2.0000
iter:  43 22:07:49   -20.659307c -1.63  -3.72    -2.0000
iter:  44 22:08:03   -20.659581c -2.30  -3.72    -2.0000
iter:  45 22:08:16   -20.659560c -2.26  -4.22c   -2.0000
iter:  46 22:08:30   -20.659592c -2.37  -4.28c   -2.0000
iter:  47 22:08:43   -20.659554c -2.07  -4.10c   -2.0000
iter:  48 22:08:57   -20.659535c -2.20  -3.95    -2.0000
iter:  49 22:09:10   -20.659033c -1.67  -3.55    -2.0000
iter:  50 22:09:23   -20.655963c -1.08  -2.88    -2.0000
iter:  51 22:09:37   -20.659762c -1.79  -2.56    -2.0000
iter:  52 22:09:50   -20.660023c -2.15  -3.78    -2.0000
iter:  53 22:10:04   -20.659949c -2.03  -4.39c   -2.0000
iter:  54 22:10:17   -20.659306c -1.63  -3.41    -2.0000
iter:  55 22:10:31   -20.657458c -0.96  -2.93    -2.0000
iter:  56 22:10:44   -20.653054  -0.27  -2.40    -2.0000
iter:  57 22:10:58   -20.659254  -1.77  -2.51    -2.0000
iter:  58 22:11:11   -20.647246  -0.37  -2.91    -2.0000
iter:  59 22:11:24   -20.647048  -0.12  -3.04    -2.0000
iter:  60 22:11:38   -20.652612c -0.38  -3.27    -2.0000
iter:  61 22:11:51   -20.385746  +1.21  -2.19    -2.0000
iter:  62 22:12:05   -20.612067  +0.62  -2.18    -2.0000
iter:  63 22:12:18   -20.606157  +0.55  -2.49    -2.0000
iter:  64 22:12:32   -20.658614  -1.43  -2.44    -2.0000
iter:  65 22:12:45   -20.658913  -1.24  -3.30    -2.0000
iter:  66 22:12:58   -20.658131c -0.90  -3.98    -2.0000
iter:  67 22:13:12   -20.659514c -2.01  -3.63    -2.0000
iter:  68 22:13:25   -20.659680c -2.34  -3.59    -2.0000
iter:  69 22:13:39   -20.659783c -2.75  -3.99    -2.0000
iter:  70 22:13:52   -20.659815c -3.15  -4.59c   -2.0000
iter:  71 22:14:06   -20.659641c -2.39  -3.87    -2.0000
iter:  72 22:14:19   -20.659384c -1.48  -3.46    -2.0000
iter:  73 22:14:32   -20.659663c -2.05  -3.53    -2.0000
iter:  74 22:14:46   -20.659549c -2.13  -3.62    -2.0000
iter:  75 22:14:59   -20.658885c -1.59  -3.41    -2.0000
iter:  76 22:15:13   -20.659421c -2.20  -3.55    -2.0000
iter:  77 22:15:26   -20.654790c -0.78  -3.07    -2.0000
iter:  78 22:15:40   -20.645319  -0.02  -2.86    -2.0000
iter:  79 22:15:53   -20.654213  -0.35  -2.77    -2.0000
iter:  80 22:16:06   -20.658726  -1.33  -3.00    -2.0000
iter:  81 22:16:20   -20.659546c -2.33  -3.68    -2.0000
iter:  82 22:16:33   -20.659106c -1.43  -4.14c   -2.0000
iter:  83 22:16:47   -20.657785c -0.81  -3.62    -2.0000
iter:  84 22:17:00   -20.659539c -2.22  -3.67    -2.0000
iter:  85 22:17:13   -20.658312c -1.10  -3.14    -2.0000
iter:  86 22:17:27   -20.659614c -3.00  -3.09    -2.0000
iter:  87 22:17:40   -20.659614c -3.00  -6.07c   -2.0000
iter:  88 22:17:54   -20.659490c -2.38  -3.90    -2.0000
iter:  89 22:18:07   -20.659277c -2.04  -3.43    -2.0000
iter:  90 22:18:21   -20.633113  +0.09  -2.34    -2.0000
iter:  91 22:18:34   -20.658703  -1.21  -2.28    -2.0000
iter:  92 22:18:47   -20.658977  -1.56  -3.04    -2.0000
iter:  93 22:19:01   -20.584426  +0.36  -1.76    -2.0000
iter:  94 22:19:14   -20.653995  -0.81  -1.76    -2.0000
iter:  95 22:19:28   -20.662184  -1.13  -2.25    -2.0000
iter:  96 22:19:41   -20.626019  +0.17  -2.62    -2.0000
iter:  97 22:19:55   -20.596776  +0.66  -2.45    -2.0000
iter:  98 22:20:08   -20.657040  -0.12  -2.60    -2.0000
iter:  99 22:20:22   -20.657851  -0.18  -3.66    -2.0000
iter: 100 22:20:35   -20.597713  +0.68  -2.95    -2.0000
iter: 101 22:20:48   -20.032758  +1.62  -2.05    -2.0000
iter: 102 22:21:02   -20.663164  -0.55  -2.04    -2.0000
iter: 103 22:21:15   -20.643704  +0.05  -2.84    -2.0000
iter: 104 22:21:29   -20.653128  +0.08  -2.74    -2.0000
iter: 105 22:21:42   -20.131202  +1.22  -1.92    -2.0000
iter: 106 22:21:56   -20.666285  -0.30  -1.84    -2.0000
iter: 107 22:22:09   -20.672236  -0.60  -3.20    -2.0000
iter: 108 22:22:22   -20.672255c -0.60  -5.07c   -2.0000
iter: 109 22:22:36   -20.671538c -0.38  -3.16    -2.0000
iter: 110 22:22:49   -20.670333c -0.58  -3.08    -2.0000
iter: 111 22:23:03   -20.665429  -0.58  -3.18    -2.0000
iter: 112 22:23:16   -20.656369  -0.58  -2.84    -2.0000
iter: 113 22:23:30   -20.645694  -0.30  -2.63    -2.0000
iter: 114 22:23:43   -20.653015  -0.67  -3.08    -2.0000
iter: 115 22:23:57   -20.292867  +1.19  -2.37    -2.0000
iter: 116 22:24:10   -20.494197  +1.02  -2.59    -2.0000
iter: 117 22:24:23   -20.567656  +0.79  -2.89    -2.0000
iter: 118 22:24:37   -20.597094  +0.62  -2.43    -2.0000
iter: 119 22:24:50   -20.642664  -0.02  -2.65    -2.0000
iter: 120 22:25:04   -20.549434  +0.87  -2.41    -2.0000
iter: 121 22:25:17   -20.010994  +1.64  -2.08    -2.0000
iter: 122 22:25:31   -20.590578  +0.73  -2.15    -2.0000
iter: 123 22:25:44   -20.640847  -0.11  -2.49    -2.0000
iter: 124 22:25:57   -20.659577  -1.31  -2.76    -2.0000
iter: 125 22:26:11   -20.660831  -1.71  -3.37    -2.0000
iter: 126 22:26:24   -20.660083c -1.40  -3.79    -2.0000
iter: 127 22:26:38   -20.632311  +0.11  -2.37    -2.0000
iter: 128 22:26:51   -20.656239  -0.42  -2.25    -2.0000
iter: 129 22:27:05   -20.653678  -0.42  -2.78    -2.0000
iter: 130 22:27:18   -20.645374  -0.43  -2.47    -2.0000
iter: 131 22:27:32   -20.645816  -0.61  -2.40    -2.0000
iter: 132 22:27:45   -20.651211c -0.96  -3.15    -2.0000
iter: 133 22:27:58   -20.652547  -1.10  -3.55    -2.0000
iter: 134 22:28:12   -20.442469  +1.21  -2.26    -2.0000
iter: 135 22:28:25   -20.453909  +1.27  -2.13    -2.0000
iter: 136 22:28:39   -20.607198  +0.34  -2.25    -2.0000
iter: 137 22:28:52   -20.654311  -0.46  -2.88    -2.0000
iter: 138 22:29:06   -20.657346  -0.76  -3.64    -2.0000
iter: 139 22:29:19   -20.654095c -0.20  -3.36    -2.0000
iter: 140 22:29:33   -20.659019c -0.91  -3.42    -2.0000
iter: 141 22:29:46   -20.652088  -0.63  -3.27    -2.0000
iter: 142 22:30:00   -20.633715  +0.38  -2.51    -2.0000
iter: 143 22:30:13   -20.652136  -0.37  -2.46    -2.0000
iter: 144 22:30:26   -20.631717  -0.12  -2.60    -2.0000
iter: 145 22:30:40   -20.617041  -0.15  -2.56    -2.0000
iter: 146 22:30:53   -20.626174  -0.32  -2.46    -2.0000
iter: 147 22:31:07   -20.616874  +0.23  -2.55    -2.0000
iter: 148 22:31:20   -20.111447  +1.57  -1.89    -2.0000
iter: 149 22:31:34   -20.627952  -0.20  -1.87    -2.0000
iter: 150 22:31:47   -20.637538  -0.75  -3.00    -2.0000
iter: 151 22:32:00   -20.633570  -0.55  -3.43    -2.0000
iter: 152 22:32:14   -20.589785  +0.04  -2.31    -2.0000
iter: 153 22:32:27   -20.095709  +1.43  -1.99    -2.0000
iter: 154 22:32:41   -19.850281  +1.73  -2.12    -2.0000
iter: 155 22:32:54   -20.078192  +1.76  -2.11    -2.0000
iter: 156 22:33:08   -20.370325  +1.02  -2.11    -2.0000
iter: 157 22:33:21   -20.141172  +1.50  -2.16    -2.0000
iter: 158 22:33:34   -20.621347  +0.15  -2.17    -2.0000
iter: 159 22:33:48   -19.914010  +1.78  -1.97    -2.0000
iter: 160 22:34:01   -20.626154  +0.19  -2.00    -2.0000
iter: 161 22:34:15   -19.998803  +1.64  -1.88    -2.0000
iter: 162 22:34:28   -20.639150  -0.21  -1.87    -2.0000
iter: 163 22:34:42   -20.631934  -0.30  -2.81    -2.0000
iter: 164 22:34:55   -20.478811  +0.70  -2.21    -2.0000
iter: 165 22:35:09   -20.447719  +1.06  -1.61    -2.0000
iter: 166 22:35:22   -20.638964  +0.86  -2.04    -2.0000
iter: 167 22:35:35   -20.450483  +1.19  -1.82    -2.0000
iter: 168 22:35:49   -20.704683  +0.55  -2.05    -2.0000
iter: 169 22:36:02   -20.680809  +0.65  -3.00    -2.0000
iter: 170 22:36:16   -20.494290  +0.86  -2.01    -2.0000
