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

User:   aes38@compute-76
Date:   Sat Sep 30 00:49:17 2023
Arch:   x86_64
Pid:    2179275
CWD:    /users/home/aes38/Rydberg/new/ethylene/Csic/ninthext
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: 182.02 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. ... 0. 1. 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: 271.41 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                             |  
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 |            |                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 00:54:20   -19.603656  +0.70  -14.67c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:   2 00:55:23   -19.964375  +0.29  -15.34c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:   3 00:57:38   -20.223421  -0.01  -4.88c   -2.0000          31
iter:   4 00:58:50   -20.441955  -0.94  -4.65c   -2.0000          37
iter:   5 01:00:02   -20.473634  -1.01  -4.32c   -2.0000          36
iter:   6 01:01:22   -20.524434  +0.20  -5.21c   -2.0000          42
iter:   7 01:02:36   -19.609198  +2.30  -4.49c   -2.0000          38
iter:   8 01:04:09   -20.522124  +0.46  -4.05c   -2.0000          46
iter:   9 01:05:26   -19.688031  +2.35  -4.68c   -2.0000          40
iter:  10 01:06:40   -20.560108  +1.20  -5.12c   -2.0000          39
iter:  11 01:07:45   -20.565820  +1.27  -4.53c   -2.0000          33
iter:  12 01:08:56   -20.645872  -0.57  -4.86c   -2.0000          34
iter:  13 01:10:18   -20.645629  -0.01  -3.87    -2.0000          40
iter:  14 01:11:53   -20.652390  -0.40  -4.90c   -2.0000          46
iter:  15 01:14:50   -20.651190  +0.05  -1.89    -2.0000          83
MOM has detected variational collapse, occupied orbitals have changed
iter:  16 01:15:47   -20.810476  -0.32  -14.66c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  17 01:16:38   -20.789849  +0.40  -14.72c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  18 01:17:21   -20.785119  +0.71  -14.34c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  19 01:18:41   -20.528027  +0.99  -15.22c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  20 01:19:44   -20.414904  +1.52  -14.47c   -2.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter:  21 01:20:56   -20.213554  +1.79  -14.96c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  22 01:21:36   -20.605904  +1.58  -15.38c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  23 01:22:12   -20.170713  +1.87  -15.27c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter:  24 01:23:53   -20.274236  +1.32  -2.12    -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  25 01:24:34   -20.529719  +1.14  -14.83c   -2.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter:  26 01:25:06   -20.537038  +1.57  -15.30c   -2.0000           5
MOM has detected variational collapse, occupied orbitals have changed
iter:  27 01:31:39   -20.657824  +0.47  -2.20    -2.0000          87
MOM has detected variational collapse, occupied orbitals have changed
iter:  28 01:32:34   -19.974298  +2.14  -14.84c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  29 01:33:10   -19.003810  +2.61  -15.32c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter:  30 01:33:50   -15.325923  +3.11  -15.24c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  31 01:34:26    -1.601053  +3.67  -15.16c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter:  32 01:34:58    62.268441  +4.30  -15.31c   -2.0000           5
MOM has detected variational collapse, occupied orbitals have changed
iter:  33 01:35:31   122.050265  +4.51  -15.27c   -2.0000           5
MOM has detected variational collapse, occupied orbitals have changed
iter:  34 01:36:05   211.189375  +4.69  -15.21c   -2.0000           5
MOM has detected variational collapse, occupied orbitals have changed
iter:  35 01:36:44   293.097131  +4.77  -15.14c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  36 01:37:19    98.389175  +4.35  -15.38c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter:  37 01:38:16   868.391482  +5.09  -15.14c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  38 01:39:25   421.969109  +4.76  -15.47c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  39 01:40:44   205.247312  +4.46  -15.11c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter:  40 01:41:32   141.395781  +4.30  -15.08c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  41 01:42:58   336.318398  +4.61  -14.93c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  42 01:43:44   110.003213  +4.18  -15.01c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  43 01:44:35   251.394294  +4.46  -15.33c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  44 01:45:23    35.903643  +3.78  -15.16c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  45 01:46:37    -0.298621  +3.36  -15.42c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  46 01:47:26    97.770234  +4.12  -15.35c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  47 01:48:11     9.674561  +3.52  -15.07c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  48 01:49:02    -4.156684  +3.19  -15.24c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  49 01:49:59   183.460509  +4.35  -15.22c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter:  50 01:50:50    -9.278763  +2.91  -15.43c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  51 01:51:33   821.355829  +4.90  -15.35c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  52 01:53:08  1035.408642  +5.04  -14.94c   -2.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter:  53 01:54:24   164.752009  +4.37  -14.75c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  54 01:55:09   619.544871  +4.83  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  55 01:56:13   620.137046  +4.76  -14.68c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  56 01:56:53   189.984430  +4.29  -14.92c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  57 01:57:39    22.147123  +3.61  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  58 01:58:25   152.669209  +4.25  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  59 01:59:13    17.099251  +3.57  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  60 01:59:59    10.697449  +3.49  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  61 02:00:47    32.677295  +3.74  -15.09c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  62 02:01:55    54.579641  +3.87  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  63 02:02:39   560.605001  +4.75  -15.42c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  64 02:03:22   409.127103  +4.63  -15.46c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  65 02:04:07  1240.944026  +4.93  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  66 02:05:08   594.652998  +4.72  -15.01c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  67 02:08:56    62.757485  +3.87  -15.36c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter:  68 02:10:09   306.744440  +4.46  -15.41c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  69 02:10:58    53.345529  +3.83  -15.52c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  70 02:12:27   294.605522  +4.45  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  71 02:14:02    89.691518  +4.00  -15.09c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  72 02:14:50    75.925867  +3.94  -15.24c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  73 02:15:59    33.761916  +3.70  -14.74c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  74 02:17:48    47.028593  +3.80  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  75 02:18:37     4.994155  +3.38  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  76 02:19:24     7.247900  +3.42  -15.42c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  77 02:20:05    33.667261  +3.71  -15.01c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  78 02:20:55    -6.764914  +3.05  -15.09c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  79 02:22:05    23.924576  +3.63  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  80 02:22:55  1060.203011  +4.90  -14.93c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  81 02:24:03    -6.381619  +2.96  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  82 02:24:46   250.051073  +4.37  -15.24c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  83 02:25:51   119.619930  +4.10  -15.36c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  84 02:26:34    61.050219  +3.85  -15.11c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  85 02:27:23    94.816181  +4.01  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  86 02:28:30    94.884494  +3.99  -15.03c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  87 02:29:18    33.287226  +3.65  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  88 02:31:09   342.567211  +4.43  -15.54c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  89 02:31:56   261.972526  +4.32  -15.01c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  90 02:33:17   188.140755  +4.20  -14.96c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  91 02:33:58    73.907222  +3.86  -15.03c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  92 02:35:27   231.654869  +4.26  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  93 02:36:17   179.542586  +4.17  -15.45c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  94 02:37:12   240.558178  +4.27  -14.86c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  95 02:37:55  2102.552841  +4.80  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  96 02:38:53   149.304582  +4.08  -14.59c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  97 02:39:33   430.417756  +4.47  -15.35c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  98 02:40:13   508.964170  +4.52  -15.17c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  99 02:40:56  1275.590157  +4.78  -15.23c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 100 02:42:36   205.913338  +4.18  -15.28c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 101 02:44:08    85.949477  +3.87  -14.59c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 102 02:45:05   133.517666  +4.05  -15.18c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 103 02:45:55     8.669490  +3.31  -15.48c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 104 02:46:42    68.593481  +3.82  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 105 02:47:28    19.939604  +3.46  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 106 02:48:37   162.631209  +4.11  -15.48c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 107 02:49:26   108.098977  +3.98  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 108 02:50:44    87.811183  +3.90  -15.35c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 109 02:51:53   163.639245  +4.13  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 110 02:52:53    41.987532  +3.67  -14.66c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 111 02:54:01    28.210601  +3.58  -15.48c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 02:55:07    69.120217  +3.83  -15.31c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 113 02:55:53    25.426573  +3.54  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 114 02:56:34   198.995803  +4.20  -15.35c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 02:57:40   795.883215  +4.69  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 02:58:28     4.968154  +3.29  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 117 02:59:33   241.565564  +4.27  -14.74c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 118 03:00:17    35.732174  +3.62  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 03:01:21   194.797713  +4.20  -15.33c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 03:02:36    65.525473  +3.82  -15.22c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 121 03:03:43    44.171587  +3.70  -14.85c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 122 03:04:31    -5.890906  +3.05  -15.17c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 03:05:16   133.256259  +4.07  -15.41c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 124 03:06:21    -9.695503  +2.92  -15.24c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 03:07:28   -14.457035  +2.71  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 03:08:34   132.232019  +4.09  -15.13c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 03:09:17   153.228316  +4.14  -15.02c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 128 03:10:02   106.408352  +4.01  -15.09c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 129 03:10:52    44.720633  +3.72  -15.03c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 130 03:11:40   313.465778  +4.39  -15.18c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 131 03:12:29   378.043140  +4.44  -15.03c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 132 03:13:09   169.117298  +4.14  -15.34c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 133 03:13:48    49.700684  +3.71  -15.27c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 134 03:14:24   281.944690  +4.33  -15.17c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 135 03:15:29   145.065161  +4.08  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 136 03:16:42    43.948364  +3.69  -15.44c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 137 03:17:24   191.033291  +4.19  -15.35c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 138 03:18:11   161.794426  +4.15  -15.62c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 139 03:18:59   205.385940  +4.24  -15.46c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 140 03:19:46   209.038064  +4.26  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 141 03:20:29   294.925573  +4.37  -15.36c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 142 03:21:49   190.995581  +4.20  -15.18c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 143 03:23:11    29.440359  +3.58  -15.30c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 144 03:24:53    22.877239  +3.50  -14.58c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 145 03:26:26   225.616983  +4.29  -15.27c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 146 03:27:38   524.638359  +4.61  -15.22c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 147 03:28:28   592.748704  +4.63  -14.83c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 148 03:29:09    62.641189  +3.82  -15.25c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 149 03:29:53    40.727453  +3.68  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 150 03:30:36   156.338218  +4.13  -15.23c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 151 03:31:23    18.574172  +3.49  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 152 03:32:02   -15.492973  +2.56  -15.18c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 153 03:33:10    28.762588  +3.59  -15.42c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 154 03:33:56  1118.819837  +4.79  -15.14c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 155 03:34:49   108.398086  +3.99  -14.87c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 156 03:35:36    25.162168  +3.53  -15.52c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 157 03:36:17   953.592102  +4.77  -15.22c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 158 03:37:00   870.268908  +4.70  -15.42c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 159 03:37:49  1997.446189  +4.79  -15.19c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 160 03:38:48    21.998065  +3.48  -14.55c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 161 03:39:33   -15.818584  +2.47  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 162 03:40:19   516.305187  +4.52  -15.51c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 163 03:41:02   204.150077  +4.18  -15.27c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 164 03:41:46   567.676975  +4.53  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 165 03:42:34   191.251163  +4.14  -15.44c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 166 03:45:05   172.212809  +4.11  -14.97c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 167 03:45:52     5.824080  +3.28  -14.96c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 03:46:35     0.913274  +3.19  -15.25c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 169 03:47:22     8.891785  +3.32  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 170 03:48:12    -6.025401  +3.04  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 171 03:49:02   -13.379302  +2.75  -15.11c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 172 03:49:47   -10.947641  +2.88  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 173 03:50:29   649.180052  +4.68  -15.39c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 174 03:52:05    95.411844  +3.95  -15.23c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 175 03:53:11   163.211314  +4.15  -14.88c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 176 03:54:06    32.288026  +3.61  -15.44c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 177 03:55:35   374.060878  +4.45  -14.52c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 178 03:56:25   184.967717  +4.20  -15.26c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 179 03:57:11   253.924040  +4.31  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 180 03:59:57    53.812243  +3.62  -14.81c   -2.0000          37
MOM has detected variational collapse, occupied orbitals have changed
iter: 181 04:01:21   774.407636  +4.72  -14.88c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 182 04:02:34     3.152525  +3.11  -14.45c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 183 04:04:20   291.071336  +4.37  -14.82c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 184 04:05:27   547.281726  +4.60  -14.53c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 185 04:06:23   671.209759  +4.64  -14.83c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 186 04:07:51   843.265325  +4.72  -15.05c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 187 04:10:32    35.322111  +3.53  -14.69c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 188 04:12:09   101.853821  +3.94  -14.75c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 189 04:13:49    50.110555  +3.67  -15.30c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 190 04:15:27    15.185570  +3.39  -15.33c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 191 04:16:36    71.092188  +3.83  -14.67c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 192 04:17:23    69.118024  +3.82  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 193 04:18:20    15.638212  +3.44  -14.78c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 194 04:19:10    -5.726230  +3.06  -15.18c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 195 04:19:51    -5.973584  +3.07  -15.39c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 196 04:20:30     5.401120  +3.31  -15.09c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 197 04:21:10   733.093544  +4.70  -14.95c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 198 04:21:52   321.655038  +4.40  -15.38c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 199 04:22:52   337.727104  +4.41  -14.88c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 200 04:23:35    40.649906  +3.68  -15.21c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 201 04:24:44   435.163489  +4.48  -15.49c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 202 04:28:29   231.552218  +4.25  -15.45c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 203 04:29:24    49.211356  +3.71  -15.19c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 204 04:30:11   196.370074  +4.19  -15.11c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 205 04:30:59   794.355622  +4.69  -15.01c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 206 04:31:42    43.378447  +3.68  -15.32c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 207 04:32:25   271.532892  +4.32  -15.06c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 208 04:33:14   143.556572  +4.09  -15.65c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 209 04:33:59   371.103119  +4.42  -15.18c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 210 04:34:42   244.734171  +4.27  -15.30c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 211 04:35:31   101.299130  +3.94  -15.17c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 212 04:36:18   144.631497  +4.07  -15.14c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 213 04:37:26    26.831229  +3.54  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 214 04:38:10    12.375882  +3.39  -15.20c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 215 04:38:57   102.697079  +3.96  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 216 04:39:37   179.623447  +4.15  -15.51c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 217 04:40:42    15.657525  +3.43  -15.58c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 218 04:41:25    53.437913  +3.75  -15.35c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 219 04:42:04    33.821985  +3.61  -15.39c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 220 04:42:43   369.649273  +4.44  -15.14c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 221 04:43:28    55.481054  +3.77  -14.90c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 222 04:44:09    24.156971  +3.54  -15.22c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 223 04:45:13    30.282490  +3.60  -15.39c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 224 04:45:51    88.642434  +3.93  -15.34c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 225 04:46:39   210.521193  +4.23  -15.47c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 226 04:47:20   105.453643  +3.99  -15.19c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 227 04:48:25   818.284655  +4.73  -15.12c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 228 04:49:38   135.456395  +4.07  -15.43c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 229 04:50:32   115.069213  +4.01  -15.29c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 230 04:51:42   440.244155  +4.50  -15.38c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 231 04:52:27    61.462639  +3.79  -15.01c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 232 04:53:37    98.788465  +3.94  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 233 04:54:29    46.458027  +3.71  -15.43c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 234 04:55:13   250.145898  +4.29  -15.28c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 235 04:55:59    -7.241499  +3.02  -15.06c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 236 04:56:59    60.672418  +3.78  -15.60c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 237 04:57:42   -11.901178  +2.80  -15.48c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 238 04:58:26    26.014002  +3.53  -15.39c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 239 04:59:10   274.705678  +4.28  -15.19c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 240 05:00:22     7.026887  +3.27  -15.30c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 241 05:01:09    23.147818  +3.50  -15.46c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 242 05:01:56     9.612468  +3.36  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 243 05:03:00    49.103871  +3.72  -15.29c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 244 05:04:04    14.493524  +3.44  -15.39c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 245 05:05:09     5.780085  +3.34  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 246 05:05:54   -14.442971  +2.75  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 247 05:06:39    28.380014  +3.62  -15.24c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 248 05:07:22    10.010948  +3.41  -15.39c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 249 05:08:07   -14.557565  +2.73  -15.57c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 250 05:08:48   100.811500  +4.03  -15.12c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 251 05:09:53   458.444128  +4.59  -15.49c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 05:10:56   291.968956  +4.42  -14.82c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 253 05:11:41   108.521407  +4.06  -15.48c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 254 05:12:26    32.887513  +3.71  -15.09c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 05:13:09    26.465991  +3.67  -15.05c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 256 05:13:58    18.982082  +3.61  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 257 05:14:45    19.467294  +3.62  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 258 05:15:26     7.888314  +3.48  -15.55c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 05:16:10    76.116476  +4.02  -15.14c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 260 05:16:56    21.276100  +3.64  -15.55c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 261 05:17:42    17.649226  +3.58  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 05:18:29    19.639240  +3.62  -15.25c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 263 05:19:19    22.578107  +3.65  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 264 05:20:03     1.157448  +3.30  -15.55c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 265 05:20:49    -0.264688  +3.26  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 266 05:21:35    -0.425562  +3.26  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 267 05:22:17   148.345159  +4.17  -15.28c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 268 05:23:04    38.196103  +3.71  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 269 05:23:48    13.477843  +3.44  -14.83c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 270 05:24:33    -4.980798  +3.05  -15.35c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 271 05:25:16    -0.258529  +3.14  -15.16c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 272 05:25:58     8.327683  +3.30  -15.42c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 273 05:27:07    43.366953  +3.68  -15.13c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 274 05:27:55    11.694234  +3.37  -15.18c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 275 05:28:36    -3.167365  +3.11  -15.23c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 276 05:29:21     1.773175  +3.23  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 277 05:30:07     6.880907  +3.34  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 278 05:30:56    25.614986  +3.62  -15.53c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 279 05:31:46    35.971840  +3.73  -15.14c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 280 05:32:37     1.599401  +3.31  -15.01c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 281 05:33:23    -7.284552  +2.98  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 282 05:34:13    -6.827207  +3.03  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 283 05:35:04    56.726899  +3.92  -15.33c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 05:35:53    27.258069  +3.71  -15.04c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 05:36:39    85.071309  +4.07  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 05:37:29    47.238007  +3.87  -15.22c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 287 05:38:16    69.767883  +4.00  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 05:39:02    15.801895  +3.53  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 289 05:39:58  1528.808600  +5.22  -15.30c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 290 05:40:58    20.337568  +3.67  -14.50c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 291 05:41:46    21.250623  +3.66  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 292 05:42:32    65.915501  +4.03  -15.15c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 293 05:43:39    78.818938  +4.09  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 294 05:44:27   218.886630  +4.47  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 05:45:20   265.753078  +4.53  -15.29c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 05:46:08  1246.227887  +5.03  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 297 05:47:37    73.303704  +3.94  -14.86c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 05:49:29   525.913363  +4.70  -15.03c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 05:50:31   409.538661  +4.63  -14.53c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 05:51:45   164.872772  +4.28  -15.17c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 05:53:00    29.257268  +3.62  -14.94c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 05:54:16   245.523215  +4.47  -14.89c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 303 05:55:24    82.909709  +4.03  -14.79c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 05:56:12   108.468320  +4.12  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 05:56:52   218.915832  +4.38  -15.33c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 05:57:40   725.948166  +4.90  -15.44c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 307 05:58:26   155.305894  +4.28  -15.44c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 308 05:59:42   113.253075  +4.13  -15.26c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 309 06:01:32   316.784458  +4.53  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 310 06:02:17    99.094770  +4.07  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 311 06:04:20   383.262360  +4.59  -15.26c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 06:06:03   335.207228  +4.55  -14.83c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 313 06:07:44   357.179820  +4.55  -14.75c   -2.