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

User:   aes38@compute-49
Date:   Sat Sep 30 00:49:15 2023
Arch:   x86_64
Pid:    3025436
CWD:    /users/home/aes38/Rydberg/new/ethylene/Csic/eighthext
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:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/numpy (version 1.22.4)
scipy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/scipy (version 1.8.1)
libxc:  5.1.6
units:  Angstrom and eV
cores: 64
OpenMP: False
OMP_NUM_THREADS: 1

Reading from ../ground.gpw
Read dipole, energy, free_energy, magmom, magmoms
Reading input parameters:
  basis: aug-cc-pVDZ_PBE.sz
  eigensolver: {blocksize: 1,
                converge_unocc: True,
                excited_state: False,
                functional: {'name': 'ks'},
                grad_tol_inner_loop: 0.0005,
                grad_tol_pz_localization: 0.0005,
                linesearch_algo: {'name': 'max-step', 'max_step': 0.2},
                localization_tol: None,
                localizationseed: None,
                localizationtype: None,
                max_step_inner_loop: 0.2,
                maxiter_inner_loop: 100,
                maxiter_pz_localization: 50,
                maxiter_unocc: 333,
                momevery: 10,
                name: etdm-fdpw,
                need_init_orbs: False,
                need_localization: False,
                printinnerloop: False,
                restart_canonical: True,
                restartevery_iloop_notconverged: 3,
                searchdir_algo: {'name': 'l-bfgs', 'memory': 3},
                use_prec: True}
  h: 0.15
  maxiter: 1000
  mixer: {backend: no-mixing}
  mode: {force_complex_dtype: True,
         interpolation: 3,
         name: fd,
         nn: 3}
  nbands: -10
  occupations: {name: fixed-uniform}
  spinpol: True
  symmetry: off
  xc: PBE

Initialize ...

species:
  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: Uniform real-space grid
  Kinetic energy operator: 6*3+1=19 point O(h^6) finite-difference Laplacian
  ScaLapack parameters: grid=1x1, blocksize=None
  Wavefunction extrapolation:
    Improved wavefunction reuse through dual PAW basis 

Occupation numbers: # Uniform distribution of occupation numbers 

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

Densities:
  Coarse grid: 132*144*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: 181.88 MiB
  Calculator: 42.39 MiB
    Density: 11.28 MiB
      Arrays: 11.20 MiB
      Localized functions: 0.08 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 8.33 MiB
      Arrays: 8.33 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 22.77 MiB
      Arrays psit_nG: 19.69 MiB
      Eigensolver: 3.08 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

Total number of cores used: 64
Domain decomposition: 4 x 4 x 4

Number of atoms: 6
Number of atomic orbitals: 80
Number of bands in calculation: 16
Number of valence electrons: 12
Bands to converge: all

... initialized

Input parameters:
  convergence: {eigenstates: 1e-06}
  eigensolver: {blocksize: 1,
                converge_unocc: False,
                excited_state: True,
                functional: {'name': 'PZ-SIC'},
                grad_tol_inner_loop: 0.0005,
                grad_tol_pz_localization: 0.0005,
                linesearch_algo: {'name': 'max-step', 'max_step': 0.2},
                localization_tol: None,
                localizationseed: None,
                localizationtype: PM,
                max_step_inner_loop: 0.2,
                maxiter_inner_loop: 100,
                maxiter_pz_localization: 50,
                maxiter_unocc: 333,
                momevery: 10,
                name: etdm-fdpw,
                need_init_orbs: False,
                need_localization: True,
                printinnerloop: False,
                restart_canonical: True,
                restartevery_iloop_notconverged: 3,
                searchdir_algo: {'name': 'l-bfgs', 'memory': 3},
                use_prec: True}

Input parameters:
  occupations: {name: mom,
                numbers: [[1. 1. 1. ... 0. 0. 0.]
 [1. 1. 1. ... 1. 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: L-BFGS algorithm
       Line search: step size equals one
       Preconditioning: True
       Orbital-density self-interaction corrections: PZ-SIC
       WARNING: do not use it for metals as occupation numbers are
                not found variationally
 

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

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 271.80 MiB
  Calculator: 42.39 MiB
    Density: 11.28 MiB
      Arrays: 11.20 MiB
      Localized functions: 0.08 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 8.33 MiB
      Arrays: 8.33 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 22.77 MiB
      Arrays psit_nG: 19.69 MiB
      Eigensolver: 3.08 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

Total number of cores used: 64
Domain decomposition: 4 x 4 x 4

Number of atoms: 6
Number of atomic orbitals: 80
Number of bands in calculation: 16
Number of valence electrons: 12
Bands to converge: occupied

... initialized

Initializing position-dependent things.