iter: 171 22:36:29   -20.578416  +0.47  -2.10    -2.0000
iter: 172 22:36:43   -20.089657  +1.59  -2.16    -2.0000
iter: 173 22:36:56   -19.748122  +1.77  -2.00    -2.0000
iter: 174 22:37:09   -19.824740  +1.89  -2.19    -2.0000
iter: 175 22:37:23   -20.407088  +1.14  -2.21    -2.0000
iter: 176 22:37:36   -19.910811  +1.70  -2.18    -2.0000
iter: 177 22:37:50   -20.115991  +1.54  -2.06    -2.0000
iter: 178 22:38:03   -20.473638  +0.82  -1.96    -2.0000
iter: 179 22:38:17   -20.561739  +0.70  -2.55    -2.0000
iter: 180 22:38:30   -20.552130  +0.78  -2.37    -2.0000
iter: 181 22:38:43   -20.630376  -0.38  -2.49    -2.0000
iter: 182 22:38:57   -19.987321  +1.40  -1.86    -2.0000
iter: 183 22:39:10   -20.577676  +0.61  -1.71    -2.0000
iter: 184 22:39:24   -20.568684  +0.56  -2.26    -2.0000
iter: 185 22:39:37   -20.352213  +1.23  -1.63    -2.0000
iter: 186 22:39:51   -20.631779  +0.24  -1.87    -2.0000
iter: 187 22:40:04   -20.651373  -0.34  -2.67    -2.0000
iter: 188 22:40:18   -20.655523  -0.44  -3.22    -2.0000
iter: 189 22:40:31   -20.641643  -0.21  -2.85    -2.0000
iter: 190 22:40:44   -20.634500  -0.30  -2.63    -2.0000
iter: 191 22:40:58   -20.014326  +1.51  -2.07    -2.0000
iter: 192 22:41:11   -20.032884  +1.50  -2.00    -2.0000
iter: 193 22:41:25   -20.539898  +0.90  -2.21    -2.0000
iter: 194 22:41:38   -20.468884  +1.05  -2.47    -2.0000
iter: 195 22:41:52   -20.404656  +1.21  -2.57    -2.0000
iter: 196 22:42:05   -20.642541  -0.07  -2.56    -2.0000
iter: 197 22:42:18   -20.250444  +1.49  -2.06    -2.0000
iter: 198 22:42:32   -20.638585  +0.08  -2.04    -2.0000
iter: 199 22:42:45   -20.646544  -0.34  -2.74    -2.0000
iter: 200 22:42:59   -20.646825  -0.34  -4.28c   -2.0000
iter: 201 22:43:12   -20.619431  +0.16  -2.50    -2.0000
iter: 202 22:43:26   -20.551681  +0.66  -2.18    -2.0000
iter: 203 22:43:39   -20.446006  +1.19  -1.62    -2.0000
iter: 204 22:43:52   -20.399197  +1.51  -1.67    -2.0000
iter: 205 22:44:06   -20.321967  +1.72  -1.68    -2.0000
iter: 206 22:44:19   -20.394714  +1.54  -1.69    -2.0000
iter: 207 22:44:33   -20.495881  +1.33  -1.93    -2.0000
iter: 208 22:44:46   -20.406295  +1.37  -2.37    -2.0000
iter: 209 22:45:00   -20.376123  +1.58  -1.76    -2.0000
iter: 210 22:45:13   -20.087291  +1.82  -1.96    -2.0000
iter: 211 22:45:27   -19.493236  +2.14  -1.94    -2.0000
iter: 212 22:45:40   -19.304355  +2.08  -2.02    -2.0000
iter: 213 22:45:54   -19.478086  +2.08  -1.82    -2.0000
iter: 214 22:46:07   -19.075702  +2.16  -2.08    -2.0000
iter: 215 22:46:20   -19.392237  +1.98  -1.99    -2.0000
iter: 216 22:46:34   -19.026929  +2.23  -2.12    -2.0000
iter: 217 22:46:47   -20.150896  +1.80  -1.89    -2.0000
iter: 218 22:47:01   -20.890828  +1.13  -2.07    -2.0000
iter: 219 22:47:14   -21.047860  +0.95  -2.22    -2.0000
iter: 220 22:47:28   -20.970221  +1.02  -2.56    -2.0000
iter: 221 22:47:41   -20.313091  +1.60  -1.88    -2.0000
iter: 222 22:47:55   -20.848984  +1.31  -1.78    -2.0000
iter: 223 22:48:08   -20.514152  +1.50  -1.87    -2.0000
iter: 224 22:48:21   -20.195744  +1.40  -1.74    -2.0000
iter: 225 22:48:35   -19.982767  +1.27  -1.78    -2.0000
iter: 226 22:48:48   -19.971009  +1.13  -1.88    -2.0000
iter: 227 22:49:02   -19.591848  +1.65  -1.83    -2.0000
iter: 228 22:49:15   -19.825424  +1.29  -1.70    -2.0000
iter: 229 22:49:29   -20.012775  +1.26  -2.37    -2.0000
iter: 230 22:49:42   -19.725771  +1.47  -2.17    -2.0000
iter: 231 22:49:56   -18.992322  +2.06  -2.05    -2.0000
iter: 232 22:50:09   -19.498158  +1.81  -2.01    -2.0000
iter: 233 22:50:22   -19.784608  +1.54  -2.01    -2.0000
iter: 234 22:50:36   -19.909782  +1.57  -2.03    -2.0000
iter: 235 22:50:49   -19.597097  +1.78  -1.89    -2.0000
iter: 236 22:51:03   -19.287799  +1.95  -1.87    -2.0000
iter: 237 22:51:16   -20.231040  +1.11  -1.86    -2.0000
iter: 238 22:51:30   -20.355177  +0.63  -2.44    -2.0000
iter: 239 22:51:43   -20.225105  +0.98  -2.49    -2.0000
iter: 240 22:51:56   -19.829368  +1.18  -1.90    -2.0000
iter: 241 22:52:10   -19.839051  +1.41  -1.74    -2.0000
iter: 242 22:52:23   -19.751547  +1.65  -2.04    -2.0000
iter: 243 22:52:37   -19.727977  +1.42  -1.77    -2.0000
iter: 244 22:52:50   -19.704788  +1.20  -1.75    -2.0000
iter: 245 22:53:04   -19.641457  +1.25  -1.82    -2.0000
iter: 246 22:53:17   -19.675176  +1.37  -1.85    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 247 22:53:36   -19.006298  +0.68  -1.57    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 248 22:53:55   -19.655556  +1.04  -1.74    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 249 22:54:14   -19.034607  +0.37  -1.74    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 250 22:54:33   -19.724704  +0.83  -1.87    -2.0000
iter: 251 22:54:47   -19.619532  +0.74  -1.68    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 22:55:06   -19.611752  +0.31  -1.69    -2.0000
iter: 253 22:55:19   -19.303518  +0.35  -1.73    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 254 22:55:38   -19.972468  +0.69  -1.68    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 22:55:58   -19.659561  +0.35  -1.71    -2.0000
iter: 256 22:56:11   -19.329897  +0.43  -1.78    -2.0000
iter: 257 22:56:24   -19.096748  +0.50  -1.74    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 258 22:56:44   -20.216207  +0.55  -1.75    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 22:57:03   -19.309082  +0.39  -1.71    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 260 22:57:22   -20.304910  +0.44  -1.80    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 261 22:57:41   -19.499385  +0.33  -1.67    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 22:58:00   -20.720212  +0.29  -1.69    -2.0000
iter: 263 22:58:13   -20.833214  +0.01  -1.78    -2.0000
iter: 264 22:58:27   -20.914522  -0.12  -1.82    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 265 22:58:46   -20.091116  +0.60  -1.74    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 266 22:59:05   -20.076824  +0.13  -1.69    -2.0000
iter: 267 22:59:18   -20.265264  +0.19  -1.68    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 268 22:59:37   -20.423310  +0.45  -1.66    -2.0000
iter: 269 22:59:51   -20.556956  +0.44  -1.69    -2.0000
iter: 270 23:00:04   -20.644096  +0.43  -1.61    -2.0000
iter: 271 23:00:18   -20.639777  +0.21  -1.66    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 272 23:00:37   -20.866342  +0.65  -1.76    -2.0000
iter: 273 23:00:50   -20.943935  +0.39  -1.66    -2.0000
iter: 274 23:01:04   -20.987441  +0.25  -1.72    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 275 23:01:23   -20.995064  +0.73  -1.86    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 276 23:01:42   -21.220990  +0.43  -1.74    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 277 23:02:01   -21.375314  +0.96  -1.73    -2.0000
iter: 278 23:02:14   -21.022185  +0.90  -1.72    -2.0000
iter: 279 23:02:28   -20.856267  +0.81  -1.83    -2.0000
iter: 280 23:02:41   -20.939943  +0.80  -1.79    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 281 23:03:00   -21.223747  +0.73  -1.84    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 282 23:03:19   -21.455937  +0.73  -1.74    -2.0000
iter: 283 23:03:33   -21.467358  +0.43  -1.69    -2.0000
iter: 284 23:03:46   -21.512141  +0.24  -1.89    -2.0000