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter: 314 06:09:34  1039.833956  +5.00  -14.80c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 315 06:11:08   472.568998  +4.68  -14.73c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 316 06:13:02   741.545659  +4.83  -14.70c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 06:14:33   757.639021  +4.89  -14.77c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 318 06:15:42   647.295617  +4.80  -14.81c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 319 06:16:44    67.011235  +3.92  -14.70c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 320 06:17:47    65.272758  +3.90  -14.76c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 321 06:19:25   132.975524  +4.20  -14.78c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 322 06:20:31   803.298903  +4.86  -15.35c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 323 06:21:49   591.793577  +4.77  -14.76c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 324 06:22:56    63.292380  +3.88  -14.75c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 325 06:24:15   359.429741  +4.56  -14.57c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 326 06:25:25    85.342943  +4.02  -14.57c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 327 06:26:18   444.690769  +4.65  -15.42c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 328 06:27:41   630.515496  +4.80  -14.83c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 329 06:29:01   314.119338  +4.54  -14.91c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 330 06:30:14   163.628408  +4.27  -14.75c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 331 06:31:07   321.957980  +4.54  -15.45c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 06:32:10    25.493602  +3.62  -15.27c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 333 06:33:23   288.978459  +4.51  -14.66c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 334 06:34:48    52.623415  +3.86  -14.75c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 335 06:36:32    35.337748  +3.73  -14.58c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 06:37:55   242.720265  +4.45  -14.88c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 337 06:39:27   460.405356  +4.70  -14.66c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 338 06:40:29   392.984852  +4.60  -15.47c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 06:41:50   100.874847  +4.06  -14.85c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 340 06:43:26   278.477061  +4.47  -14.79c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 341 06:44:54   120.064899  +4.14  -14.79c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 342 06:46:13   248.671977  +4.45  -14.66c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 343 06:47:41   145.130490  +4.23  -14.76c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 344 06:49:01    59.809119  +3.87  -14.93c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 345 06:50:14    80.742088  +3.98  -14.64c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 346 06:51:28   152.348479  +4.22  -14.77c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 347 06:52:55   512.787662  +4.68  -14.67c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 06:54:05   105.874014  +4.05  -14.73c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 349 06:55:35    52.472709  +3.81  -14.81c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 06:56:44   424.973176  +4.56  -14.73c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 06:58:27  1064.691337  +4.82  -14.94c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 07:00:18   238.643907  +4.29  -14.78c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 353 07:01:38   540.481524  +4.60  -15.09c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 07:03:10    37.516743  +3.57  -14.56c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 355 07:04:25   173.354876  +4.18  -15.28c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 356 07:05:55   267.426430  +4.34  -14.88c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 357 07:06:50   251.125640  +4.34  -15.46c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 07:08:03   290.948408  +4.41  -14.66c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 07:09:09   311.349313  +4.41  -14.94c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 07:10:05   444.259625  +4.53  -14.65c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 361 07:11:09   140.993284  +4.10  -15.28c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 07:11:56    26.364288  +3.57  -15.17c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 363 07:12:36   334.664369  +4.45  -15.23c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 364 07:14:30   106.301613  +4.01  -15.37c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 365 07:15:16   188.442770  +4.22  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 366 07:15:55   165.172136  +4.18  -14.99c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 367 07:16:53   214.243097  +4.26  -14.55c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 368 07:17:40   460.684540  +4.53  -15.44c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 369 07:18:33    24.526934  +3.54  -15.01c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 370 07:19:44   383.419720  +4.47  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 371 07:21:14   416.145552  +4.51  -15.39c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 372 07:22:26   159.722590  +4.14  -15.41c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 07:23:17   165.928329  +4.15  -15.25c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 374 07:23:58   108.827450  +3.98  -14.95c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 375 07:25:01   131.083144  +4.05  -14.85c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 07:25:47   107.103482  +3.99  -15.55c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 377 07:26:55   141.012757  +4.09  -14.96c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 07:28:48    64.832861  +3.82  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 07:30:22    25.936110  +3.56  -14.76c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 380 07:31:05   -11.904715  +2.80  -15.00c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 07:32:12     6.648801  +3.30  -15.19c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 382 07:32:55    -8.276944  +2.94  -15.44c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 383 07:33:33    17.477593  +3.43  -14.94c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 384 07:34:39    37.183744  +3.62  -15.46c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 07:35:45   133.243862  +4.03  -15.13c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 386 07:36:52    80.324967  +3.85  -15.01c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 07:37:58  1355.464143  +4.76  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 388 07:39:42    80.295098  +3.83  -14.68c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 389 07:40:26    24.035824  +3.49  -15.28c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 07:41:10    88.535124  +3.87  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 391 07:43:13     3.709774  +3.07  -15.29c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 392 07:44:27    34.595339  +3.53  -14.92c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 393 07:46:06   129.138571  +3.99  -15.15c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 394 07:47:27     3.466795  +3.20  -14.80c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 07:48:14    29.156195  +3.53  -14.94c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 396 07:48:56   767.635351  +4.64  -15.27c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 397 07:49:43   -18.672885  +2.23  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 398 07:50:25     3.485015  +3.23  -15.44c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 07:51:10    -6.964534  +3.00  -15.50c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 400 07:51:50     2.351682  +3.20  -15.25c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 401 07:56:34    -3.958090  +3.09  -2.07    -2.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 07:57:38   663.412261  +4.59  -14.50c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 07:58:29    15.616971  +3.37  -15.29c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 07:59:34    81.849280  +3.84  -14.63c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 08:00:16   152.198137  +4.06  -15.29c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 08:01:21    56.404415  +3.72  -15.37c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 08:02:24     4.691295  +3.24  -15.30c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 08:03:28   383.711725  +4.42  -15.27c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 409 08:04:39    36.268117  +3.61  -15.36c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 410 08:05:41   331.713671  +4.37  -14.76c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 411 08:06:25    -2.547339  +3.10  -15.30c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 412 08:07:09    18.442957  +3.46  -15.28c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 413 08:07:55   -13.304989  +2.72  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 08:08:41    10.829892  +3.38  -15.50c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 415 08:09:25    13.271510  +3.42  -15.42c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 416 08:10:12    77.749391  +3.88  -15.09c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 08:11:00    12.397682  +3.42  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 418 08:11:48    -6.403583  +3.03  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 419 08:12:35    -4.268397  +3.07  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 08:13:24     4.190891  +3.27  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 08:14:29     5.124130  +3.35  -15.50c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 08:15:16    25.655938  +3.63  -15.41c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 423 08:16:03     6.740981  +3.37  -15.55c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 08:16:50    11.146865  +3.44  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 425 08:17:39     5.107278  +3.29  -15.35c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 08:18:52     8.261676  +3.37  -15.17c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 08:19:39     5.883259  +3.33  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 428 08:20:23    15.390772  +3.45  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 08:21:13     6.799191  +3.32  -15.44c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 08:22:02    -1.532869  +3.16  -15.