Density initialized from wave functions
              .------------------------------------------------.  
             /|                                                |  
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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         iter
                         energy  eigst   dens             inner loop
iter:   1 00:57:59   -19.846725  +0.26  -2.19    -2.0000         117
iter:   2 01:01:51   -20.322501  -0.48  -1.92    -2.0000         114
iter:   3 01:09:36   -20.355478  -0.92  -3.58    -2.0000         113
iter:   4 01:13:27   -20.250430  -0.08  -1.96    -2.0000         115
iter:   5 01:21:17   -20.414968  -0.91  -3.64    -2.0000         114
iter:   6 01:25:06   -20.434006  -0.30  -1.91    -2.0000         113
iter:   7 01:32:47   -20.438022  -1.01  -2.10    -2.0000         112
iter:   8 01:36:35   -20.452615  +0.51  -1.86    -2.0000         112
iter:   9 01:44:36   -20.523126  -0.47  -1.80    -2.0000         118
iter:  10 01:48:37   -20.506816  -0.89  -1.93    -2.0000         120
iter:  11 01:56:24   -20.515523  -1.29  -2.64    -2.0000         112
iter:  12 01:59:56   -20.548087  +2.15  -1.91    -2.0000         106
MOM has detected variational collapse, occupied orbitals have changed
iter:  13 02:03:50   -20.349106  -0.73  -14.86c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  14 02:04:55   -20.507778  -1.15  -15.53c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  15 02:05:33   -21.036658  -1.12  -15.33c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  16 02:06:54   -20.570738  -1.01  -15.28c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  17 02:08:39   -20.545008  -0.99  -15.16c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  18 02:09:39   -20.942534  -1.00  -15.52c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  19 02:10:18   -20.921727  -0.87  -15.26c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  20 02:10:54   -20.985497  -0.78  -15.27c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  21 02:12:34   -21.086500  -0.57  -15.39c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  22 02:15:21   -20.399343  -0.80  -15.25c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  23 02:16:05   -20.739997  -1.07  -15.28c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  24 02:16:45   -21.273146  -0.80  -15.02c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  25 02:19:35   -20.814109  -0.57  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  26 02:20:43   -20.264111  -0.62  -15.24c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  27 02:21:22   -20.668346  -0.70  -15.18c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  28 02:26:04   -20.399541  -1.03  -2.31    -2.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter:  29 02:27:28   -20.748600  -0.02  -14.88c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  30 02:30:44   -20.570605  -0.38  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  31 02:31:28   -20.468663  -0.43  -15.37c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  32 02:32:11   -20.388416  -0.14  -15.25c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  33 02:32:52   -20.554516  +0.27  -15.26c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  34 02:33:34   -20.766415  +0.59  -15.03c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  35 02:34:54   -20.496723  +0.89  -15.47c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  36 02:35:33   -20.257730  +1.30  -15.18c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  37 02:36:20   -20.128840  +1.63  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  38 02:37:17   -20.186838  +2.03  -15.55c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  39 02:39:19   -20.070267  +1.28  -2.10    -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter:  40 02:43:59   -20.476590  -0.28  -1.98    -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter:  41 02:44:57   -20.257197  +0.30  -14.63c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  42 02:45:42   -20.923769  +0.93  -15.50c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  43 02:47:44   -20.940655  +0.74  -15.38c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  44 02:50:53   -20.228858  +1.18  -15.25c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  45 02:51:53   -20.557004  +1.35  -15.11c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  46 02:52:30   -20.218239  +1.75  -15.44c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  47 02:53:23   -19.647198  +2.32  -15.03c   -2.0000           5
MOM has detected variational collapse, occupied orbitals have changed
iter:  48 02:53:58   -17.235406  +2.89  -15.45c   -2.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter:  49 02:54:30   -10.408744  +3.40  -15.43c   -2.0000           5
MOM has detected variational collapse, occupied orbitals have changed
iter:  50 02:55:03    20.568630  +4.00  -15.53c   -2.0000           5
MOM has detected variational collapse, occupied orbitals have changed
iter:  51 02:55:35   112.058505  +4.49  -15.40c   -2.0000           5
MOM has detected variational collapse, occupied orbitals have changed
iter:  52 02:56:10   140.783231  +4.55  -15.42c   -2.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter:  53 02:56:42   282.883867  +4.78  -15.29c   -2.0000           5
MOM has detected variational collapse, occupied orbitals have changed
iter:  54 02:57:22   378.944581  +4.84  -15.46c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  55 02:57:54   529.116600  +4.90  -15.11c   -2.0000           5
MOM has detected variational collapse, occupied orbitals have changed
iter:  56 02:58:29   631.054033  +4.89  -15.14c   -2.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter:  57 02:59:05   903.044393  +4.91  -15.54c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter:  58 02:59:39   -12.965340  +2.93  -15.37c   -2.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter:  59 03:00:20    34.173397  +3.77  -15.08c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  60 03:00:59    -0.247210  +3.36  -15.17c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  61 03:01:40    31.120388  +3.75  -15.22c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  62 03:02:47    89.773403  +4.05  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  63 03:03:38    -4.256224  +3.26  -15.04c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  64 03:04:24  1954.864017  +4.99  -15.43c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  65 03:05:03    25.616380  +3.62  -15.01c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  66 03:07:37    36.607203  +3.70  -15.36c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  67 03:08:44    59.493285  +3.84  -15.52c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  68 03:10:13    53.949409  +3.81  -15.17c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  69 03:10:59   105.916575  +4.03  -15.32c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  70 03:11:37    21.391552  +3.56  -15.41c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  71 03:12:19   172.384114  +4.18  -15.20c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  72 03:13:15    79.183824  +3.90  -14.65c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  73 03:15:16   116.860404  +4.03  -15.23c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  74 03:16:02   751.418153  +4.71  -15.42c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  75 03:17:06   809.150505  +4.72  -14.91c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  76 03:17:52   156.521986  +4.12  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  77 03:19:00    15.446871  +3.45  -14.50c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  78 03:20:10   100.465700  +3.96  -15.40c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  79 03:21:23   272.667990  +4.31  -14.61c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  80 03:22:09   377.973804  +4.41  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  81 03:22:55   703.807165  +4.64  -15.31c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  82 03:23:44   283.531847  +4.32  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  83 03:24:25   305.751754  +4.34  -15.29c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  84 03:25:27   217.174702  +4.22  -14.71c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  85 03:28:45   231.469781  +4.25  -14.66c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter:  86 03:29:33    18.351654  +3.47  -14.94c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  87 03:30:20    -5.659397  +3.07  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  88 03:31:10     7.732848  +3.34  -15.38c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  89 03:31:55    16.681047  +3.47  -15.10c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  90 03:32:46   140.953885  +4.12  -15.38c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  91 03:33:42     4.931112  +3.34  -15.10c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  92 03:34:35     4.868943  +3.32  -15.40c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  93 03:35:36    14.268708  +3.46  -15.17c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter:  94 03:36:29     7.582205  +3.38  -15.20c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  95 03:37:22   137.478002  +4.19  -15.46c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  96 03:38:12    37.722993  +3.74  -15.41c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  97 03:39:10     2.375094  +3.27  -15.31c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter:  98 03:40:03     9.369644  +3.40  -15.27c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  99 03:41:02    49.840532  +3.87  -15.25c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 100 03:41:56    40.287691  +3.79  -15.22c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 101 03:42:51    27.177202  +3.67  -15.14c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 102 03:43:56    19.620038  +3.57  -14.96c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 103 03:45:46   117.416761  +4.18  -14.66c   -2.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 104 03:46:56   106.883182  +4.12  -15.50c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 105 03:48:18   190.329898  +4.37  -15.33c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 106 03:49:38   261.088532  +4.47  -15.32c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 107 03:51:10   101.463788  +4.12  -15.45c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 108 03:53:16    82.418189  +4.03  -14.91c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 109 03:54:49    54.731136  +3.84  -14.74c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 110 03:55:53    61.371596  +3.90  -15.12c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 111 03:57:22    71.126068  +3.95  -14.74c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 03:58:46    61.680201  +3.91  -14.77c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 113 03:59:40   132.130729  +4.23  -15.13c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 114 04:01:13    93.311635  +4.09  -15.42c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 04:03:10  1859.923989  +5.15  -14.68c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 04:04:07   420.303226  +4.66  -15.31c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 117 04:06:01   784.747660  +4.94  -14.72c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 118 04:08:05    92.749503  +4.11  -14.49c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 04:09:45    38.487929  +3.83  -14.82c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 04:10:44    94.199032  +4.13  -15.19c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 121 04:11:42    17.869461  +3.57  -15.24c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 122 04:12:38  1290.804685  +5.07  -15.54c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 04:13:53    13.039357  +3.42  -14.81c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 124 04:15:09     0.178169  +2.99  -14.71c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 04:17:35   582.297977  +4.80  -14.39c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 04:18:36    56.932149  +3.92  -14.96c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 04:19:26    41.130722  +3.79  -15.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 128 04:20:42   712.101247  +4.93  -14.66c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 129 04:21:41   616.608986  +4.89  -15.17c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 130 04:25:04    78.926872  +4.03  -14.90c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 131 04:27:03    16.841050  +3.58  -14.84c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 132 04:28:26   101.086802  +4.13  -15.40c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 133 04:30:19    28.243668  +3.69  -14.48c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 134 04:35:27   -15.112489  +2.15  -2.05    -2.0000          52
MOM has detected variational collapse, occupied orbitals have changed
iter: 135 04:37:04    23.192354  +3.71  -15.03c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 136 04:38:09    70.701162  +4.07  -14.83c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 137 04:39:21  1335.935299  +5.16  -14.84c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 138 04:40:59   108.371195  +4.19  -14.62c   -2.0000          38