iter: 285 23:04:00   -21.689008  +0.33  -1.86    -2.0000
iter: 286 23:04:13   -21.768643  +0.37  -1.89    -2.0000
iter: 287 23:04:26   -21.823751  +0.42  -1.80    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 23:04:46   -21.359680  +0.91  -1.64    -2.0000
iter: 289 23:05:00   -21.350390  +0.86  -1.59    -2.0000
iter: 290 23:05:13   -21.459987  +0.61  -1.88    -2.0000
iter: 291 23:05:27   -21.532560  +0.48  -1.93    -2.0000
iter: 292 23:05:40   -21.530745  +0.04  -1.96    -2.0000
iter: 293 23:05:54   -21.513054  -0.05  -1.82    -2.0000
iter: 294 23:06:07   -21.527866  +0.24  -1.90    -2.0000
iter: 295 23:06:20   -21.553669  +0.18  -1.78    -2.0000
iter: 296 23:06:34   -21.578844  +0.25  -1.86    -2.0000
iter: 297 23:06:47   -21.595856  +0.38  -1.95    -2.0000
iter: 298 23:07:01   -21.599540  +0.51  -1.94    -2.0000
iter: 299 23:07:14   -21.596866c +0.66  -1.97    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 23:07:33   -21.594698c +0.51  -1.48    -2.0000
iter: 301 23:07:47   -21.647240  +0.39  -1.91    -2.0000
iter: 302 23:08:00   -21.600750  +0.16  -2.24    -2.0000
iter: 303 23:08:14   -21.632698  +0.44  -1.69    -2.0000
iter: 304 23:08:27   -21.637471  +0.63  -1.87    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 23:08:46   -21.582703  +0.32  -1.59    -2.0000
iter: 306 23:09:00   -21.593607  +0.34  -2.77    -2.0000
iter: 307 23:09:13   -21.567978  -0.01  -2.37    -2.0000
iter: 308 23:09:26   -21.573318  +0.02  -2.54    -2.0000
iter: 309 23:09:40   -21.525854  +0.28  -1.91    -2.0000
iter: 310 23:09:54   -21.496303  +0.46  -1.86    -2.0000
iter: 311 23:10:08   -21.473610  +0.71  -1.76    -2.0000
iter: 312 23:10:21   -21.456764  +0.94  -1.71    -2.0000
iter: 313 23:10:34   -21.392752  +0.52  -1.71    -2.0000
iter: 314 23:10:48   -21.440803  +0.70  -1.70    -2.0000
iter: 315 23:11:01   -21.456305  +0.98  -1.96    -2.0000
iter: 316 23:11:15   -21.453581  +1.05  -1.70    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 23:11:34   -21.414597  +0.39  -1.58    -2.0000
iter: 318 23:11:47   -21.480727  +0.49  -1.58    -2.0000
iter: 319 23:12:01   -21.466102  +0.18  -1.91    -2.0000
iter: 320 23:12:14   -21.478652  +0.17  -2.22    -2.0000
iter: 321 23:12:28   -21.465214  -0.13  -1.78    -2.0000
iter: 322 23:12:41   -21.431549  -0.12  -1.81    -2.0000
iter: 323 23:12:54   -21.439700  -0.71  -2.22    -2.0000
iter: 324 23:13:08   -21.443325  -1.37  -2.21    -2.0000
iter: 325 23:13:21   -21.442715c -1.18  -3.06    -2.0000
iter: 326 23:13:35   -21.466851  -0.15  -1.81    -2.0000
iter: 327 23:13:48   -21.443958  -1.48  -2.01    -2.0000
iter: 328 23:14:02   -21.443574  -1.70  -2.57    -2.0000
iter: 329 23:14:15   -21.442095c -1.43  -2.46    -2.0000
iter: 330 23:14:29   -21.448721  -1.27  -1.79    -2.0000
iter: 331 23:14:42   -21.453422  -0.35  -1.93    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 23:15:01   -21.842202  +0.76  -1.77    -2.0000
iter: 333 23:15:15   -21.552185  +0.84  -1.66    -2.0000
iter: 334 23:15:28   -21.474804  +0.33  -1.75    -2.0000
iter: 335 23:15:41   -21.605013  +0.57  -1.73    -2.0000
iter: 336 23:15:55   -21.439933  +1.06  -1.62    -2.0000
iter: 337 23:16:08   -21.471146  +0.63  -1.65    -2.0000
iter: 338 23:16:22   -21.429843  +0.28  -1.71    -2.0000
iter: 339 23:16:35   -21.446935  -1.32  -1.87    -2.0000
iter: 340 23:16:49   -21.445001  -0.95  -2.97    -2.0000
iter: 341 23:17:02   -21.450419c -1.45  -2.18    -2.0000
iter: 342 23:17:16   -21.450907c -1.45  -3.09    -2.0000
iter: 343 23:17:29   -21.449797c -2.00  -2.50    -2.0000
iter: 344 23:17:42   -21.441732  -0.87  -2.06    -2.0000
iter: 345 23:17:56   -21.452411  -1.58  -1.79    -2.0000
iter: 346 23:18:09   -21.451491  -1.34  -3.14    -2.0000
iter: 347 23:18:23   -21.457481c -1.21  -1.78    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 23:18:42   -21.471513  +0.22  -2.06    -2.0000
iter: 349 23:18:55   -21.467694  +0.22  -3.48    -2.0000
iter: 350 23:19:09   -21.461421  -0.41  -1.75    -2.0000
iter: 351 23:19:22   -21.430112  -0.67  -1.78    -2.0000
iter: 352 23:19:36   -21.435099  -1.13  -2.44    -2.0000
iter: 353 23:19:49   -21.444523  -0.49  -1.75    -2.0000
iter: 354 23:20:03   -21.451956  -0.27  -1.80    -2.0000
iter: 355 23:20:16   -21.437249  -0.47  -2.42    -2.0000
iter: 356 23:20:29   -21.439476  -1.57  -2.56    -2.0000
iter: 357 23:20:43   -21.439546c -1.88  -2.78    -2.0000
iter: 358 23:20:56   -21.439077c -1.75  -2.88    -2.0000
iter: 359 23:21:10   -21.442306c -1.45  -2.06    -2.0000
iter: 360 23:21:23   -21.441514c -1.18  -3.24    -2.0000
iter: 361 23:21:37   -21.450730  -1.23  -1.92    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 23:21:56   -21.429714  +0.03  -2.10    -2.0000
iter: 363 23:22:09   -21.447746  -1.48  -2.36    -2.0000
iter: 364 23:22:23   -21.436217  -0.39  -2.07    -2.0000
iter: 365 23:22:36   -21.448028  -0.35  -2.22    -2.0000
iter: 366 23:22:49   -21.469920  -0.31  -1.85    -2.0000
iter: 367 23:23:03   -21.451695  -1.23  -2.13    -2.0000
iter: 368 23:23:16   -21.452324  -1.95  -2.91    -2.0000
iter: 369 23:23:30   -21.452343c -2.13  -2.89    -2.0000
iter: 370 23:23:43   -21.452461c -2.02  -3.09    -2.0000
iter: 371 23:23:57   -21.452272c -2.04  -2.95    -2.0000
iter: 372 23:24:10   -21.452848c -1.48  -2.68    -2.0000
iter: 373 23:24:23   -21.452857c -1.97  -2.32    -2.0000
iter: 374 23:24:37   -21.451882c -1.36  -3.04    -2.0000
iter: 375 23:24:50   -21.456463c -1.42  -2.10    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 23:25:09   -21.435402  -0.07  -2.14    -2.0000
iter: 377 23:25:23   -21.453006  -0.97  -2.26    -2.0000
iter: 378 23:25:36   -21.447604  -1.14  -2.04    -2.0000
iter: 379 23:25:50   -21.443055  -0.81  -2.55    -2.0000
iter: 380 23:26:03   -21.452597  -0.42  -2.05    -2.0000
iter: 381 23:26:17   -21.451526  -1.35  -2.04    -2.0000
iter: 382 23:26:30   -21.452538c -1.53  -2.75    -2.0000
iter: 383 23:26:44   -21.451713c -1.96  -2.51    -2.0000
iter: 384 23:26:57   -21.451651c -1.96  -3.37    -2.0000
iter: 385 23:27:10   -21.451622c -2.13  -3.39    -2.0000
iter: 386 23:27:24   -21.451682c -2.00  -3.29    -2.0000
iter: 387 23:27:37   -21.432016  -0.52  -1.80    -2.0000
iter: 388 23:27:51   -21.450989  -1.25  -1.81    -2.0000
iter: 389 23:28:04   -21.455658  -1.99  -1.89    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 23:28:23   -21.432107  -0.13  -2.17    -2.0000
iter: 391 23:28:36   -21.446887  -1.32  -2.31    -2.0000
iter: 392 23:28:50   -21.444411  -1.09  -2.01    -2.0000
iter: 393 23:29:03   -21.435600  -0.62  -2.54    -2.0000
iter: 394 23:29:17   -21.450725  +0.31  -1.79    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 23:29:36   -21.434480  -0.37  -2.27    -2.0000
iter: 396 23:29:49   -21.445801  -1.05  -2.67    -2.0000
iter: 397 23:30:03   -21.443726  -0.62  -1.87    -2.0000
iter: 398 23:30:16   -21.391161  +0.48  -1.73    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 23:30:35   -21.676679  +0.64  -1.70    -2.0000
iter: 400 23:30:49   -21.432558  +0.85  -1.72    -2.0000