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 08:22:49     2.128859  +3.24  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 432 08:23:35    -0.201937  +3.18  -15.41c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 08:24:19    -0.643821  +3.16  -15.20c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 434 08:25:06    68.051179  +3.87  -15.24c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 08:25:48    17.584284  +3.49  -15.05c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 08:26:32    26.188108  +3.60  -15.19c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 08:27:16     1.313960  +3.18  -15.14c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 438 08:28:00    14.822890  +3.43  -15.29c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 439 08:29:09    51.755991  +3.81  -15.59c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 08:29:52    36.034494  +3.69  -15.39c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 441 08:30:39     5.485429  +3.29  -15.25c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 442 08:31:43    44.442924  +3.76  -15.46c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 443 08:32:42    59.755677  +3.83  -14.70c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 08:33:50     5.677681  +3.33  -15.49c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 08:34:33    80.022172  +3.94  -15.22c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 446 08:35:20   158.611387  +4.17  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 447 08:36:07   235.929972  +4.33  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 448 08:36:52    68.845429  +3.87  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 449 08:37:37    16.764824  +3.49  -15.33c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 08:38:23    12.245028  +3.42  -15.44c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 08:39:09    45.007763  +3.74  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 08:40:15   264.785270  +4.34  -15.08c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 453 08:41:07    80.354769  +3.91  -14.62c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 08:41:51   307.778828  +4.39  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 455 08:43:07    97.575918  +3.96  -14.77c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 456 08:44:06    50.138459  +3.72  -14.80c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 457 08:46:38    28.238527  +3.57  -15.32c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 458 08:47:25   342.804766  +4.41  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 459 08:48:55    11.351943  +3.37  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 460 08:49:44    89.924653  +3.91  -15.46c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 08:50:30     6.825829  +3.31  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 08:51:16    15.554492  +3.43  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 463 08:52:03    -1.584249  +3.15  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 464 08:52:50    17.051966  +3.46  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 08:53:35   663.018822  +4.68  -15.15c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 466 08:54:51   666.128441  +4.70  -14.89c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 08:56:05   243.805654  +4.34  -14.54c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 08:57:15   175.836107  +4.20  -14.70c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 08:58:50    30.227892  +3.44  -15.40c   -2.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 470 09:00:50    62.950969  +3.81  -14.72c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 471 09:02:13    86.993157  +3.95  -14.94c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 09:03:28    29.566656  +3.64  -14.85c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 09:04:54   176.040976  +4.23  -14.98c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 09:05:55    18.676693  +3.54  -14.97c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 09:06:39    -7.506601  +2.93  -15.30c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 09:07:32    40.188787  +3.75  -15.22c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 477 09:08:51    32.604100  +3.68  -14.72c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 09:09:40    19.079053  +3.54  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 09:10:28    36.966117  +3.72  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 09:11:27   124.931231  +4.11  -14.97c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 481 09:12:17   467.287010  +4.60  -15.18c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 482 09:13:03    13.370913  +3.46  -15.05c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 483 09:13:49   395.563442  +4.53  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 484 09:14:31    42.485586  +3.74  -15.17c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 09:15:18    -4.193276  +3.14  -14.94c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 486 09:16:06    -9.225189  +3.01  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 487 09:16:58   276.835018  +4.41  -14.98c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 488 09:17:38   182.496026  +4.28  -15.45c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 489 09:18:25  1228.176500  +5.01  -15.42c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 09:19:12    59.164836  +3.91  -15.13c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 491 09:19:56    48.286019  +3.83  -15.14c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 09:20:47   135.277124  +4.18  -15.26c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 493 09:22:24   235.774982  +4.36  -15.09c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 494 09:23:55   562.404870  +4.67  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 495 09:25:22   389.095380  +4.53  -14.90c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 496 09:26:44    34.124771  +3.66  -14.83c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 09:27:35     8.774207  +3.38  -15.37c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 09:28:21   -13.862846  +2.64  -15.49c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 09:29:03     9.143364  +3.39  -15.62c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 500 09:30:54    17.992071  +3.50  -15.05c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 09:32:22    -4.821074  +3.06  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 09:33:07    38.896055  +3.71  -15.45c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 09:33:53    34.273849  +3.66  -14.84c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 504 09:35:06    37.065016  +3.72  -14.85c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 505 09:36:09    71.572675  +3.93  -14.75c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 506 09:36:57    53.302243  +3.82  -15.10c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 507 09:37:45     2.788458  +3.29  -15.41c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 09:38:52     2.414887  +3.30  -15.14c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 509 09:40:07     6.310326  +3.26  -15.29c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 510 09:41:24    21.991832  +3.56  -14.62c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 511 09:42:27    24.275698  +3.59  -14.65c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 512 09:43:43    47.248941  +3.79  -15.27c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 513 09:45:00    32.324749  +3.67  -14.78c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 09:45:47    88.255579  +3.99  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 515 09:46:36    24.646521  +3.60  -15.48c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 09:47:27    11.890031  +3.48  -15.10c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 517 09:48:25   116.120362  +4.10  -14.94c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 09:50:40    80.639156  +3.93  -15.35c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 09:52:04    10.168819  +3.27  -15.01c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 520 09:53:24   124.907653  +4.12  -14.74c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 521 09:54:52    22.832354  +3.55  -14.90c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 522 09:56:14    -8.181591  +2.23  -14.83c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 523 09:57:24    52.542766  +3.86  -14.73c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 524 09:58:30     2.038818  +3.31  -14.95c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 525 09:59:57   102.176261  +4.08  -14.58c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 526 10:01:01   214.728764  +4.38  -14.52c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 10:02:06    51.429356  +3.87  -14.82c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 10:03:20    80.997000  +4.02  -14.86c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 10:04:42   411.697454  +4.61  -14.71c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 10:05:46    18.456167  +3.57  -14.62c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 10:06:35   127.148360  +4.15  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 10:07:13   184.646046  +4.28  -15.24c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 10:08:46    93.923941  +4.04  -15.33c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 534 10:09:46   130.957020  +4.16  -14.72c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 535 10:10:33    23.535844  +3.60  -15.50c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 536 10:11:31    68.220852  +3.92  -14.73c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 537 10:12:29    38.499280  +3.75  -14.99c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 538 10:13:38   108.676116  +4.08  -15.04c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 10:14:39     8.094900  +3.40  -14.64c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 540 10:15:27   -17.414396  +2.20  -15.16c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 541 10:17:01   128.542193  +4.15  -15.36c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 542 10:17:49    40.206777  +3.76  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 543 10:18:29    44.635075  +3.79  -15.23c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 544 10:19:12    61.164884  +3.87  -15.17c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 545 10:20:18    58.912302  +3.86  -15.15c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 546 10:22:19   126.446699  +4.11  -15.23c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 547 10:23:50    97.990358  +4.03  -14.90c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 548 10:25:16    35.283247  +3.71  -14.73c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 549 10:26:27     9.546325  +3.44  -15.64c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 10:27:27    32.198715  +3.69  -14.83c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 551 10:28:12    75.402440  +3.93  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 552 10:28:53    33.071592  +3.68  -15.28c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 553 10:29:47    95.565899  +4.02  -14.74c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 10:31:34   134.306268  +4.10  -15.14c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 555 10:33:01    10.795639  +3.39  -14.59c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 10:34:03   -15.870106  +2.30  -15.00c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 10:35:32    81.349929  +3.98  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 10:36:19   158.560127  +4.21  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 559 10:38:24   187.423690  +4.26  -15.11c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 560 10:39:19    58.045380  +3.83  -15.28c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 10:40:54   215.068572  +4.33  -14.51c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 562 10:41:39   175.277009  +4.24  -15.47c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 10:42:25   133.771463  +4.12  -15.49c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 10:43:05    85.743157  +3.98  -15.32c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 565 10:43:50   145.574559  +4.18  -15.11c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 566 10:44:30   125.046638  +4.12  -15.29c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 10:45:12   166.809270  +4.21  -15.24c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 568 10:46:14   340.067305  +4.46  -14.63c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 10:47:01    72.797003  +3.90  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 570 10:47:47    98.478862  +4.00  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 10:49:17   681.031736  +4.69  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 10:50:35    41.007036  +3.67  -14.91c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 10:51:55    33.778075  +3.66  -14.70c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 10:52:44    28.515889  +3.62  -15.29c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 575 10:53:32    33.332414  +3.67  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 576 10:54:19     7.809908  +3.41  -14.99c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 577 10:55:06    35.758707  +3.69  -15.31c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 10:55:55   316.495275  +4.46  -15.41c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 579 10:56:40     5.235674  +3.33  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 580 10:57:30    19.878569  +3.54  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 581 10:58:16    64.650694  +3.87  -15.05c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 582 10:59:06   184.030766  +4.24  -15.25c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 10:59:56    -1.517085  +3.21  -15.35c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 584 11:00:42    40.895917  +3.72  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 11:01:31    -3.110407  +3.16  -15.38c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 11:02:19    14.313149  +3.48  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 11:03:08     3.003896  +3.30  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 11:03:58     0.284339  +3.22  -15.41c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 11:04:45    14.131803  +3.46  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 11:05:31    39.014848  +3.74  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 591 11:06:15    35.884003  +3.70  -15.17c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 592 11:06:58    65.411539  +3.90  -15.43c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 11:07:41    20.610168  +3.57  -15.34c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 594 11:08:24    23.443731  +3.58  -15.25c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 595 11:09:18  2242.179633  +5.12  -15.37c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 596 11:11:24    22.994783  +3.51  -14.86c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 597 11:12:34    73.884881  +3.93  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 598 11:13:20   121.297652  +4.11  -15.45c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 599 11:14:02    96.896003  +4.03  -15.13c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 600 11:14:46   287.025290  +4.42  -15.22c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 601 11:15:51     4.408984  +3.24  -14.88c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 602 11:16:41  1935.113105  +4.99  -15.40c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 603 11:17:44   194.107114  +4.24  -14.78c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 604 11:18:28   140.006202  +4.13  -15.41c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 605 11:19:38   147.070185  +4.15  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 606 11:21:02    -8.394400  +2.68  -14.66c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 607 11:21:43    29.573488  +3.60  -15.31c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 608 11:22:29    32.921862  +3.66  -15.14c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 11:23:09    26.330292  +3.60  -15.41c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 610 11:26:25   113.147650  +4.10  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 611 11:27:18  1207.971891  +5.06  -15.29c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 11:28:33   202.254530  +4.40  -15.06c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 613 11:29:45   208.489997  +4.41  -14.82c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 614 11:30:55   273.281545  +4.50  -15.55c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 615 11:32:42   417.797725  +4.68  -15.28c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 616 11:33:31   725.859267  +4.86  -15.18c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 617 11:34:23     5.443505  +3.34  -14.76c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 618 11:35:07    22.182346  +3.61  -15.51c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 11:36:12   206.160555  +4.37  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 620 11:37:54    44.176108  +3.81  -14.77c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 621 11:38:40    18.273740  +3.56  -15.47c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 622 11:39:49    17.244912  +3.57  -15.49c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 11:43:01   544.471079  +4.73  -15.25c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 11:44:00   673.471494  +4.81  -14.78c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 625 11:45:42    91.399810  +4.05  -14.86c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 11:46:29   246.665314  +4.49  -15.01c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 11:47:17   918.500894  +4.94  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 11:48:17   920.250871  +4.94  -14.77c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 629 11:49:03   143.263939  +4.21  -14.98c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 630 11:51:10    21.578810  +3.56  -15.39c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 631 11:52:15   401.509096  +4.59  -15.05c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 11:53:27   333.101369  +4.49  -15.29c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 633 11:54:30   201.032718  +4.30  -14.61c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 11:55:41    49.116364  +3.79  -15.43c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 635 11:56:22    -4.389710  +3.10  -15.32c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 636 11:57:02    44.019238  +3.76  -15.23c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 637 11:57:44   366.623131  +4.51  -15.23c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 638 11:58:44    34.129097  +3.65  -14.66c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 639 11:59:25    31.242326  +3.64  -15.25c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 640 12:00:31   310.652176  +4.45  -14.99c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 12:01:22   942.067749  +4.93  -15.07c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 642 12:02:18    35.263225  +3.76  -15.06c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 643 12:03:00    42.471904  +3.83  -15.12c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 12:04:33   273.446530  +4.54  -15.38c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 645 12:05:42   157.520818  +4.32  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 646 12:06:59   876.816292  +4.96  -14.76c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 12:08:45    36.589625  +3.78  -14.59c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 648 12:09:54    86.454118  +4.07  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 649 12:11:20   382.832936  +4.61  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 650 12:12:06    86.000999  +4.04  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 651 12:13:31    71.575405  +3.99  -14.70c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 12:14:53     3.462159  +3.37  -14.68c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 653 12:15:45  1161.572590  +4.99  -15.25c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 12:16:36   892.322122  +4.94  -14.94c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 655 12:17:17    74.954903  +4.01  -15.48c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 12:18:00    41.715230  +3.83  -15.35c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 12:18:46    11.821695  +3.53  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 12:19:25   223.362169  +4.40  -15.24c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 12:20:33    17.693429  +3.60  -15.58c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 12:21:20   203.845638  +4.39  -15.24c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 12:22:28   373.525830  +4.62  -15.28c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 