MOM has detected variational collapse, occupied orbitals have changed
iter: 139 04:41:57    23.180864  +3.69  -15.14c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 140 04:45:29    75.702348  +4.10  -15.13c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 141 04:46:23     3.927837  +3.39  -15.35c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 142 04:47:39    42.607402  +3.90  -14.53c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 143 04:48:49    60.209504  +4.00  -14.78c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 144 04:49:40    70.037410  +4.03  -15.21c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 145 04:50:56    87.441536  +4.15  -15.45c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 146 04:52:33  1381.002708  +5.18  -14.59c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 147 04:53:51   137.279641  +4.27  -14.91c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 148 04:55:05   238.862892  +4.48  -14.74c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 149 04:56:06   -12.554044  +2.55  -15.35c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 150 04:57:32    34.032734  +3.80  -14.99c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 151 04:58:48     1.755370  +3.36  -14.78c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 152 05:00:02    28.554306  +3.78  -15.52c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 153 05:01:17    -3.307540  +3.31  -14.67c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 154 05:02:51    19.365471  +3.71  -14.76c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 155 05:03:54    27.222107  +3.76  -14.58c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 156 05:04:40    99.672714  +4.21  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 157 05:05:34    39.796941  +3.89  -15.33c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 158 05:06:41    60.592518  +4.02  -15.16c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 159 05:07:49    64.967763  +4.03  -15.06c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 160 05:08:52    30.334195  +3.80  -15.32c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 161 05:10:23    38.673379  +3.89  -14.69c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 162 05:12:01   128.941724  +4.27  -14.83c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 163 05:13:27    41.554692  +3.89  -14.89c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 164 05:15:07    42.617852  +3.89  -14.73c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 165 05:16:00     3.629961  +3.47  -14.59c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 166 05:17:15    58.355031  +3.98  -14.82c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 167 05:18:29    46.374836  +3.89  -14.73c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 05:19:47    83.751399  +4.07  -14.48c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 169 05:20:52    47.152484  +3.87  -15.41c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 170 05:22:15    74.401263  +4.03  -14.70c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 171 05:23:31    58.929515  +3.92  -14.65c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 172 05:25:03    66.502177  +3.93  -15.29c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 173 05:26:27   120.836762  +4.13  -15.34c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 174 05:27:20   141.593207  +4.19  -15.30c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 175 05:28:42    60.886058  +3.85  -15.24c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 176 05:30:13    23.994765  +3.55  -14.73c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 177 05:32:05     6.480765  +3.35  -14.52c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 178 05:33:16   107.256632  +4.07  -14.61c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 179 05:34:37   216.958431  +4.33  -14.74c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 180 05:35:43    56.862009  +3.83  -14.77c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 181 05:36:52   141.010824  +4.15  -14.84c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 182 05:38:16    43.352894  +3.74  -14.58c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 183 05:39:11    40.882550  +3.71  -15.35c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 184 05:40:42   124.348082  +4.10  -14.62c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 185 05:42:06   254.252833  +4.36  -15.33c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 186 05:43:04    33.492133  +3.63  -15.58c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 187 05:47:36    93.681878  +3.94  -14.71c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 188 05:48:58   238.063946  +4.30  -14.79c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 189 05:50:32   295.299814  +4.36  -14.81c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 190 05:51:32     7.620582  +3.29  -14.79c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 191 05:52:17     8.203734  +3.33  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 192 05:53:06   227.130536  +4.28  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 193 05:53:52    32.579214  +3.62  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 194 05:54:36   288.758340  +4.39  -15.36c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 195 05:55:46     1.371918  +3.24  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 196 05:56:49    13.239831  +3.45  -15.36c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 197 05:57:43   112.730602  +4.05  -15.19c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 198 05:58:31    45.830693  +3.73  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 199 05:59:45   165.604477  +4.17  -15.38c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 200 06:00:31    62.435181  +3.82  -15.09c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 201 06:02:04    29.290665  +3.60  -15.36c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 202 06:03:40   123.619892  +4.08  -15.01c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 203 06:04:28   903.538049  +4.80  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 204 06:10:25   -13.295539  +2.66  -2.32    -2.0000          82
MOM has detected variational collapse, occupied orbitals have changed
iter: 205 06:11:33   385.328363  +4.51  -14.72c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 206 06:12:46    27.109890  +3.60  -15.23c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 207 06:13:55   187.383124  +4.25  -14.95c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 208 06:14:45   232.145523  +4.33  -15.39c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 209 06:15:54    41.069927  +3.72  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 210 06:16:41    72.931369  +3.93  -15.14c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 211 06:17:31   307.525147  +4.47  -15.22c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 212 06:19:00    11.609611  +3.48  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 213 06:19:53    64.291754  +3.92  -15.49c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 214 06:20:40     1.899789  +3.36  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 215 06:21:31     8.516463  +3.48  -15.17c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 216 06:22:20    30.243218  +3.74  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 217 06:23:06    37.468728  +3.80  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 218 06:23:52     4.848813  +3.37  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 219 06:24:47     5.064060  +3.37  -15.32c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 220 06:25:47     2.846875  +3.31  -15.56c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 221 06:26:39     6.130025  +3.34  -15.40c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 222 06:27:31    20.198099  +3.61  -15.35c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 223 06:28:24    15.352752  +3.50  -15.11c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 224 06:29:25    69.498373  +4.02  -15.04c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 225 06:30:39   202.807366  +4.47  -14.73c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 226 06:31:29     7.151312  +3.31  -15.21c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 227 06:32:41   879.410315  +5.15  -15.43c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 228 06:34:40   572.460778  +5.04  -15.18c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 229 06:36:44   132.577982  +4.47  -15.17c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 230 06:38:21    70.629323  +4.25  -14.75c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 231 06:39:28    38.548010  +4.05  -14.91c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 232 06:41:36    25.351175  +3.96  -14.80c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 233 06:42:29    69.118323  +4.29  -15.18c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 234 06:43:39    52.014113  +4.18  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 235 06:44:26   101.826108  +4.40  -14.80c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 236 06:45:39   186.603084  +4.61  -14.80c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 237 06:46:26   205.927392  +4.62  -14.94c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 238 06:47:14   374.381503  +4.81  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 239 06:47:58   400.131802  +4.79  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 240 06:48:47    84.905182  +4.18  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 241 06:49:55   133.284875  +4.39  -15.49c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 242 06:50:43    31.337964  +3.92  -15.33c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 243 06:51:29   565.176527  +4.91  -15.43c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 244 06:52:18   128.918725  +4.32  -15.51c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 245 06:53:06    38.784411  +3.95  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 246 06:54:16    86.926726  +4.22  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 247 06:55:32    75.666261  +4.17  -15.31c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 248 06:56:18   158.665765  +4.42  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 249 06:57:46    -0.726891  +3.48  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 250 06:58:54   272.136516  +4.67  -15.44c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 251 06:59:45   318.920324  +4.80  -15.47c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 07:00:54    39.194988  +4.06  -14.85c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 253 07:04:09    93.279525  +4.34  -15.48c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 254 07:04:57    31.622005  +4.00  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 07:05:41    83.188244  +4.30  -15.54c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 256 07:06:52   135.231872  +4.46  -15.27c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 257 07:07:44   287.979162  +4.71  -15.38c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 258 07:09:05    64.328727  +4.16  -15.32c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 07:10:12    67.255771  +4.19  -15.03c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 260 07:11:48   406.598391  +4.88  -14.75c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 261 07:12:48    92.583777  +4.31  -14.67c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 07:13:38   172.889133  +4.58  -15.03c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 263 07:14:26   105.916455  +4.38  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 264 07:15:37   303.997063  +4.75  -14.82c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 265 07:16:52    49.359384  +4.08  -15.26c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 266 07:17:59   202.513466  +4.57  -14.85c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 267 07:19:00    54.808724  +4.15  -14.74c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 268 07:20:35     7.641296  +3.74  -15.35c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 269 07:21:23   -11.232474  +3.17  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 270 07:22:36   237.530008  +4.75  -14.60c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 271 07:24:08    35.544584  +4.09  -14.79c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 272 07:25:16     4.474063  +3.75  -15.56c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 273 07:26:01    37.329268  +4.10  -15.16c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 274 07:27:14    -3.398257  +3.58  -15.37c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 275 07:28:27   -11.110229  +3.33  -15.39c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 276 07:29:36    11.078767  +3.84  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 277 07:30:26   -15.499773  +3.03  -14.92c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 278 07:31:10   -12.988003  +3.18  -15.51c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 279 07:31:58    -0.809587  +3.65  -15.11c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 