iter: 401 23:31:02   -21.447944  +0.25  -1.76    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 23:31:21   -21.623468  +0.50  -1.72    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 23:31:40   -21.561067  +0.13  -1.82    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 23:31:59   -21.871703  +0.71  -1.79    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 23:32:18   -21.710209  +0.33  -1.86    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 23:32:37   -22.186815  +0.79  -1.74    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 23:32:57   -21.911439  +0.42  -1.71    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 23:33:16   -21.771620  +0.59  -1.74    -2.0000
iter: 409 23:33:29   -21.599867  +0.33  -1.78    -2.0000
iter: 410 23:33:42   -21.588469  -0.06  -1.78    -2.0000
iter: 411 23:33:56   -21.571335  -0.20  -1.89    -2.0000
iter: 412 23:34:09   -21.535420  +0.29  -1.78    -2.0000
iter: 413 23:34:23   -21.571788  +0.51  -1.82    -2.0000
iter: 414 23:34:36   -21.610794  +0.31  -1.74    -2.0000
iter: 415 23:34:50   -21.640766  +0.09  -1.69    -2.0000
iter: 416 23:35:03   -21.655033  +0.03  -1.67    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 23:35:22   -22.014740  +0.63  -1.73    -2.0000
iter: 418 23:35:36   -21.780317  +0.86  -1.73    -2.0000
iter: 419 23:35:49   -21.849664  +0.25  -1.85    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 23:36:08   -22.406124  +0.80  -1.50    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 23:36:27   -21.783982  +0.10  -1.74    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 23:36:46   -21.948667  +0.60  -1.72    -2.0000
iter: 423 23:37:00   -21.749643  +0.55  -1.76    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 23:37:19   -22.423826  +0.92  -1.56    -2.0000
iter: 425 23:37:32   -22.449400  +0.83  -1.72    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 23:37:51   -21.855372  +0.06  -1.71    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 23:38:10   -22.417506  +0.99  -1.74    -2.0000
iter: 428 23:38:24   -22.583191  +0.77  -1.69    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 23:38:43   -22.761802  +1.20  -1.58    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 23:39:02   -21.783023  +1.11  -1.66    -2.0000
iter: 431 23:39:15   -21.440583  +1.12  -1.82    -2.0000
iter: 432 23:39:29   -21.409260  +1.02  -1.87    -2.0000
iter: 433 23:39:42   -21.457054  +1.01  -1.99    -2.0000
iter: 434 23:39:56   -21.517464  +1.07  -1.84    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 23:40:15   -21.845394  +0.65  -1.64    -2.0000
iter: 436 23:40:28   -21.698664  +0.92  -1.65    -2.0000
iter: 437 23:40:42   -21.760727  +0.20  -1.74    -2.0000
iter: 438 23:40:55   -21.745352  +0.31  -2.06    -2.0000
iter: 439 23:41:08   -21.757111  +0.00  -1.88    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 23:41:28   -21.694520  +0.70  -1.73    -2.0000
iter: 441 23:41:41   -21.570886  +0.26  -1.89    -2.0000
iter: 442 23:41:54   -21.539024  +0.55  -2.09    -2.0000
iter: 443 23:42:08   -21.606954  +0.56  -1.67    -2.0000
iter: 444 23:42:21   -21.574393  +0.64  -1.70    -2.0000
iter: 445 23:42:35   -21.494426  +0.87  -1.61    -2.0000
iter: 446 23:42:48   -21.547235  +0.82  -1.65    -2.0000
iter: 447 23:43:01   -21.587119  +0.80  -1.67    -2.0000
iter: 448 23:43:15   -21.620117  +0.71  -1.74    -2.0000
iter: 449 23:43:28   -21.639747  +0.52  -1.89    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 23:43:47   -21.538861  +0.81  -1.72    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 23:44:06   -21.837948  +0.39  -1.80    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 23:44:26   -21.708167  +0.18  -1.54    -2.0000
iter: 453 23:44:39   -21.732413  +0.25  -1.83    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 23:44:58   -21.564598  +0.64  -1.93    -2.0000
iter: 455 23:45:12   -21.578406  +0.25  -1.81    -2.0000
iter: 456 23:45:25   -21.466254  +0.44  -1.81    -2.0000
iter: 457 23:45:39   -21.440385  +0.21  -2.17    -2.0000
iter: 458 23:45:52   -21.405491  +0.03  -1.91    -2.0000
iter: 459 23:46:05   -21.423279  -0.06  -1.88    -2.0000
iter: 460 23:46:19   -21.438130  -0.58  -2.12    -2.0000
iter: 461 23:46:32   -21.431483  -1.03  -1.78    -2.0000
iter: 462 23:46:46   -21.430357  -1.14  -2.13    -2.0000
iter: 463 23:46:59   -21.424813  -0.79  -2.54    -2.0000
iter: 464 23:47:13   -21.442978  -0.96  -1.78    -2.0000
iter: 465 23:47:26   -21.438656  -0.46  -2.15    -2.0000
iter: 466 23:47:39   -21.454972  -0.80  -1.66    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 23:47:58   -21.868306  +0.49  -1.81    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 23:48:18   -21.458571  -0.63  -1.89    -2.0000
iter: 469 23:48:31   -21.464077  -0.82  -2.37    -2.0000
iter: 470 23:48:44   -21.462486c -0.96  -2.15    -2.0000
iter: 471 23:48:58   -21.459217c -1.23  -1.78    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 23:49:17   -22.156743  +0.67  -1.77    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 23:49:36   -21.941298  +0.64  -1.75    -2.0000
iter: 474 23:49:50   -21.714232  +0.45  -1.80    -2.0000
iter: 475 23:50:03   -21.620924  +0.34  -1.80    -2.0000
iter: 476 23:50:16   -21.625542  +0.58  -1.86    -2.0000
iter: 477 23:50:30   -21.664644  +0.80  -1.79    -2.0000
iter: 478 23:50:43   -21.461700  +1.28  -1.78    -2.0000
iter: 479 23:50:57   -21.339187  +1.24  -1.82    -2.0000
iter: 480 23:51:10   -21.427753  +0.41  -1.68    -2.0000
iter: 481 23:51:24   -21.443528  -0.86  -1.75    -2.0000
iter: 482 23:51:37   -21.449995  -0.58  -2.01    -2.0000
iter: 483 23:51:51   -21.451784  -0.80  -3.05    -2.0000
iter: 484 23:52:04   -21.461633  -0.79  -1.81    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 23:52:23   -21.568575  +0.43  -1.77    -2.0000
iter: 486 23:52:37   -21.472083  +0.07  -1.80    -2.0000
iter: 487 23:52:50   -21.505444  +0.11  -2.17    -2.0000
iter: 488 23:53:03   -21.472242  -0.14  -1.72    -2.0000
iter: 489 23:53:17   -21.434071  -0.21  -1.75    -2.0000
iter: 490 23:53:30   -21.439763  -0.46  -2.83    -2.0000
iter: 491 23:53:44   -21.448592  -1.71  -2.10    -2.0000
iter: 492 23:53:57   -21.447744  -1.49  -2.55    -2.0000
iter: 493 23:54:11   -21.447972c -1.55  -3.38    -2.0000
iter: 494 23:54:24   -21.448152c -2.07  -2.64    -2.0000
iter: 495 23:54:37   -21.446180c -1.35  -2.68    -2.0000
iter: 496 23:54:51   -21.457952  -0.85  -1.78    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 23:55:10   -21.445558  -0.19  -2.14    -2.0000
iter: 498 23:55:23   -21.470757  -0.35  -2.23    -2.0000
iter: 499 23:55:37   -21.453916  -1.31  -2.06    -2.0000
iter: 500 23:55:50   -21.450242  -1.00  -2.21    -2.0000
iter: 501 23:56:04   -21.448167c -0.95  -3.06    -2.0000
iter: 502 23:56:17   -21.451424c -0.92  -2.33    -2.0000
iter: 503 23:56:31   -21.454826  -1.70  -2.15    -2.0000
iter: 504 23:56:44   -21.454777c -2.16  -3.04    -2.0000
iter: 505 23:56:58   -21.452756c -0.72  -2.01    -2.0000
iter: 506 23:57:11   -21.453332c -0.72  -3.47    -2.0000
iter: 507 23:57:24   -21.458721c -1.53  -1.80    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 23:57:43   -21.447644  -0.24  -2.23    -2.0000
iter: 509 23:57:57   -21.473790  -0.20  -2.32    -2.0000
iter: 510 23:58:10   -21.451752  -1.56  -2.03    -2.0000
iter: 511 23:58:24   -21.450988  -0.90  -2.41    -2.0000
iter: 512 23:58:37   -21.447098c -0.88  -2.77    -2.0000
iter: 513 23:58:50   -21.464050  -0.26  -1.73    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 23:59:10   -21.453974  -0.99  -2.31    -2.0000
iter: 515 23:59:23   -21.449520  -0.93  -2.32    -2.0000