280 07:32:42    45.274693  +4.16  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 281 07:33:28     9.216338  +3.82  -14.83c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 282 07:34:13   295.324059  +4.81  -15.17c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 283 07:35:01    36.944954  +4.06  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 07:35:44   251.287648  +4.71  -15.17c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 07:36:27    -8.754457  +3.35  -15.45c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 07:37:11   275.605167  +4.72  -15.48c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 287 07:37:57   189.143558  +4.55  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 07:38:46   239.255966  +4.60  -15.02c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 289 07:39:33   655.585649  +4.93  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 290 07:40:41   351.010534  +4.68  -14.89c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 291 07:41:28   244.264120  +4.57  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 292 07:42:48   288.579577  +4.64  -15.33c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 293 07:47:01   135.108521  +4.32  -14.85c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 294 07:48:02    26.669105  +3.78  -15.13c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 07:50:38    67.200372  +4.08  -14.78c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 07:51:25   269.795175  +4.57  -15.45c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 297 07:52:34    23.207918  +3.75  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 07:53:20   173.088727  +4.38  -15.53c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 07:54:50   790.431663  +4.91  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 07:55:34  1035.202908  +4.92  -15.41c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 07:56:19   857.764949  +4.80  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 07:57:01  1173.891165  +4.83  -15.39c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 303 07:57:44   722.701933  +4.67  -15.62c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 07:58:23   205.668142  +4.22  -14.97c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 07:59:16    79.133684  +3.87  -14.77c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 08:00:42  1527.848467  +4.82  -15.19c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 307 08:01:24   631.135667  +4.60  -15.24c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 308 08:02:27   376.737161  +4.42  -14.89c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 309 08:03:09   184.607453  +4.16  -15.18c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 310 08:03:59   112.894943  +3.98  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 311 08:04:41   126.492157  +4.02  -15.29c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 08:05:22    90.507360  +3.90  -15.28c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 313 08:08:39    64.059082  +3.78  -15.53c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 314 08:09:41   163.336496  +4.11  -14.85c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 315 08:13:40    65.418731  +3.73  -15.55c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 316 08:14:50    55.645464  +3.74  -14.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 08:15:41    52.566410  +3.75  -15.41c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 318 08:16:28     4.470063  +3.31  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 319 08:17:15     5.713216  +3.33  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 320 08:18:00    70.945490  +3.87  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 321 08:18:46    17.746440  +3.50  -15.33c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 322 08:19:41     7.182308  +3.36  -15.09c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 323 08:20:34     2.588437  +3.26  -15.39c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 324 08:21:27    -1.772581  +3.15  -15.22c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 325 08:22:21  1008.052262  +4.94  -15.23c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 326 08:23:04    40.647668  +3.76  -15.05c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 327 08:23:59     0.470347  +3.20  -15.14c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 328 08:24:50     8.317342  +3.39  -15.19c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 329 08:25:41    37.319783  +3.72  -15.48c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 330 08:26:31   164.649700  +4.21  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 331 08:27:39    32.763216  +3.68  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 08:28:26    28.885657  +3.66  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 333 08:29:10    -5.096170  +3.10  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 334 08:29:58    12.347424  +3.47  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 335 08:30:48    21.612353  +3.57  -15.36c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 08:31:38     6.972057  +3.38  -15.09c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 337 08:32:31    14.448004  +3.48  -15.32c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 338 08:33:19    41.342819  +3.74  -15.13c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 08:34:09    -0.853789  +3.21  -15.27c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 340 08:34:57    13.273517  +3.46  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 341 08:35:48    28.503351  +3.63  -15.43c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 342 08:36:38    71.957794  +3.94  -15.16c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 343 08:37:31     7.924264  +3.35  -15.23c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 344 08:38:27    14.131329  +3.46  -15.27c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 345 08:39:19     2.988662  +3.20  -15.31c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 346 08:40:11    23.527187  +3.58  -15.17c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 347 08:41:03    24.491940  +3.62  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 08:41:53    27.962273  +3.65  -15.45c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 349 08:42:43    44.466262  +3.81  -15.47c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 08:43:29    16.109819  +3.47  -15.14c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 08:44:17    18.611899  +3.49  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 08:45:21    83.902311  +4.05  -15.18c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 353 08:46:21    62.079438  +3.91  -14.86c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 08:47:18  1370.554698  +5.15  -14.96c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 355 08:48:58    31.866329  +3.63  -14.53c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 356 08:50:03    82.120037  +4.01  -14.72c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 357 08:51:02   118.570731  +4.21  -15.13c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 08:52:37     3.264139  +2.97  -15.34c   -2.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 08:53:38    50.686624  +3.86  -15.23c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 08:55:04    46.069450  +3.84  -14.79c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 361 08:56:56    87.062761  +4.08  -14.76c   -2.0000          40
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 08:58:59    11.911735  +3.33  -15.21c   -2.0000          37
MOM has detected variational collapse, occupied orbitals have changed
iter: 363 09:00:48    72.201030  +3.99  -14.70c   -2.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter: 364 09:02:42    37.651461  +3.74  -14.87c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 365 09:05:16   309.016879  +4.58  -15.33c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 366 09:06:16   553.320302  +4.81  -15.32c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 367 09:07:25   158.541934  +4.30  -15.17c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 368 09:09:28    55.582943  +3.88  -15.31c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 369 09:11:33   839.440579  +5.02  -14.61c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 370 09:12:38   209.726881  +4.48  -14.99c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 371 09:14:05   100.565941  +4.17  -14.80c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 372 09:16:01   894.348791  +5.11  -14.73c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 09:17:42   929.303165  +5.15  -14.92c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 374 09:18:44   377.729630  +4.75  -15.24c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 375 09:20:12   101.245408  +4.22  -14.74c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 09:21:39   207.995638  +4.57  -14.76c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 377 09:22:35    41.890729  +3.91  -15.39c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 09:23:32   526.538639  +4.91  -15.18c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 09:24:49   975.763653  +5.16  -15.27c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 380 09:25:48   705.972452  +4.98  -15.18c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 09:27:38   683.901547  +5.01  -14.41c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 382 09:28:35   733.838043  +5.03  -15.43c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 383 09:29:39   310.426686  +4.68  -15.36c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 384 09:31:43    41.261491  +3.83  -14.72c   -2.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 09:32:56    -7.491962  +2.77  -15.19c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 386 09:36:21    33.741026  +3.80  -15.34c   -2.0000          37
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 09:37:50    48.949752  +3.96  -15.40c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 388 09:39:25    -0.601425  +3.20  -15.39c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 389 09:40:58    45.410877  +3.94  -15.53c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 09:42:26     0.475220  +3.31  -15.46c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 391 09:43:55   101.929182  +4.24  -15.16c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 392 09:45:20    84.160741  +4.19  -15.24c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 393 09:47:52   401.849303  +4.79  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 394 09:48:45    84.204718  +4.18  -15.41c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 09:49:47    22.326249  +3.78  -15.10c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 396 09:50:54    24.280068  +3.76  -15.32c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 397 09:52:12   162.771778  +4.40  -15.45c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 398 09:53:27   148.460567  +4.34  -14.94c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 09:54:41   226.674969  +4.51  -14.88c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 400 09:55:34   403.617491  +4.70  -15.12c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 401 09:56:42     1.552876  +3.37  -14.83c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 09:57:30    29.626902  +3.76  -15.11c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 09:58:18   256.852601  +4.49  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 09:59:37    65.922250  +3.96  -15.27c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 10:01:13   126.126947  +4.19  -14.79c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 10:02:03    40.558231  +3.77  -15.41c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 10:03:40   198.282482  +4.33  -15.09c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 10:05:30    29.095903  +3.70  -14.61c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 409 10:06:57    26.279634  +3.57  -14.59c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 410 10:07:47    58.215131  +3.91  -15.25c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 411 10:09:06    47.986130  +3.84  -14.66c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 412 10:10:11    31.216896  +3.70  -14.56c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 413 10:11:01    45.256970  +3.82  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 10:11:51    56.282922  +3.91  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 415 10:13:01    33.152532  +3.72  -15.21c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 416 10:14:15    87.706227  +4.05  -14.64c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 10:15:17   210.704593  +4.36  -15.02c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 418 10:16:02   170.819775  +4.26  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 419 10:16:51   529.428369  +4.67  -14.98c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 10:17:45    47.834395  +3.79  -15.48c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 10:18:50   294.147679  +4.43  -15.02c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 10:21:25    64.294120  +3.80  -15.00c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 423 10:22:47    77.489815  +3.90  -15.41c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 10:24:04    18.927781  +3.51  -14.79c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 425 10:25:04    52.104165  +3.80  -14.77c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 10:25:54   142.918799  +4.15  -15.16c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 10:27:33    16.730205  +3.47  -15.52c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 428 10:28:42    -7.859819  +2.88  -14.95c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 10:29:34   143.780296  +4.14  -15.21c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 10:30:58    39.669445  +3.72  -14.51c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 10:31:43   581.580731  +4.71  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 432 10:32:29   214.638926  +4.34  -15.13c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 10:33:11    45.099129  +3.77  -15.22c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 434 10:33:54   145.360103  +4.19  -15.36c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 10:35:05    68.324258  +3.91  -15.11c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 10:36:01    -3.676456  +3.04  -14.75c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 10:36:49    78.407280  +3.96  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 438 10:37:49    89.247346  +4.01  -14.43c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 439 10:38:58   105.829655  +4.07  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 10:39:47    94.688540  +4.01  -14.94c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 441 10:40:36    -7.408713  +2.99  -15.13c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 442 10:41:26     9.911717  +3.41  -15.37c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 443 10:42:13    -0.997315  +3.17  -15.52c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 10:43:01    -4.600897  +2.99  -15.48c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 10:44:13   418.236522  +4.61  -15.04c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 446 10:45:38    27.156797  +3.61  -14.75c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 447 10:46:38    36.609615  +3.73  -14.81c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 448 10:47:59   143.270771  +4.20  -15.30c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 449 10:49:50    77.438080  +3.98  -14.80c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 10:50:52   370.171639  +4.56  -15.31c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 10:52:32   379.247438  +4.57  -15.01c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 10:53:33    72.333514  +3.91  -14.85c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 453 10:55:11    81.377438  +3.96  -14.79c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 10:56:11    34.337033  +3.65  -15.26c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 455 10:57:02   144.983769  +4.19  -15.35c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 456 10:58:25   139.200546  +4.15  -15.42c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 457 10:59:34   320.036377  +4.45  -15.14c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 458 11:01:20   768.719946  +4.77  -14.74c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 459 11:02:16  1709.380936  +5.03  -15.26c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 460 11:03:14   336.411773  +4.49  -15.16c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 11:04:35   864.362612  +4.79  -14.72c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 11:05:54   610.562024  +4.68  -15.38c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 463 11:06:51  1220.643571  +4.93  -15.32c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 464 11:07:48   464.632353  +4.59  -15.30c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 11:09:50   844.830189  +4.79  -14.68c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 466 11:10:45   124.088996  +4.09  -15.34c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 11:12:02   178.583086  +4.23  -15.27c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 11:12:56   146.449546  +4.16  -15.31c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 11:13:58   199.731662  +4.25  -15.37c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 470 11:15:28   190.173003  +4.20  -14.29c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 471 11:17:07   221.867674  +4.25  -15.29c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 11:19:22     9.515301  +3.11  -14.76c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 11:21:19   108.038781  +3.98  -14.40c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 11:22:18    65.544656  +3.77  -15.29c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 11:23:42    32.610451  +3.56  -14.64c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 11:25:09    71.615150  +3.83  -14.84c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 477 11:26:22   153.048671  +4.12  -14.81c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 11:27:21   382.588222  +4.48  -15.20c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 11:28:46   643.275206  +4.71  -14.88c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 11:29:46    97.992562  +4.01  -14.68c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 481 11:30:52    68.661601  +3.91  -14.93c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 482 11:31:56    21.505388  +3.54  -15.31c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 483 11:32:44   194.508147  +4.33  -15.49c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 484 11:34:09    38.299532  +3.71  -15.22c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 11:35:22    83.690822  +4.00  -15.42c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 486 11:36:36  1205.071943  +4.95  -14.72c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 487 11:38:22   205.806827  +4.29  -14.74c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 488 11:40:00   201.029935  +4.30  -14.78c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 489 11:41:23    -0.126697  +3.10  -15.56c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 11:42:54    30.564195  +3.62  -15.01c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 491 11:44:18   183.079382  +4.24  -14.92c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 11:45:36   805.451034  +4.81  -14.83c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 493 11:46:57   398.323812  +4.57  -14.61c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 494 11:48:42   544.832461  +4.71  -15.32c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 495 11:49:33    11.347640  +3.39  -15.14c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 496 11:50:42   697.665353  +4.86  -14.77c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 11:52:10   406.003090  +4.65  -14.76c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 11:53:26     8.028406  +3.37  -15.14c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 11:54:40    28.756963  +3.73  -14.92c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 500 11:55:49   128.406843  +4.21  -15.38c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 11:56:47    49.755916  +3.88  -15.42c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 11:57:49   593.382011  +4.80  -14.89c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 11:59:47    31.525821  +3.74  -15.31c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 504 12:00:41    15.700353  +3.57  -15.37c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 505 12:01:31     2.874430  +3.34  -15.46c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 506 12:02:16    65.278390  +3.94  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 507 12:03:06    10.369881  +3.47  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 12:04:17    -5.563259  +3.14  -15.36c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 509 12:05:04    18.598185  +3.59  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 510 12:06:57    68.702689  +3.98  -15.22c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 511 12:07:50    27.999005  +3.70  -15.43c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 512 12:08:37     6.897331  +3.43  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 513 12:09:25    -3.848759  +3.19  -15.07c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 12:10:35    -6.948534  +3.07  -15.08c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 515 12:11:23    24.162353  +3.66  -15.41c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 12:12:51   -12.699469  +2.91  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 517 12:13:59   -10.463630  +2.98  -15.07c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 12:14:48     3.019688  +3.40  -14.91c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 12:16:44    83.303612  +4.01  -15.31c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 520 12:18:36    41.897291  +3.80  -15.11c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 521 12:22:36    77.776369  +3.99  -15.25c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 522 12:24:48   513.734908  +4.71  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 523 12:26:01    41.704155  +3.80  -15.20c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 524 12:26:51   532.100732  +4.72  -15.44c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 525 12:28:44   215.056844  +4.41  -14.67c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 526 12:29:29    19.658194  +3.63  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 12:30:14   132.231827  +4.24  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 12:32:29    -0.480647  +3.30  -15.24c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 12:33:42   804.041823  +4.89  -15.18c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 12:34:28   132.665914  +4.20  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 12:36:33    30.947089  +3.60  -15.10c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 12:41:31   -10.380489  +2.89  -1.86    -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 12:42:35   310.476635  +4.53  -14.95c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 534 12:45:49    88.642632  +4.05  -15.25c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 535 12:46:42   106.205564  +4.12  -15.02c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 536 12:47:22   844.236855  +4.86  -15.03c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 537 12:48:18    92.042025  +4.03  -14.87c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 538 12:49:03   135.400861  +4.18  -15.07c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 12:50:06   202.368947  +4.34  -14.88c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 540 12:51:14   399.579451  +4.60  -15.00c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 541 12:52:01   266.411613  +4.43  -15.15c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 542 12:53:08   754.694401  +4.79  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 543 12:53:57   396.892752  +4.60  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 544 12:54:46   288.453832  +4.51  -15.56c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 545 12:57:09   157.361337  +4.27  -15.08c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 546 12:58:40   389.589426  +4.62  -14.65c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 547 12:59:29   740.452945  +4.81  -14.92c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 548 13:00:37   732.044565  +4.77  -14.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 549 13:02:04  1212.153689  +4.89  -15.42c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 13:03:20    69.366780  +3.87  -14.67c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 551 13:04:50   331.534423  +4.44  -14.63c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 552 13:06:04    30.330800  +3.62  -14.45c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 553 13:07:12    27.995333  +3.59  -14.58c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 13:08:18   230.119559  +4.29  -14.81c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 555 13:09:07   153.398093  +4.16  -15.18c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 13:11:33    -1.015321  +3.20  -14.88c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 13:12:19    -8.547010  +3.00  -14.95c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 13:13:07    -4.905524  +3.04  -15.21c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 559 13:13:55   191.538968  +4.25  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 560 13:14:38    36.794348  +3.70  -15.14c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 13:15:24     0.840084  +3.15  -15.01c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 562 13:16:12     3.040409  +3.27  -15.33c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 13:17:13    -2.673206  +3.14  -14.76c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 13:18:47    80.453990  +3.95  -14.99c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 565 13:19:54    62.831543  +3.87  -14.70c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 566 13:20:54    41.500451  +3.74  -14.74c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 13:22:06    60.923490  +3.84  -15.35c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 568 13:23:09    58.938651  +3.79  -15.11c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 13:24:20    16.153585  +3.40  -14.91c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 570 13:25:38   139.704307  +4.14  -14.64c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 13:26:38   108.336477  +4.05  -14.99c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 13:27:52    54.451288  +3.83  -14.92c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 13:29:32    25.501224  +3.63  -15.39c   -2.0000          49
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 13:30:34    97.149085  +4.03  -14.51c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 575 13:31:20   291.707982  +4.42  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 576 13:32:12    58.374269  +3.83  -15.23c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 577 13:33:18  1353.069129  +5.00  -14.75c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 13:34:02   265.144745  +4.41  -15.05c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 579 13:35:24   191.800528  +4.28  -14.71c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 580 13:36:23    83.709188  +3.99  -15.55c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 581 13:37:34    16.064838  +3.50  -14.45c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 582 13:38:48   153.118786  +4.18  -14.61c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 13:40:01   161.435818  +4.22  -14.67c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 584 13:41:25    60.566456  +3.88  -15.66c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 13:42:30     0.999048  +3.19  -15.18c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 13:43:44   213.490111  +4.33  -14.63c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 13:44:58    83.353419  +3.99  -14.64c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 13:46:03   290.323701  +4.46  -15.48c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 13:47:26   371.122289  +4.54  -14.46c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 13:48:34    66.197937  +3.86  -15.42c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 591 13:50:00    49.238251  +3.76  -14.90c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 592 13:51:40   113.045771  +4.06  -14.87c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 13:53:05   107.081067  +4.00  -14.83c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 594 13:54:29   103.342858  +4.01  -15.31c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 595 13:55:56   168.260335  +4.22  -14.67c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 596 13:57:02   162.678442  +4.21  -15.16c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 597 13:58:29   185.654282  +4.27  -14.83c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 598 13:59:49    12.020425  +3.34  -15.33c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 599 14:00:49   566.389565  +4.71  -15.03c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 600 14:02:10   271.052554  +4.43  -14.83c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 601 14:02:56    32.396941  +3.70  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 602 14:04:08   178.003807  +4.29  -14.69c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 603 14:05:23   110.504446  +4.10  -14.69c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 604 14:07:19   473.231879  +4.66  -14.76c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 605 14:08:26   112.844592  +4.10  -15.39c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 606 14:09:46    69.297719  +3.88  -15.20c   -2.0000          37
MOM has detected variational collapse, occupied orbitals have changed
iter: 607 14:11:38   220.267558  +4.37  -14.74c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 608 14:13:01   113.678981  +4.11  -15.34c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 14:14:16   490.091455  +4.72  -15.34c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 610 14:15:29    -1.548176  +2.96  -15.07c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 611 14:16:26   648.789125  +4.89  -15.33c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 14:17:31   430.464222  +4.76  -14.84c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 613 14:18:45    59.222431  +4.01  -14.81c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 614 14:20:05   171.668563  +4.42  -14.93c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 615 14:21:14    40.233914  +3.88  -14.57c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 616 14:22:12    -6.846152  +2.62  -15.07c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 617 14:23:04   739.323859  +5.02  -15.47c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 618 14:24:41  1218.613540  +5.11  -15.37c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 14:26:18    98.784167  +4.12  -14.90c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 620 14:27:49    49.379893  +3.87  -14.74c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 621 14:29:08    28.618443  +3.78  -15.42c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 622 14:30:04    61.091339  +3.99  -14.87c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 14:31:34   169.951566  +4.36  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 14:32:37    35.069441  +3.80  -14.82c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 625 14:33:27    80.364039  +4.10  -14.76c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 14:34:29  1556.126439  +5.10  -14.51c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 14:35:31   163.720218  +4.31  -14.86c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 14:36:15    60.732201  +3.97  -15.37c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 629 14:37:00   589.818865  +4.81  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 630 14:37:48   851.931742  +4.91  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 631 14:39:06   149.196298  +4.21  -15.37c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 14:40:16    27.196930  +3.64  -14.99c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 633 14:41:29    -0.312638  +3.22  -14.87c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 14:42:17    18.329373  +3.59  -15.06c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 635 14:43:39   101.742675  +4.10  -14.61c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 636 14:44:51   564.121425  +4.75  -15.34c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 637 14:46:02     8.696306  +3.46  -14.74c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 638 14:46:49   395.133219  +4.63  -15.03c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 639 14:47:59   313.656298  +4.55  -14.81c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 640 14:48:45    33.118835  +3.73  -15.15c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 14:49:39     6.295920  +3.44  -15.34c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 642 14:50:42   101.055348  +4.11  -14.53c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 643 14:52:19   396.032228  +4.63  -15.42c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 14:53:42   312.169793  +4.51  -15.12c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 645 14:55:00    70.003889  +3.93  -14.52c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 646 14:56:21    84.865901  +4.04  -15.31c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 14:57:24     1.840793  +3.27  -14.66c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 648 14:58:46   719.652310  +4.79  -14.68c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 649 14:59:59   607.131173  +4.78  -14.71c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 650 15:00:44    97.254041  +4.08  -15.00c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 651 15:01:32   681.763981  +4.84  -15.21c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 15:02:31   865.953425  +4.88  -14.76c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 653 15:03:13   781.329382  +4.81  -15.38c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 15:03:59   103.683954  +4.06  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 655 15:04:47    -1.357598  +3.16  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 15:05:33    22.749360  +3.61  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 15:06:17    46.806645  +3.81  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 15:07:27   290.147415  +4.46  -15.32c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 15:08:17    10.984301  +3.45  -15.28c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 15:09:05   210.278941  +4.34  -15.50c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 15:09:43   153.124959  +4.19  -15.25c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 662 15:10:30   431.763691  +4.59  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 663 15:11:44    23.535384  +3.56  -15.36c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 664 15:13:31   468.082748  +4.63  -14.73c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 15:14:44    70.033397  +3.90  -14.87c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 666 15:16:22   363.245286  +4.52  -15.05c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 667 15:18:01  1079.376977  +4.97  -14.63c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 668 15:19:09  1100.286437  +4.93  -14.51c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 669 15:21:13   311.137534  +4.44  -14.73c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 15:22:12   223.287567  +4.31  -15.13c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 15:23:21   455.480454  +4.59  -14.64c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 672 15:24:39    12.866381  +3.38  -14.56c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 673 15:25:50   440.878093  +4.55  -14.85c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 674 15:27:06   176.216222  +4.22  -14.87c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 675 15:27:59   270.146930  +4.39  -14.98c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 676 15:29:09    88.685807  +3.99  -14.80c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 677 15:30:24    97.761323  +4.04  -14.94c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 678 15:31:16    25.918279  +3.64  -14.63c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 679 15:31:59    -7.920400  +2.85  -15.35c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 680 15:33:11    19.704043  +3.56  -15.25c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 681 15:34:21    47.131089  +3.82  -14.86c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 15:35:05    12.122995  +3.50  -15.08c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 683 15:35:55    37.567494  +3.76  -15.24c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 684 15:37:03    19.215171  +3.57  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 15:37:49    12.779653  +3.49  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 686 15:38:41     3.028562  +3.25  -15.39c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 687 15:39:29     6.932303  +3.32  -15.27c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 688 15:40:37    -4.124686  +3.05  -15.47c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 15:41:51  1592.615865  +5.20  -14.83c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 690 15:43:22   979.446490  +5.11  -15.35c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 691 15:44:44   132.434481  +4.35  -15.01c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 692 15:45:52    85.565373  +4.19  -14.82c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 693 15:46:56    87.788869  +4.19  -14.64c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 694 15:47:43   152.127248  +4.40  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 15:49:02    65.654732  +4.06  -15.36c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 15:49:49    47.825719  +3.96  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 697 15:50:40     9.776047  +3.49  -15.22c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 698 15:51:33    44.576844  +3.89  -15.27c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 15:52:33    31.034007  +3.74  -15.00c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 700 15:53:57   838.966234  +5.04  -14.77c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 701 15:55:20  1379.879953  +5.17  -14.90c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 702 15:57:17   133.589036  +4.24  -14.58c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 15:58:25  1248.856303  +5.18  -15.56c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 704 15:59:48  1457.695800  +5.21  -15.14c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 705 16:00:48   851.927613  +5.10  -15.14c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 706 16:02:12   321.440277  +4.76  -14.82c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 707 16:03:33   250.216639  +4.66  -15.08c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 708 16:05:03    31.921413  +3.87  -15.10c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 709 16:06:23   371.311830  +4.81  -14.92c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 16:08:01    73.845398  +4.15  -14.53c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 711 16:09:53   301.220420  +4.73  -14.43c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 