iter: 516 23:59:36   -21.448568c -0.89  -3.42    -2.0000
iter: 517 23:59:50   -21.462910  -0.35  -1.86    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 00:00:09   -21.582641  +0.13  -1.71    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 00:00:28   -21.652372  +0.48  -1.84    -2.0000
iter: 520 00:00:41   -21.495884  -0.21  -1.94    -2.0000
iter: 521 00:00:55   -21.448151  -0.05  -1.81    -2.0000
iter: 522 00:01:08   -21.470944  -0.30  -1.87    -2.0000
iter: 523 00:01:22   -21.454620  -0.90  -1.90    -2.0000
iter: 524 00:01:35   -21.455699  -0.92  -2.01    -2.0000
iter: 525 00:01:48   -21.451803c -0.48  -2.51    -2.0000
iter: 526 00:02:02   -21.459419  -0.08  -1.71    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 00:02:21   -21.780299  +0.57  -1.76    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 00:02:40   -21.566140  +0.18  -1.65    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 00:02:59   -22.085000  +0.78  -1.76    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 00:03:18   -22.545245  +0.72  -1.72    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 00:03:37   -21.735188  +0.57  -1.79    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 00:03:56   -22.970664  +0.68  -1.46    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 00:04:15   -21.614400  +0.74  -1.56    -2.0000
iter: 534 00:04:29   -21.711922  +0.56  -1.56    -2.0000
iter: 535 00:04:42   -21.691896  +0.91  -1.69    -2.0000
iter: 536 00:04:56   -21.615057  +1.03  -1.73    -2.0000
iter: 537 00:05:09   -21.557276  +1.20  -1.73    -2.0000
iter: 538 00:05:22   -21.573965  +1.19  -1.75    -2.0000
iter: 539 00:05:36   -21.529594  +1.31  -1.74    -2.0000
iter: 540 00:05:49   -21.495700  +1.41  -1.80    -2.0000
iter: 541 00:06:03   -21.510055  +1.42  -1.95    -2.0000
iter: 542 00:06:16   -21.509393  +1.48  -2.10    -2.0000
iter: 543 00:06:30   -21.518730  +1.36  -1.90    -2.0000
iter: 544 00:06:43   -21.514596  +1.23  -1.81    -2.0000
iter: 545 00:06:56   -21.515728c +1.25  -1.85    -2.0000
iter: 546 00:07:10   -21.517078c +1.21  -2.26    -2.0000
iter: 547 00:07:23   -21.517172c +1.20  -3.38    -2.0000
iter: 548 00:07:37   -21.515299c +1.24  -2.55    -2.0000
iter: 549 00:07:50   -21.515242c +1.24  -3.65    -2.0000
iter: 550 00:08:03   -21.513832c +1.24  -2.64    -2.0000
iter: 551 00:08:17   -21.510176c +1.08  -1.75    -2.0000
iter: 552 00:08:30   -21.680492  +0.88  -1.71    -2.0000
iter: 553 00:08:44   -21.618485  +0.89  -1.52    -2.0000
iter: 554 00:08:57   -21.570017  +0.77  -1.74    -2.0000
iter: 555 00:09:11   -21.562859  +0.76  -1.80    -2.0000
iter: 556 00:09:24   -21.550434  +0.75  -1.76    -2.0000
iter: 557 00:09:37   -21.562714  +0.65  -1.76    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 00:09:57   -22.023161  +0.91  -1.72    -2.0000
iter: 559 00:10:10   -21.752787  +0.89  -1.62    -2.0000
iter: 560 00:10:23   -21.608290  +0.73  -1.83    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 00:10:42   -21.791107  +1.07  -1.78    -2.0000
iter: 562 00:10:56   -21.545036  +0.68  -1.72    -2.0000
iter: 563 00:11:09   -21.457154  +0.35  -1.94    -2.0000
iter: 564 00:11:23   -21.667510  +0.56  -1.79    -2.0000
iter: 565 00:11:36   -21.483528  +0.36  -1.77    -2.0000
iter: 566 00:11:50   -21.489496  -0.28  -1.90    -2.0000
iter: 567 00:12:03   -21.538575  +0.08  -2.00    -2.0000
iter: 568 00:12:16   -21.482719  -0.21  -2.02    -2.0000
iter: 569 00:12:30   -21.451984  -0.73  -1.91    -2.0000
iter: 570 00:12:43   -21.447179  -1.01  -2.00    -2.0000
iter: 571 00:12:57   -21.442877  -0.48  -2.24    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 00:13:16   -21.846602  +0.58  -1.80    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 00:13:35   -21.546648  +0.29  -1.81    -2.0000
iter: 574 00:13:48   -21.442249  -0.43  -1.86    -2.0000
iter: 575 00:14:02   -21.456713  -0.59  -2.35    -2.0000
iter: 576 00:14:15   -21.447138  -1.44  -2.50    -2.0000
iter: 577 00:14:28   -21.442277  -0.92  -2.29    -2.0000
iter: 578 00:14:42   -21.442898c -1.22  -2.50    -2.0000
iter: 579 00:14:55   -21.442681c -1.26  -3.33    -2.0000
iter: 580 00:15:09   -21.405374  +0.05  -1.79    -2.0000
iter: 581 00:15:22   -21.440632  -0.50  -1.83    -2.0000
iter: 582 00:15:36   -21.458552  -0.45  -1.68    -2.0000
iter: 583 00:15:49   -21.463657  -1.33  -1.66    -2.0000
iter: 584 00:16:03   -21.464073c -1.71  -2.91    -2.0000
iter: 585 00:16:16   -21.463998c -1.90  -2.73    -2.0000
iter: 586 00:16:29   -21.462351c -1.36  -2.53    -2.0000
iter: 587 00:16:43   -21.467335c -1.34  -1.82    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 00:17:02   -22.099852  +0.80  -1.79    -2.0000
iter: 589 00:17:15   -21.868888  +0.47  -1.84    -2.0000
iter: 590 00:17:29   -21.690986  +0.52  -1.85    -2.0000
iter: 591 00:17:42   -21.637283  +1.11  -1.80    -2.0000
iter: 592 00:17:56   -21.528295  +1.20  -1.84    -2.0000
iter: 593 00:18:09   -21.437309  +1.13  -1.79    -2.0000
iter: 594 00:18:23   -21.377989  +1.02  -1.79    -2.0000
iter: 595 00:18:36   -21.399507  +0.99  -1.79    -2.0000
iter: 596 00:18:49   -21.444586  +0.16  -1.67    -2.0000
iter: 597 00:19:03   -21.416071  +0.82  -1.77    -2.0000
iter: 598 00:19:16   -21.489975  +0.99  -1.84    -2.0000
iter: 599 00:19:30   -21.414650  +0.87  -1.82    -2.0000
iter: 600 00:19:43   -21.389043  +0.64  -1.81    -2.0000
iter: 601 00:19:57   -21.415725  +0.29  -1.84    -2.0000
iter: 602 00:20:10   -21.420221  +0.22  -1.73    -2.0000
iter: 603 00:20:23   -21.435140  -0.91  -2.12    -2.0000
iter: 604 00:20:37   -21.435321  -1.20  -2.85    -2.0000
iter: 605 00:20:50   -21.435336c -1.18  -4.04c   -2.0000
iter: 606 00:21:04   -21.439556c -0.66  -2.10    -2.0000
iter: 607 00:21:17   -21.443495  -0.91  -2.39    -2.0000
iter: 608 00:21:31   -21.443283c -0.91  -4.07c   -2.0000
iter: 609 00:21:44   -21.443147c -1.45  -2.89    -2.0000
iter: 610 00:21:57   -21.442768c -1.32  -2.51    -2.0000
iter: 611 00:22:11   -21.447876c -0.26  -1.77    -2.0000
iter: 612 00:22:24   -21.441813  -1.43  -1.76    -2.0000
iter: 613 00:22:38   -21.441720  -1.78  -2.78    -2.0000
iter: 614 00:22:51   -21.443088c -1.60  -2.67    -2.0000
iter: 615 00:23:05   -21.419183  -0.14  -1.80    -2.0000
iter: 616 00:23:18   -21.440963  -0.56  -1.85    -2.0000
iter: 617 00:23:31   -21.457235  -0.72  -1.79    -2.0000
iter: 618 00:23:45   -21.469160  -0.59  -1.80    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 00:24:04   -21.440680  +0.03  -1.92    -2.0000
iter: 620 00:24:17   -21.482578  +0.16  -2.37    -2.0000
iter: 621 00:24:31   -21.458647  -0.56  -2.05    -2.0000
iter: 622 00:24:44   -21.464848  -0.28  -2.02    -2.0000
iter: 623 00:24:58   -21.431177  -0.59  -1.91    -2.0000
iter: 624 00:25:11   -21.435206  -0.87  -2.68    -2.0000
iter: 625 00:25:25   -21.440808  -1.67  -2.36    -2.0000
iter: 626 00:25:38   -21.440687c -1.96  -2.90    -2.0000
iter: 627 00:25:51   -21.441688c -1.60  -2.45    -2.0000
iter: 628 00:26:05   -21.441009c -1.82  -2.41    -2.0000
iter: 629 00:26:18   -21.438814c -1.26  -2.73    -2.0000
iter: 630 00:26:32   -21.450422  -1.07  -1.81    -2.0000
iter: 631 00:26:45   -21.455955  -1.34  -1.83    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 00:27:04   -21.471603  -0.04  -1.84    -2.0000
iter: 633 00:27:18   -21.467854  -0.04  -3.19    -2.0000
iter: 634 00:27:31   -21.480907  -0.14  -2.58    -2.0000