16:10:53    44.964864  +4.05  -14.66c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 713 16:11:57   365.352206  +4.81  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 16:12:53   217.845705  +4.60  -15.32c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 715 16:14:06   577.742480  +4.96  -14.99c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 716 16:15:21   236.716548  +4.63  -14.93c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 717 16:16:24   187.687094  +4.55  -14.98c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 718 16:17:23   210.529622  +4.56  -14.55c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 719 16:18:52   139.367751  +4.41  -14.79c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 16:20:11   388.580379  +4.76  -15.56c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 721 16:20:56   560.408444  +4.86  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 722 16:22:34    97.822462  +4.18  -14.91c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 16:23:51   135.256579  +4.29  -15.29c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 724 16:24:57    50.742205  +3.92  -15.46c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 16:26:10    19.875578  +3.69  -15.31c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 726 16:26:57    61.001603  +3.98  -15.10c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 727 16:28:11    40.096170  +3.88  -15.22c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 728 16:29:22     6.752907  +3.50  -14.73c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 729 16:30:16    -2.209210  +3.29  -15.21c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 730 16:31:04    31.591157  +3.78  -15.50c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 731 16:31:54    28.041218  +3.74  -15.32c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 732 16:32:55   363.748880  +4.69  -15.25c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 733 16:33:58    91.153223  +4.17  -14.78c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 734 16:34:47    33.798560  +3.81  -15.49c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 16:35:33    27.573213  +3.76  -15.45c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 16:37:08    84.502810  +4.17  -15.43c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 16:38:16   308.155754  +4.64  -14.87c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 738 16:39:18   682.281236  +4.91  -14.87c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 16:40:14    70.207165  +4.00  -15.02c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 16:41:08   365.221326  +4.70  -15.30c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 16:42:12     2.342894  +3.28  -14.72c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 742 16:43:03     7.367044  +3.46  -15.20c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 743 16:43:52   402.397270  +4.70  -15.52c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 744 16:44:40   172.806108  +4.42  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 745 16:45:29   186.449963  +4.44  -15.15c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 16:46:19   372.419264  +4.71  -15.43c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 16:47:07    52.257307  +3.95  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 748 16:48:03   447.642364  +4.74  -15.30c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 749 16:48:54   631.694756  +4.86  -15.36c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 750 16:50:32   480.320441  +4.75  -14.65c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 16:52:02   448.870214  +4.73  -15.13c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 16:52:56   525.140815  +4.83  -15.14c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 753 16:54:19   394.432456  +4.73  -14.70c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 754 16:55:29   464.286070  +4.82  -14.84c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 755 16:56:44   137.059926  +4.36  -14.47c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 756 16:57:50   189.249357  +4.53  -14.91c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 757 16:58:43    64.284048  +4.10  -15.31c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 758 16:59:52    -2.930796  +3.08  -14.89c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 759 17:01:20    32.935105  +3.88  -14.82c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 760 17:02:30   359.222961  +4.77  -14.64c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 17:03:59    31.957832  +3.85  -14.89c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 17:05:19    30.888689  +3.87  -14.77c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 17:06:14   432.886654  +4.84  -14.91c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 764 17:07:11   234.986652  +4.59  -15.08c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 765 17:08:11    51.932444  +4.06  -14.90c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 17:09:22    -7.826245  +2.87  -14.90c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 17:10:49    57.872321  +4.07  -14.76c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 768 17:12:03   329.155457  +4.74  -14.58c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 769 17:13:13   243.733527  +4.61  -14.66c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 17:14:24    45.036374  +3.98  -15.21c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 17:15:11    34.967076  +3.93  -14.69c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 772 17:16:08    60.018861  +4.08  -15.35c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 773 17:17:37    72.667140  +4.13  -14.93c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 774 17:18:51    82.539893  +4.17  -14.71c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 17:20:09   521.658320  +4.87  -14.96c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 17:21:21   163.083107  +4.40  -14.84c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 17:23:54    86.010153  +4.18  -14.90c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 778 17:25:26   156.828917  +4.39  -15.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 779 17:26:40    28.052631  +3.82  -15.20c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 780 17:27:49    52.494408  +3.98  -14.68c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 781 17:29:04   -11.377042  +2.98  -15.26c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 782 17:30:11   109.228451  +4.23  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 17:32:08    73.930197  +4.02  -15.30c   -2.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 17:33:25   108.413741  +4.18  -14.83c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 17:34:32   167.928070  +4.35  -14.83c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 786 17:35:20    16.841419  +3.62  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 17:36:09   218.072854  +4.44  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 17:37:28    88.885124  +4.09  -15.34c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 17:38:22   123.294285  +4.21  -15.23c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 17:39:31    15.603757  +3.59  -14.55c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 17:40:23    48.648398  +3.90  -15.55c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 17:41:07   192.403526  +4.39  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 793 17:42:33    23.990637  +3.72  -14.77c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 17:45:35   -10.794691  +3.01  -15.33c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 17:46:32   160.570984  +4.33  -15.07c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 17:47:22   -13.088746  +2.91  -15.27c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 797 17:48:14    27.743018  +3.77  -15.29c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 798 17:49:01    24.124415  +3.72  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 17:49:53    20.199748  +3.67  -15.59c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 17:50:39    55.310430  +3.93  -15.03c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 17:53:19     1.426701  +3.37  -14.97c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 17:54:09    25.358388  +3.74  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 17:54:57    54.618374  +3.94  -15.13c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 17:55:44   144.019173  +4.27  -15.49c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 17:56:54    27.040056  +3.74  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 17:57:44    40.620925  +3.86  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 17:58:29    26.260512  +3.72  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 17:59:21    31.221717  +3.77  -15.30c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 18:00:30    16.234653  +3.63  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 18:01:15    27.941213  +3.77  -15.42c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 18:01:58    14.847989  +3.61  -15.22c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 18:02:51    21.546539  +3.69  -15.28c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 18:03:39    15.604312  +3.60  -15.10c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 18:04:24    -0.151799  +3.33  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 18:05:11     8.633910  +3.49  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 18:05:55    21.810896  +3.69  -15.12c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 18:06:45    25.342526  +3.70  -15.48c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 18:07:33    36.965899  +3.83  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 18:08:19    13.519790  +3.52  -15.17c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 18:09:07    40.206676  +3.84  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 18:10:08    66.545016  +4.03  -15.31c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 18:11:07  1233.504929  +5.22  -15.51c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 18:12:38  1120.151485  +5.25  -15.42c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 18:14:05   618.781408  +5.09  -14.54c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 18:15:01   312.212408  +4.85  -15.38c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 18:16:15    65.123186  +4.25  -15.10c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 18:17:29    17.932695  +3.84  -14.60c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 18:18:30     5.055235  +3.71  -14.68c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 18:19:19   144.183686  +4.56  -15.35c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 18:20:06    60.959381  +4.23  -15.35c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 18:21:07   198.582803  +4.65  -14.58c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 832 18:22:15    29.285312  +3.99  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 833 18:23:27   341.161793  +4.86  -15.43c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 18:25:03   174.238056  +4.61  -14.71c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 18:26:03    86.587070  +4.35  -14.73c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 18:27:12   172.755906  +4.59  -14.62c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 18:29:03    43.107781  +4.10  -14.51c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 838 18:29:57   327.317098  +4.81  -15.08c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 18:31:09   285.362986  +4.75  -14.59c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 18:32:10   419.088304  +4.87  -14.50c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 18:33:50   241.279543  +4.62  -15.39c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 18:35:15    38.901771  +3.98  -14.64c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 18:36:50   304.183166  +4.70  -14.75c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 18:38:37    86.104568  +4.25  -14.79c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 18:40:03   537.716981  +5.00  -14.57c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 18:41:23   121.287627  +4.41  -14.94c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 18:42:36   149.345125  +4.47  -15.32c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 18:44:06   133.603976  +4.43  -15.04c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 18:45:01    27.539972  +3.92  -15.43c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 18:46:09    -2.549879  +3.44  -14.95c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 18:47:16   482.551044  +4.98  -14.85c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 18:48:41    82.628711  +4.30  -14.85c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 853 18:50:09   129.305152  +4.48  -14.68c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 18:51:36   272.141981  +4.75  -14.79c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 855 18:53:08    21.787105  +3.89  -14.79c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 856 18:54:34   353.917610  +4.82  -14.77c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 18:55:56   139.314410  +4.44  -14.65c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 18:57:12    