iter: 635 00:27:44   -21.510429  +0.12  -1.83    -2.0000
iter: 636 00:27:58   -21.433250  -0.69  -1.82    -2.0000
iter: 637 00:28:11   -21.438717  -1.47  -2.40    -2.0000
iter: 638 00:28:25   -21.442973  -1.01  -2.28    -2.0000
iter: 639 00:28:38   -21.444495c -2.04  -2.76    -2.0000
iter: 640 00:28:52   -21.444439c -2.10  -3.34    -2.0000
iter: 641 00:29:05   -21.444371c -1.90  -3.12    -2.0000
iter: 642 00:29:18   -21.444453c -1.93  -3.23    -2.0000
iter: 643 00:29:32   -21.443569c -0.74  -1.78    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 00:29:51   -21.426582  +0.14  -2.02    -2.0000
iter: 645 00:30:04   -21.532921  +0.25  -1.98    -2.0000
iter: 646 00:30:18   -21.444704  -1.30  -1.98    -2.0000
iter: 647 00:30:31   -21.444126  -1.10  -2.68    -2.0000
iter: 648 00:30:45   -21.440905c -0.98  -3.00    -2.0000
iter: 649 00:30:58   -21.456107  -1.07  -2.05    -2.0000
iter: 650 00:31:12   -21.450877  -1.09  -2.32    -2.0000
iter: 651 00:31:25   -21.451036c -1.98  -2.36    -2.0000
iter: 652 00:31:38   -21.448968c -0.92  -2.28    -2.0000
iter: 653 00:31:52   -21.451163c -2.25  -2.46    -2.0000
iter: 654 00:32:05   -21.451493c -2.18  -2.97    -2.0000
iter: 655 00:32:19   -21.455799c -0.53  -1.77    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 00:32:38   -21.435543  +0.05  -2.08    -2.0000
iter: 657 00:32:51   -21.497227  +0.24  -2.24    -2.0000
iter: 658 00:33:05   -21.445121  -0.83  -2.00    -2.0000
iter: 659 00:33:18   -21.440416  -1.18  -2.55    -2.0000
iter: 660 00:33:31   -21.433667  -0.71  -2.43    -2.0000
iter: 661 00:33:45   -21.449091  -0.33  -1.75    -2.0000
iter: 662 00:33:58   -21.444028  -1.52  -1.77    -2.0000
iter: 663 00:34:12   -21.444173c -1.60  -3.16    -2.0000
iter: 664 00:34:25   -21.444319c -2.07  -2.80    -2.0000
iter: 665 00:34:39   -21.443667c -1.84  -2.99    -2.0000
iter: 666 00:34:52   -21.448393c -1.20  -2.02    -2.0000
iter: 667 00:35:05   -21.444988c -1.09  -2.06    -2.0000
iter: 668 00:35:19   -21.444278c -0.93  -3.27    -2.0000
iter: 669 00:35:32   -21.449306c -1.91  -2.01    -2.0000
iter: 670 00:35:46   -21.457809  -1.05  -1.87    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 00:36:05   -21.455502  +0.02  -1.91    -2.0000
iter: 672 00:36:18   -21.488959  +0.11  -2.44    -2.0000
iter: 673 00:36:32   -21.477203  -0.35  -2.15    -2.0000
iter: 674 00:36:45   -21.500417  -0.01  -2.08    -2.0000
iter: 675 00:36:58   -21.435866  -0.62  -1.79    -2.0000
iter: 676 00:37:12   -21.441083  -1.37  -2.32    -2.0000
iter: 677 00:37:25   -21.445015  -1.54  -2.42    -2.0000
iter: 678 00:37:39   -21.445304c -1.89  -3.16    -2.0000
iter: 679 00:37:52   -21.446101c -1.61  -2.43    -2.0000
iter: 680 00:38:06   -21.445251c -2.02  -2.52    -2.0000
iter: 681 00:38:19   -21.444702c -1.74  -2.91    -2.0000
iter: 682 00:38:32   -21.449046c -1.27  -1.90    -2.0000
iter: 683 00:38:46   -21.449268c -1.34  -3.76    -2.0000
iter: 684 00:38:59   -21.455800  -1.58  -2.03    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 00:39:18   -21.436196  -0.11  -2.11    -2.0000
iter: 686 00:39:32   -21.500364  +0.11  -2.19    -2.0000
iter: 687 00:39:45   -21.447752  -1.22  -2.17    -2.0000
iter: 688 00:39:59   -21.448674  -0.44  -1.94    -2.0000
iter: 689 00:40:12   -21.435867  -0.57  -2.48    -2.0000
iter: 690 00:40:26   -21.440269  -0.78  -2.57    -2.0000
iter: 691 00:40:39   -21.447227  -1.53  -2.15    -2.0000
iter: 692 00:40:52   -21.447536  -2.00  -3.13    -2.0000
iter: 693 00:41:06   -21.447485c -2.12  -3.02    -2.0000
iter: 694 00:41:19   -21.447511c -2.02  -3.02    -2.0000
iter: 695 00:41:33   -21.447438c -2.00  -3.42    -2.0000
iter: 696 00:41:46   -21.448985c -1.40  -2.02    -2.0000
iter: 697 00:42:00   -21.449727c -1.78  -2.88    -2.0000
iter: 698 00:42:13   -21.455312  -1.16  -2.18    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 00:42:32   -21.438181  -0.15  -2.25    -2.0000
iter: 700 00:42:45   -21.497935  +0.03  -2.22    -2.0000
iter: 701 00:42:59   -21.448729  -1.53  -2.18    -2.0000
iter: 702 00:43:12   -21.437825  -0.10  -2.09    -2.0000
iter: 703 00:43:26   -21.449937  +0.01  -2.68    -2.0000
iter: 704 00:43:39   -21.454297  -1.38  -1.83    -2.0000
iter: 705 00:43:53   -21.454331c -1.38  -4.44c   -2.0000
iter: 706 00:44:06   -21.452445c -2.10  -2.27    -2.0000
iter: 707 00:44:19   -21.451909c -1.92  -2.82    -2.0000
iter: 708 00:44:33   -21.453276c -1.98  -2.41    -2.0000
iter: 709 00:44:46   -21.415472  +0.20  -1.70    -2.0000
iter: 710 00:45:00   -21.451468  -0.91  -1.73    -2.0000
iter: 711 00:45:13   -21.456812  -1.66  -1.97    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 00:45:32   -21.434529  -0.08  -2.15    -2.0000
iter: 713 00:45:46   -21.503511  +0.09  -2.12    -2.0000
iter: 714 00:45:59   -21.446544  -1.35  -2.05    -2.0000
iter: 715 00:46:13   -21.445897  -1.27  -2.70    -2.0000
iter: 716 00:46:26   -21.442234c -1.01  -2.91    -2.0000
iter: 717 00:46:39   -21.449519  -1.86  -2.39    -2.0000
iter: 718 00:46:53   -21.449671  -2.04  -2.93    -2.0000
iter: 719 00:47:06   -21.449571c -2.10  -3.29    -2.0000
iter: 720 00:47:20   -21.447740c -0.75  -2.07    -2.0000
iter: 721 00:47:33   -21.450376c -1.79  -2.30    -2.0000
iter: 722 00:47:46   -21.451079c -0.81  -1.79    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 00:48:05   -21.427098  +0.05  -2.07    -2.0000
iter: 724 00:48:19   -21.525800  +0.24  -2.03    -2.0000
iter: 725 00:48:32   -21.443207  -1.13  -1.95    -2.0000
iter: 726 00:48:46   -21.441150  -1.19  -2.67    -2.0000
iter: 727 00:48:59   -21.440279c -1.17  -3.38    -2.0000
iter: 728 00:49:13   -21.441309c -1.16  -1.96    -2.0000
iter: 729 00:49:26   -21.443141c -1.04  -2.00    -2.0000
iter: 730 00:49:39   -21.444764c -2.06  -2.72    -2.0000
iter: 731 00:49:53   -21.444700c -1.52  -2.75    -2.0000
iter: 732 00:50:07   -21.444909c -1.89  -3.03    -2.0000
iter: 733 00:50:20   -21.431261  -0.75  -1.94    -2.0000
iter: 734 00:50:33   -21.447450  -1.58  -1.81    -2.0000
iter: 735 00:50:47   -21.450449  -1.50  -1.99    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 00:51:06   -21.465017  +0.20  -2.03    -2.0000
iter: 737 00:51:19   -21.468807  +0.21  -3.49    -2.0000
iter: 738 00:51:33   -21.451881  -0.81  -2.09    -2.0000
iter: 739 00:51:46   -21.448544  -0.92  -2.47    -2.0000
iter: 740 00:51:59   -21.432986  -0.34  -2.08    -2.0000
iter: 741 00:52:13   -21.445991  -0.43  -1.95    -2.0000
iter: 742 00:52:26   -21.450037  -1.40  -1.88    -2.0000
iter: 743 00:52:40   -21.438563  -0.23  -2.37    -2.0000
iter: 744 00:52:53   -21.451274  -2.14  -2.18    -2.0000
iter: 745 00:53:07   -21.451021  -1.99  -2.77    -2.0000
iter: 746 00:53:20   -21.459553  -0.88  -1.79    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 00:53:39   -21.434327  +0.01  -2.03    -2.0000
iter: 748 00:53:52   -21.511552  +0.19  -2.09    -2.0000
iter: 749 00:54:06   -21.448140  -1.04  -2.05    -2.0000
iter: 750 00:54:19   -21.448529  -0.77  -2.33    -2.0000
iter: 751 00:54:33   -21.436833  -0.77  -2.32    -2.0000
iter: 752 00:54:46   -21.441083  -1.14  -2.12    -2.0000
iter: 753 00:55:00   -21.447643  -1.25  -2.11    -2.0000
iter: 754 00:55:13   -21.448179  -1.61  -3.24    -2.0000
iter: 755 00:55:27   -21.448535c -2.13  -2.71    -2.0000
iter: 756 00:55:40   -21.448040c -1.79  -2.77    -2.0000
iter: 757 00:55:54   -21.449544c -2.04  -2.23    -2.0000
iter: 758 00:56:07   -21.448850c -1.77  -2.30    -2.0000
iter: 759 00:56:20   -21.447647c -1.42  -3.05    -2.0000
iter: 760 00:56:34   -21.454993  -1.34  -2.01    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 00:56:53   -21.479594  +0.01  -1.88    -2.0000
iter: 762 00:57:06   -21.488562  -0.01  -2.92    -2.0000
iter: 763 00:57:20   -21.503739  -0.13  -2.28    -2.0000
iter: 764 00:57:33   -21.458566  -0.53  -1.74    -2.0000
iter: 765 00:57:47   -21.443080  -0.57  -2.00    -2.0000
iter: 766 00:58:00   -21.444482  -0.66  -3.37    -2.0000
iter: 767 00:58:13   -21.454712  -1.70  -2.24    -2.0000
iter: 768 00:58:27   -21.451113  -0.83  -2.38    -2.0000
iter: 769 00:58:40   -21.464841  -0.23  -1.79    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 00:58:59   -21.444172  -0.85  -2.43    -2.0000
iter: 771 00:59:13   -21.441730  -0.85  -2.90    -2.0000
iter: 772 00:59:26   -21.443159c -1.00  -3.19    -2.0000
iter: 773 00:59:40   -21.456513  -0.42  -2.24    -2.0000
iter: 774 00:59:53   -21.485049  -0.26  -1.75    -2.0000
iter: 775 01:00:07   -21.439387  +0.07  -2.23    -2.0000
iter: 776 01:00:20   -21.450315  -1.59  -1.77    -2.0000
iter: 777 01:00:33   -21.449865  -1.86  -2.43    -2.0000
iter: 778 01:00:47   -21.439412  -0.21  -1.95    -2.0000
iter: 779 01:01:00   -21.450817  -1.31  -1.83    -2.0000
iter: 780 01:01:14   -21.450346  -1.22  -2.80    -2.0000
iter: 781 01:01:27   -21.450570c -1.37  -2.55    -2.0000
iter: 782 01:01:41   -21.452557c -1.41  -2.02    -2.0000
iter: 783 01:01:54   -21.444593  -0.34  -2.36    -2.0000
iter: 784 01:02:07   -21.460049  -1.41  -1.85    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 01:02:26   -21.535681  +0.12  -1.74    -2.0000
iter: 786 01:02:40   -21.493229  +0.19  -2.12    -2.0000
iter: 787 01:02:53   -21.508467  +0.19  -2.67    -2.0000
iter: 788 01:03:07   -21.472417  -0.10  -1.78    -2.0000
iter: 789 01:03:20   -21.431149  -0.34  -1.82    -2.0000
iter: 790 01:03:34   -21.439069  -0.94  -2.45    -2.0000
iter: 791 01:03:47   -21.445893  -1.59  -2.35    -2.0000
iter: 792 01:04:00   -21.445490  -1.40  -3.33    -2.0000
iter: 793 01:04:14   -21.447711c -1.59  -2.27    -2.0000
iter: 794 01:04:27   -21.446400c -2.04  -2.43    -2.0000
iter: 795 01:04:41   -21.444788c -1.54  -2.72    -2.0000
iter: 796 01:04:54   -21.450722c -1.37  -1.89    -2.0000
iter: 797 01:05:08   -21.447128c -0.81  -2.66    -2.0000
iter: 798 01:05:21   -21.456803  -1.56  -1.86    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 01:05:40   -21.433730  -0.16  -2.15    -2.0000
iter: 800 01:05:54   -21.492505  +0.06  -2.13    -2.0000
iter: 801 01:06:07   -21.444340  -1.11  -2.09    -2.0000
iter: 802 01:06:20   -21.442785  -1.14  -2.55    -2.0000
iter: 803 01:06:34   -21.437079  -0.96  -2.53    -2.0000
iter: 804 01:06:47   -21.441126c -1.03  -2.08    -2.0000
iter: 805 01:07:01   -21.444460  -1.34  -2.05    -2.0000
iter: 806 01:07:14   -21.444892c -2.09  -2.96    -2.0000
iter: 807 01:07:27   -21.445034c -1.96  -3.23    -2.0000
iter: 808 01:07:41   -21.444327c -1.41  -3.01    -2.0000
iter: 809 01:07:54   -21.455145  -1.11  -1.78    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 01:08:13   -21.432239  -0.01  -2.14    -2.0000
iter: 811 01:08:27   -21.510729  +0.14  -2.18    -2.0000
iter: 812 01:08:40   -21.446756  -1.42  -2.11    -2.0000
iter: 813 01:08:54   -21.446916  -0.39  -2.13    -2.0000
iter: 814 01:09:07   -21.437421  -0.49  -2.67    -2.0000
iter: 815 01:09:21   -21.448578  -0.45  -1.88    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 01:09:40   -21.467493  -0.45  -2.08    -2.0000
iter: 817 01:09:53   -21.465019  -0.36  -2.21    -2.0000
iter: 818 01:10:07   -21.431082  -0.18  -1.93    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 01:10:26   -21.524730  -0.01  -1.78    -2.0000
iter: 820 01:10:39   -21.505801  +0.11  -2.02    -2.0000
iter: 821 01:10:52   -21.444256  +0.20  -1.98    -2.0000
iter: 822 01:11:06   -21.520058  +0.31  -1.79    -2.0000
iter: 823 01:11:19   -21.438386  -0.88  -1.91    -2.0000
iter: 824 01:11:33   -21.435232  +0.03  -1.89    -2.0000
iter: 825 01:11:46   -21.448684  -1.40  -2.22    -2.0000
iter: 826 01:11:59   -21.451101  -1.36  -2.55    -2.0000
iter: 827 01:12:13   -21.451777c -2.17  -3.04    -2.0000
iter: 828 01:12:26   -21.451779c -2.25  -2.81    -2.0000
iter: 829 01:12:40   -21.451552c -1.89  -3.05    -2.0000
iter: 830 01:12:53   -21.451981c -1.68  -2.49    -2.0000
iter: 831 01:13:07   -21.452539c -1.65  -2.31    -2.0000
iter: 832 01:13:20   -21.448318c -0.74  -2.43    -2.0000
iter: 833 01:13:33   -21.460951  -1.37  -1.75    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 01:13:52   -21.560389  +0.37  -1.89    -2.0000
iter: 835 01:14:06   -21.436027  -0.11  -1.91    -2.0000
iter: 836 01:14:19   -21.483165  -0.09  -2.17    -2.0000
iter: 837 01:14:33   -21.447274  -1.09  -2.20    -2.0000
iter: 838 01:14:46   -21.437898  -0.75  -2.15    -2.0000
iter: 839 01:15:00   -21.442287  -1.07  -2.33    -2.0000
iter: 840 01:15:13   -21.447188  -1.64  -2.24    -2.0000
iter: 841 01:15:27   -21.447205c -2.11  -3.19    -2.0000
iter: 842 01:15:40   -21.447349c -1.94  -3.37    -2.0000
iter: 843 01:15:53   -21.419350  -0.16  -1.77    -2.0000
iter: 844 01:16:07   -21.444503  -0.70  -1.82    -2.0000
iter: 845 01:16:20   -21.457298  -0.79  -1.77    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 01:16:39   -21.447636  -0.16  -2.28    -2.0000
iter: 847 01:16:53   -21.474523  -0.00  -2.54    -2.0000
iter: 848 01:17:06   -21.450355  -1.25  -2.20    -2.0000
iter: 849 01:17:20   -21.450911  -1.04  -2.50    -2.0000
iter: 850 01:17:33   -21.414985  -0.02  -1.96    -2.0000
iter: 851 01:17:47   -21.464169  -0.88  -1.71    -2.0000
iter: 852 01:18:00   -21.452873  -1.37  -2.01    -2.0000
iter: 853 01:18:13   -21.452930  -2.14  -2.59    -2.0000
iter: 854 01:18:27   -21.451758c -1.77  -2.62    -2.0000
iter: 855 01:18:40   -21.454616c -1.71  -2.15    -2.0000
iter: 856 01:18:54   -21.450458c -0.80  -2.43    -2.0000
iter: 857 01:19:07   -21.464509  -1.26  -1.77    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 01:19:26   -21.453936  -0.02  -1.98    -2.0000
iter: 859 01:19:40   -21.467602  +0.04  -2.77    -2.0000
iter: 860 01:19:53   -21.465314  -0.46  -2.14    -2.0000
iter: 861 01:20:07   -21.470928c -0.36  -2.36    -2.0000
iter: 862 01:20:20   -21.436334  -0.82  -1.86    -2.0000
iter: 863 01:20:33   -21.439858  -1.59  -2.27    -2.0000
iter: 864 01:20:47   -21.442914  -1.05  -2.31    -2.0000
iter: 865 01:21:00   -21.444283c -1.98  -2.76    -2.0000
iter: 866 01:21:14   -21.444395c -1.84  -2.66    -2.0000
iter: 867 01:21:27   -21.444220c -2.04  -2.66    -2.0000
iter: 868 01:21:41   -21.444169c -1.88  -3.10    -2.0000
iter: 869 01:21:54   -21.446079c -0.92  -1.78    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 01:22:13   -21.450506  +0.07  -1.88    -2.0000
iter: 871 01:22:27   -21.488176  -0.17  -2.23    -2.0000
iter: 872 01:22:40   -21.499452  -0.12  -2.13    -2.0000
iter: 873 01:22:53   -21.447320  -0.56  -1.75    -2.0000
iter: 874 01:23:07   -21.439199  -0.62  -2.37    -2.0000
iter: 875 01:23:20   -21.442057  -1.23  -2.60    -2.0000
iter: 876 01:23:34   -21.450005  -1.32  -2.39    -2.0000
iter: 877 01:23:47   -21.450901  -1.93  -3.14    -2.0000
iter: 878 01:24:00   -21.451589c -1.74  -2.51    -2.0000