55.547330  +4.10  -14.55c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 18:58:28    96.771513  +4.31  -14.94c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 18:59:42   235.789948  +4.64  -14.75c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 19:00:54   192.484490  +4.59  -14.72c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 19:02:14   152.674862  +4.47  -14.68c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 19:03:30   529.728413  +4.92  -14.75c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 19:04:41   309.634064  +4.70  -14.87c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 19:06:04   589.006241  +4.89  -15.20c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 19:07:37   209.624166  +4.49  -14.81c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 19:08:54   841.016550  +4.97  -14.73c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 868 19:10:09    37.014527  +3.79  -14.55c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 869 19:11:35   219.599111  +4.47  -15.00c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 19:13:00   493.994859  +4.83  -14.97c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 19:14:39   300.342828  +4.65  -14.74c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 19:15:52    56.265126  +3.99  -14.79c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 19:17:20   158.306421  +4.37  -14.77c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 19:18:36   107.923288  +4.22  -14.82c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 19:20:04   125.787941  +4.26  -14.90c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 876 19:21:35   263.034271  +4.50  -14.74c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 19:22:40   100.516966  +4.13  -15.15c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 878 19:23:58    42.193287  +3.87  -14.51c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 19:24:55   419.017702  +4.69  -14.76c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 880 19:25:42    84.804717  +4.08  -15.56c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 881 19:26:31   300.642177  +4.60  -15.44c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 19:27:53   202.845462  +4.48  -14.82c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 19:29:20   250.579085  +4.55  -14.65c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 19:30:35    11.928823  +3.62  -14.85c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 19:31:46   393.734715  +4.72  -14.78c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 19:32:32  1151.630970  +5.07  -15.14c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 887 19:33:39   203.474306  +4.40  -14.57c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 888 19:34:45   256.142550  +4.46  -14.84c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 889 19:35:52   417.736214  +4.62  -14.96c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 890 19:36:46    72.484316  +3.96  -15.16c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 19:37:37    16.429744  +3.56  -15.21c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 892 19:38:34   122.026161  +4.15  -15.37c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 893 19:39:35  1403.357502  +5.01  -15.13c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 894 19:40:54   131.427385  +4.14  -14.83c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 895 19:42:21   804.928828  +4.81  -14.65c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 896 19:43:56   169.451099  +4.23  -14.86c   -2.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 19:46:12   925.341738  +4.85  -15.34c   -2.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 898 19:48:07   806.318383  +4.81  -14.98c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 899 19:49:08   869.333194  +4.86  -15.17c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 900 19:50:36  1004.647612  +4.86  -14.79c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 19:51:27   649.122643  +4.70  -15.36c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 902 19:52:35    88.354586  +3.92  -15.23c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 903 19:54:16   226.358447  +4.30  -14.91c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 904 19:55:58    68.740033  +3.85  -14.58c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 905 19:56:43    36.972181  +3.59  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 906 19:57:54    24.917972  +3.55  -15.07c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 907 19:59:12    37.313066  +3.65  -14.71c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 908 20:00:22    -8.999673  +2.45  -14.75c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 909 20:01:32    -5.781479  +2.69  -14.71c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 910 20:03:14    61.188977  +3.85  -14.82c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 911 20:04:22    37.660005  +3.70  -14.69c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 20:06:00   790.853425  +4.80  -14.68c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 20:07:21   249.882252  +4.39  -15.18c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 20:08:31   150.390528  +4.20  -15.17c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 915 20:10:01   212.159178  +4.34  -14.92c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 20:10:56   844.164051  +4.88  -15.34c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 917 20:12:03  1329.434999  +4.97  -15.34c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 20:13:32   714.699808  +4.77  -14.84c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 20:14:42  1069.922127  +4.88  -15.33c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 920 20:16:28   194.396644  +4.23  -14.79c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 921 20:18:38   212.672365  +4.27  -14.48c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 20:20:04  1111.075427  +4.89  -14.69c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 20:21:16   127.603415  +4.11  -14.77c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 924 20:22:17   134.939230  +4.13  -15.44c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 20:23:38   220.383189  +4.34  -15.15c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 926 20:24:56   110.539307  +4.08  -15.05c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 20:26:47   667.792439  +4.76  -14.80c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 928 20:28:02   367.459267  +4.57  -14.77c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 929 20:29:24   192.417773  +4.30  -15.24c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 930 20:30:36   130.928512  +4.14  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 931 20:31:47    -9.042869  +2.47  -15.08c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 932 20:33:03    17.090253  +3.52  -14.73c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 933 20:33:54   369.246637  +4.55  -15.08c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 20:35:05   138.684425  +4.16  -14.50c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 935 20:36:17   436.974601  +4.59  -14.54c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 936 20:37:24   363.900244  +4.52  -14.66c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 937 20:38:59  1508.302904  +4.97  -14.76c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 938 20:40:20   305.142814  +4.46  -14.71c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 939 20:41:23   159.854273  +4.24  -14.69c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 940 20:43:16    24.903839  +3.56  -14.81c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 941 20:45:01     3.838790  +3.26  -14.55c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 20:46:11   178.715850  +4.33  -15.01c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 943 20:47:18   685.025586  +4.83  -14.82c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 944 20:48:45   227.026120  +4.41  -14.77c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 945 20:49:51  1110.104403  +5.00  -14.99c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 946 20:50:47    -1.548557  +3.15  -14.76c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 947 20:52:02    19.396182  +3.63  -15.17c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 948 20:53:11   448.478180  +4.70  -14.73c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 20:54:36   405.581566  +4.68  -14.71c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 20:55:57    -4.832324  +2.93  -15.04c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 951 20:57:54    19.602172  +3.68  -14.77c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 952 21:01:07    22.345403  +3.68  -14.66c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 953 21:02:17    39.753540  +3.84  -14.65c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 954 21:03:35    53.932845  +3.96  -15.39c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 955 21:04:29    20.973527  +3.69  -15.41c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 956 21:05:42    -1.726275  +3.33  -14.75c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 21:06:37    -3.544873  +3.22  -15.19c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 958 21:07:56    42.109029  +3.88  -14.68c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 21:08:47    14.489066  +3.63  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 960 21:09:32    54.611927  +3.98  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 961 21:10:26    14.027564  +3.65  -15.15c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 21:11:17     8.762905  +3.57  -15.43c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 963 21:12:06     5.016344  +3.49  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 964 21:13:19    36.765921  +3.87  -15.31c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 965 21:14:10   201.805084  +4.46  -15.24c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 966 21:15:07   289.400710  +4.59  -15.19c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 967 21:16:03   129.715261  +4.26  -15.31c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 968 21:17:13   273.224010  +4.57  -14.95c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 969 21:19:46    67.497792  +3.99  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 970 21:20:41    43.604261  +3.82  -14.48c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 971 21:21:31   106.040341  +4.15  -15.27c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 972 21:22:45   239.554116  +4.48  -15.34c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 21:23:53    42.809386  +3.86  -15.09c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 21:25:48    33.794606  +3.73  -14.81c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 975 21:26:53   392.374068  +4.71  -15.36c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 976 21:28:30    28.646779  +3.72  -14.87c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 977 21:29:18    36.839074  +3.82  -15.44c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 21:30:49    87.278482  +4.08  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 979 21:31:52    58.535764  +3.91  -15.30c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 980 21:33:27    46.517316  +3.82  -15.30c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 981 21:38:12     9.717610  +3.26  -1.86    -2.0000          40
MOM has detected variational collapse, occupied orbitals have changed
iter: 982 21:39:27    57.669260  +3.95  -14.81c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 983 21:40:33    51.496082  +3.92  -14.97c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 984 21:41:30    25.027538  +3.72  -15.66c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 985 21:42:25  1299.358605  +5.23  -14.94c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 21:43:08   189.869750  +4.49  -15.02c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 21:44:23    41.807775  +3.90  -15.33c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 988 21:45:15   202.053100  +4.46  -15.15c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 21:47:18   458.295167  +4.78  -14.77c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 990 21:49:37    49.765579  +3.91  -14.65c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 991 21:50:54    43.329506  +3.89  -14.78c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 21:51:41   943.416089  +4.98  -14.93c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 21:53:04     6.031948  +3.45  -14.69c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 994 21:54:15  1431.614202  +5.04  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 995 21:55:21   -14.026652  +2.63  -14.63c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 996 21:57:12    -0.529088  +3.30  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 997 21:57:53   797.508483  +4.85  -14.99c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 21:59:01   156.387906  +4.23  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 22:00:23   141.514517  +4.17  -15.44c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 22:01:24    69.642646  +3.91  -14.92c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed

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