iter: 879 01:24:14   -21.451580c -1.74  -4.66c   -2.0000
iter: 880 01:24:27   -21.451253c -2.26  -2.60    -2.0000
iter: 881 01:24:41   -21.451410c -2.05  -2.69    -2.0000
iter: 882 01:24:54   -21.451406c -2.04  -4.83c   -2.0000
iter: 883 01:25:08   -21.455414c -1.21  -2.33    -2.0000
iter: 884 01:25:21   -21.444281  -0.28  -2.11    -2.0000
iter: 885 01:25:35   -21.460096  -0.76  -1.78    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 01:25:54   -21.449279  -0.04  -2.04    -2.0000
iter: 887 01:26:07   -21.467731  +0.05  -2.64    -2.0000
iter: 888 01:26:21   -21.449843  -0.89  -2.12    -2.0000
iter: 889 01:26:34   -21.445242  -1.41  -2.69    -2.0000
iter: 890 01:26:47   -21.444500c -1.32  -3.25    -2.0000
iter: 891 01:27:01   -21.453646  -0.53  -1.72    -2.0000
iter: 892 01:27:14   -21.447593  -1.43  -1.74    -2.0000
iter: 893 01:27:28   -21.447719  -2.08  -2.99    -2.0000
iter: 894 01:27:41   -21.449010c -1.13  -2.45    -2.0000
iter: 895 01:27:55   -21.448919c -1.09  -4.18c   -2.0000
iter: 896 01:28:08   -21.458789  -1.34  -1.78    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 01:28:27   -21.435269  -0.21  -2.21    -2.0000
iter: 898 01:28:40   -21.453403  -0.80  -2.36    -2.0000
iter: 899 01:28:54   -21.446008  -1.59  -2.36    -2.0000
iter: 900 01:29:07   -21.448329  +0.01  -1.99    -2.0000
iter: 901 01:29:21   -21.432894  -0.08  -2.86    -2.0000
iter: 902 01:29:34   -21.456700  -0.98  -1.75    -2.0000
iter: 903 01:29:48   -21.455973  -0.65  -2.32    -2.0000
iter: 904 01:30:01   -21.452626c -1.09  -2.27    -2.0000
iter: 905 01:30:15   -21.452671c -0.58  -1.70    -2.0000
iter: 906 01:30:28   -21.447522c -1.74  -1.98    -2.0000
iter: 907 01:30:42   -21.446367  -1.37  -2.54    -2.0000
iter: 908 01:30:55   -21.451753c -0.74  -2.02    -2.0000
iter: 909 01:31:08   -21.448881c -1.18  -1.89    -2.0000
iter: 910 01:31:22   -21.444393  -0.63  -2.59    -2.0000
iter: 911 01:31:35   -21.456523  -1.74  -1.78    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 01:31:54   -21.437714  -0.18  -2.17    -2.0000
iter: 913 01:32:08   -21.477132  -0.20  -2.27    -2.0000
iter: 914 01:32:21   -21.450325  -1.20  -2.21    -2.0000
iter: 915 01:32:34   -21.454774  -0.57  -2.34    -2.0000
iter: 916 01:32:48   -21.440476  -0.86  -2.23    -2.0000
iter: 917 01:33:01   -21.444301  -1.16  -2.33    -2.0000
iter: 918 01:33:15   -21.449877  -1.42  -2.19    -2.0000
iter: 919 01:33:28   -21.450247c -2.17  -2.99    -2.0000
iter: 920 01:33:42   -21.450426c -1.31  -2.44    -2.0000
iter: 921 01:33:55   -21.450839c -1.72  -2.95    -2.0000
iter: 922 01:34:08   -21.453514c -1.32  -1.94    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 01:34:28   -21.431070  -0.06  -2.15    -2.0000
iter: 924 01:34:41   -21.482528  -0.11  -2.19    -2.0000
iter: 925 01:34:55   -21.445175  -1.46  -2.26    -2.0000
iter: 926 01:35:08   -21.445859  -0.76  -2.41    -2.0000
iter: 927 01:35:21   -21.440474c -0.82  -2.79    -2.0000
iter: 928 01:35:35   -21.441155c -0.28  -1.76    -2.0000
iter: 929 01:35:48   -21.448357  -1.27  -1.79    -2.0000
iter: 930 01:36:02   -21.448869  -2.04  -2.57    -2.0000
iter: 931 01:36:15   -21.448835c -2.13  -3.54    -2.0000
iter: 932 01:36:28   -21.448751c -1.89  -3.43    -2.0000
iter: 933 01:36:42   -21.462899  -0.77  -1.75    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 01:37:01   -21.434589  -0.07  -2.14    -2.0000
iter: 935 01:37:14   -21.507587  +0.16  -2.18    -2.0000
iter: 936 01:37:28   -21.445223  -1.42  -2.10    -2.0000
iter: 937 01:37:41   -21.451025  -0.65  -2.40    -2.0000
iter: 938 01:37:55   -21.417797  -0.07  -2.09    -2.0000
iter: 939 01:38:08   -21.464468  -0.85  -1.74    -2.0000
iter: 940 01:38:22   -21.449322  -1.25  -1.94    -2.0000
iter: 941 01:38:35   -21.449860  -2.04  -2.61    -2.0000
iter: 942 01:38:48   -21.449601c -1.66  -2.93    -2.0000
iter: 943 01:39:02   -21.449837c -2.15  -2.73    -2.0000
iter: 944 01:39:15   -21.450452c -1.82  -2.77    -2.0000
iter: 945 01:39:29   -21.448518c -1.00  -2.49    -2.0000
iter: 946 01:39:42   -21.452651c -0.80  -2.01    -2.0000
iter: 947 01:39:56   -21.452917c -1.74  -1.81    -2.0000
iter: 948 01:40:09   -21.454568c -0.25  -1.76    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 01:40:28   -21.486652  +0.07  -1.79    -2.0000
iter: 950 01:40:42   -21.478223  +0.07  -2.88    -2.0000
iter: 951 01:40:55   -21.499651  -0.01  -2.30    -2.0000
iter: 952 01:41:08   -21.514929  +0.16  -1.82    -2.0000
iter: 953 01:41:22   -21.428985  -0.42  -1.78    -2.0000
iter: 954 01:41:35   -21.435699  -1.12  -2.46    -2.0000
iter: 955 01:41:49   -21.440561  -1.54  -2.37    -2.0000
iter: 956 01:42:02   -21.440121c -1.41  -2.98    -2.0000
iter: 957 01:42:15   -21.440466c -1.55  -2.49    -2.0000
iter: 958 01:42:29   -21.440223c -1.98  -2.52    -2.0000
iter: 959 01:42:42   -21.438221c -1.20  -2.67    -2.0000
iter: 960 01:42:56   -21.448131  -1.25  -1.81    -2.0000
iter: 961 01:43:09   -21.450239  -0.24  -1.72    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 01:43:28   -21.447839c -0.09  -2.02    -2.0000
iter: 963 01:43:42   -21.450629c -0.07  -3.40    -2.0000
iter: 964 01:43:55   -21.446898c -0.79  -2.30    -2.0000
iter: 965 01:44:09   -21.442732  -0.98  -2.47    -2.0000
iter: 966 01:44:22   -21.433937  -0.92  -2.29    -2.0000
iter: 967 01:44:35   -21.436776  -1.35  -2.29    -2.0000
iter: 968 01:44:49   -21.440516  -0.95  -2.19    -2.0000
iter: 969 01:45:03   -21.442432c -2.08  -2.70    -2.0000
iter: 970 01:45:16   -21.442563c -1.78  -2.82    -2.0000
iter: 971 01:45:29   -21.442551c -1.76  -4.53c   -2.0000
iter: 972 01:45:43   -21.442553c -1.91  -2.56    -2.0000
iter: 973 01:45:56   -21.439353c -1.22  -2.48    -2.0000
iter: 974 01:46:10   -21.446021  -1.55  -1.80    -2.0000
iter: 975 01:46:23   -21.446880  -1.86  -2.87    -2.0000
iter: 976 01:46:37   -21.437006  -1.28  -1.95    -2.0000
iter: 977 01:46:50   -21.453619  -1.29  -1.79    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 01:47:09   -21.569844  +0.38  -1.83    -2.0000
iter: 979 01:47:22   -21.436106  -0.02  -1.89    -2.0000
iter: 980 01:47:36   -21.451050  -1.06  -2.35    -2.0000
iter: 981 01:47:49   -21.448795  -1.18  -2.65    -2.0000
iter: 982 01:48:03   -21.439753  -0.59  -2.53    -2.0000
iter: 983 01:48:16   -21.472200  -0.62  -1.76    -2.0000
iter: 984 01:48:30   -21.452556  -1.17  -1.89    -2.0000
iter: 985 01:48:43   -21.453113  -2.11  -2.48    -2.0000
iter: 986 01:48:56   -21.452841c -1.48  -2.78    -2.0000
iter: 987 01:49:10   -21.453123c -2.08  -2.81    -2.0000
iter: 988 01:49:23   -21.452686c -1.99  -2.84    -2.0000
iter: 989 01:49:37   -21.453049c -1.81  -2.60    -2.0000
iter: 990 01:49:51   -21.438433  -0.75  -1.81    -2.0000
iter: 991 01:50:05   -21.452525  -1.43  -1.81    -2.0000
iter: 992 01:50:18   -21.456797  -1.39  -1.81    -2.0000
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 01:50:37   -21.429250  -0.10  -2.20    -2.0000
iter: 994 01:50:51   -21.453206  -0.65  -2.31    -2.0000
iter: 995 01:51:04   -21.442843  -1.48  -2.38    -2.0000
iter: 996 01:51:17   -21.446403  -0.67  -2.49    -2.0000
iter: 997 01:51:31   -21.435542  -0.69  -2.67    -2.0000
iter: 998 01:51:44   -21.446642  -1.82  -2.27    -2.0000
iter: 999 01:51:58   -21.446939  -1.93  -2.80    -2.0000
iter:1000 01:52:11   -21.446659c -2.03  -2.94    -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