662 12:23:29    30.021275  +3.73  -14.63c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 663 12:24:53    74.852099  +4.03  -14.79c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 664 12:25:36    36.954691  +3.83  -15.36c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 12:26:19     2.243649  +3.41  -15.27c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 666 12:27:04   220.280455  +4.47  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 667 12:27:49   673.598110  +4.89  -15.20c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 668 12:28:51   872.109968  +5.06  -14.68c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 669 12:29:58  1064.305474  +5.06  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 12:31:07    36.976622  +3.83  -14.91c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 12:32:13    50.030105  +3.93  -14.89c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 672 12:33:08    57.347922  +3.97  -14.69c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 673 12:33:53    10.936196  +3.53  -15.26c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 674 12:34:40    78.700350  +4.06  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 675 12:35:25   421.986587  +4.65  -15.41c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 676 12:36:12   425.120080  +4.63  -15.56c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 677 12:37:00  1281.529578  +4.90  -15.23c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 678 12:38:00  1727.065665  +4.86  -14.63c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 679 12:39:03   343.659922  +4.41  -14.70c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 680 12:40:19   118.637801  +4.02  -15.52c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 681 12:41:39    13.085432  +3.37  -14.71c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 12:42:29   167.164285  +4.15  -15.41c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 683 12:43:14    49.186044  +3.72  -15.43c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 684 12:44:05    27.144982  +3.55  -15.03c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 12:44:49    -3.606913  +2.93  -15.13c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 686 12:45:33     6.003834  +3.19  -15.42c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 687 12:46:17    33.353275  +3.61  -15.36c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 688 12:47:37    59.506619  +3.78  -14.42c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 12:48:24    42.617036  +3.67  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 690 12:49:32    83.220103  +3.89  -15.51c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 691 12:51:45    62.782999  +3.79  -15.53c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 692 12:52:29    33.355785  +3.59  -15.48c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 693 12:54:38    -3.487022  +3.07  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 694 12:55:27   149.607210  +4.10  -15.51c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 12:58:05   142.244330  +4.09  -15.25c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 12:59:15    37.482542  +3.63  -14.90c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 697 13:00:00   318.050154  +4.37  -14.99c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 698 13:00:39   367.189640  +4.42  -15.31c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 13:01:23    42.625386  +3.65  -15.18c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 700 13:02:08   107.730528  +3.97  -14.96c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 701 13:02:57   204.751542  +4.20  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 702 13:03:46   230.778152  +4.24  -15.27c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 13:04:40    22.867736  +3.49  -14.91c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 704 13:05:24    72.768902  +3.83  -15.28c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 705 13:06:11   190.851310  +4.20  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 706 13:06:56    -0.370510  +3.16  -15.12c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 707 13:07:41    19.493289  +3.48  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 708 13:08:49     3.389317  +3.27  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 709 13:10:16    71.342531  +3.86  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 13:11:00   160.479107  +4.19  -15.24c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 711 13:11:46    19.956701  +3.54  -15.15c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 13:12:33   113.631336  +4.08  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 713 13:13:20    39.605044  +3.74  -15.28c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 13:14:08   214.514031  +4.33  -15.39c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 715 13:14:53    -1.952010  +3.17  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 716 13:16:08    17.462887  +3.52  -15.47c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 717 13:18:00    18.340845  +3.55  -15.39c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 718 13:18:47    39.440676  +3.75  -15.45c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 719 13:19:34    14.915727  +3.51  -15.47c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 13:20:22    22.490737  +3.62  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 721 13:21:15   142.936524  +4.21  -15.27c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 722 13:22:41    98.111893  +4.06  -15.04c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 13:23:53    39.067668  +3.73  -15.18c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 724 13:24:40    18.476512  +3.55  -15.05c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 13:25:26     9.349542  +3.43  -15.48c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 726 13:26:09   273.237484  +4.43  -15.20c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 727 13:28:09    10.978774  +3.45  -15.24c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 728 13:29:47     5.421228  +3.41  -15.41c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 729 13:30:28    10.955994  +3.51  -15.32c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 730 13:31:15    15.735373  +3.58  -15.23c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 731 13:31:58   121.824299  +4.17  -15.61c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 732 13:32:50  1104.241486  +5.07  -15.43c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 733 13:33:32    28.992011  +3.79  -15.39c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 734 13:34:21    14.278118  +3.58  -15.16c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 13:35:01     8.181101  +3.53  -15.20c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 13:35:50   458.716994  +4.75  -15.31c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 13:38:05    54.450022  +3.95  -15.41c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 738 13:38:53    35.991992  +3.82  -15.35c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 13:39:55    66.710240  +3.99  -14.61c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 13:40:38   -11.040243  +2.99  -15.27c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 13:41:25   -15.441072  +2.68  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 742 13:42:08    64.635050  +4.01  -15.45c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 743 13:42:55    42.666600  +3.89  -15.45c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 744 13:43:41   188.879781  +4.45  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 745 13:44:28   192.202900  +4.42  -15.05c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 13:45:25   601.120154  +4.79  -14.69c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 13:46:35    46.704532  +3.87  -14.67c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 748 13:47:21   631.042967  +4.84  -15.35c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 749 13:48:32   271.438357  +4.48  -15.16c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 750 13:49:23   449.545725  +4.64  -14.94c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 13:50:10   187.483303  +4.28  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 13:51:19   579.952803  +4.77  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 753 13:52:20   430.746388  +4.64  -14.86c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 754 13:53:07    38.385193  +3.77  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 755 13:55:09    40.102237  +3.79  -15.45c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 756 13:56:20    84.593592  +4.02  -15.42c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 757 13:57:07   124.977499  +4.16  -14.97c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 758 13:58:09   213.176427  +4.34  -15.05c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 759 13:58:49   869.844791  +4.80  -15.40c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 760 14:01:18   891.915150  +4.82  -14.93c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 14:01:59   196.488053  +4.25  -15.01c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 14:02:41    34.216817  +3.66  -15.25c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 14:03:50   -10.949228  +2.91  -14.52c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 764 14:04:34    14.124275  +3.46  -15.12c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 765 14:06:03   250.651649  +4.34  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 14:07:18   758.484880  +4.76  -15.04c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 14:08:35   568.054437  +4.63  -15.44c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 768 14:09:23  1657.314985  +4.86  -15.39c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 769 14:10:27   139.196933  +4.07  -14.79c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 14:11:11   173.121019  +4.15  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 14:11:52     8.521507  +3.35  -15.14c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 772 14:12:38   424.555773  +4.49  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 773 14:13:48    49.541538  +3.73  -14.50c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 774 14:14:32   492.627812  +4.56  -15.45c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 14:15:17    50.265988  +3.75  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 14:16:21   349.172935  +4.41  -15.18c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 14:17:12   424.111642  +4.47  -14.82c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 778 14:18:41   224.721983  +4.24  -14.61c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 779 14:19:56    -7.249027  +2.93  -15.36c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 780 14:20:52    35.648694  +3.64  -15.37c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 781 14:22:00   156.956656  +4.13  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 782 14:23:13   124.867602  +4.06  -15.06c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 14:24:30   153.041275  +4.14  -14.67c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 14:26:01    39.015406  +3.67  -14.99c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 14:26:56   112.019914  +4.02  -15.32c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 786 14:28:02    50.690628  +3.77  -15.35c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 14:29:10     2.414145  +3.28  -15.08c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 14:29:59    -5.342582  +3.07  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 14:30:47   123.440780  +4.12  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 14:31:34    10.501388  +3.45  -15.57c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 14:32:22    -1.078628  +3.22  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 14:33:09   309.762075  +4.53  -15.01c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 793 14:33:58   236.429318  +4.41  -15.33c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 14:34:48   364.221356  +4.55  -15.42c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 14:35:55   130.357302  +4.18  -14.91c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 14:36:46    88.880321  +4.04  -15.41c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 797 14:37:57    89.618345  +4.03  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 798 14:39:50    68.900442  +3.96  -14.74c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 14:40:35   146.289477  +4.21  -15.21c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 14:42:18    43.311647  +3.69  -15.22c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 14:43:43  1378.760677  +5.04  -14.55c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 14:44:53    58.347961  +3.87  -14.61c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 14:46:05   179.379254  +4.29  -14.83c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 14:47:19    58.231790  +3.86  -14.76c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 14:48:32   186.374523  +4.30  -14.90c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 14:49:36   347.485597  +4.55  -14.47c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 14:50:29    42.720004  +3.76  -15.39c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 14:51:46    65.633377  +3.90  -14.65c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 14:53:05    52.753304  +3.84  -14.75c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 14:54:21   194.328504  +4.35  -14.86c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 14:55:39     2.774203  +3.33  -14.69c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 14:56:31    78.170400  +4.03  -14.72c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 14:57:48    17.355273  +3.59  -14.67c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 14:58:57    -2.173636  +3.24  -14.61c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 14:59:55    33.615545  +3.76  -14.78c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 15:01:04   152.039618  +4.26  -14.82c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 15:02:15   140.738071  +4.24  -14.72c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 15:03:17    36.279412  +3.75  -14.83c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 15:04:26    86.919919  +4.06  -14.77c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 15:05:28   383.574569  +4.60  -14.74c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 15:06:31    -5.614901  +3.05  -14.56c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 15:07:33   279.688180  +4.45  -14.83c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 15:08:48   410.826979  +4.58  -14.79c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 15:09:42   220.039444  +4.32  -15.15c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 15:10:55   679.105619  +4.75  -14.67c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 15:11:45   586.029025  +4.68  -15.16c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 15:12:43   222.431354  +4.33  -14.61c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 15:13:31    27.130607  +3.61  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 15:14:30    48.500286  +3.78  -14.69c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 15:15:17   190.977753  +4.27  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 15:16:06   388.360183  +4.55  -15.45c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 832 15:16:54   924.801585  +4.84  -15.25c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 833 15:17:55   109.900929  +4.04  -14.82c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 15:18:42    16.478179  +3.50  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 15:19:28   610.235527  +4.69  -15.46c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 15:20:37   737.953009  +4.76  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 15:22:02   476.052846  +4.63  -14.97c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 838 15:23:01    14.737329  +3.49  -14.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 15:23:48   482.001864  +4.63  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 15:24:31    35.687262  +3.72  -14.92c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 15:25:17   625.829100  +4.79  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 15:25:54   148.890279  +4.23  -15.41c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 15:26:38   356.506521  +4.55  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 15:27:24   518.603795  +4.75  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 15:28:21   849.491391  +4.99  -14.59c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 15:29:04   146.113125  +4.33  -15.03c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 15:30:01   210.412854  +4.47  -14.60c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 15:30:51    31.450169  +3.79  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 15:31:41   162.624209  +4.34  -15.14c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 15:32:29    69.379310  +4.04  -15.53c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 15:33:15    35.055818  +3.83  -15.15c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 15:34:07   907.979171  +5.00  -15.29c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 853 15:35:47  1073.346928  +5.06  -15.19c   -2.0000          38
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 15:37:07    76.618086  +4.06  -14.81c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 855 15:37:57    85.936356  +4.11  -15.05c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 856 15:38:44   871.953126  +4.94  -14.93c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 15:40:10   173.395643  +4.35  -14.67c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 15:41:21   444.425437  +4.76  -14.47c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 15:42:18   398.942108  +4.71  -14.83c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 15:43:16   390.310354  +4.66  -14.63c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 15:44:18   349.442392  +4.62  -14.48c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 15:45:23    89.802827  +4.09  -14.82c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 15:46:10    59.278769  +3.94  -15.53c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 15:46:57   117.725245  +4.20  -15.25c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 15:48:26   408.750402  +4.64  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 15:49:37   886.535710  +4.86  -15.55c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 15:50:48   237.669209  +4.39  -14.81c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 868 15:51:41    40.150250  +3.78  -15.16c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 869 15:52:31    21.512340  +3.62  -15.35c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 15:53:21    57.903785  +3.90  -15.53c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 15:54:06   216.641787  +4.37  -15.41c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 15:55:22     9.777090  +3.43  -15.17c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 15:56:10   244.186547  +4.39  -15.00c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 15:57:19    68.493021  +3.94  -15.27c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 15:58:05    56.397030  +3.88  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 876 15:58:52    25.259098  +3.67  -15.11c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 15:59:39    13.955543  +3.53  -15.23c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 878 16:00:26  1393.055312  +5.03  -15.11c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 16:01:18    42.692760  +3.78  -15.05c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 880 16:02:31   129.091872  +4.15  -14.76c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 881 16:03:14    67.726214  +3.96  -15.38c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 16:04:03   107.297083  +4.12  -15.62c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 16:05:38    47.707525  +3.86  -15.04c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 16:06:49   130.915914  +4.18  -15.47c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 16:07:54   870.264517  +4.86  -14.71c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 16:08:41   257.370657  +4.39  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 887 16:09:28   170.605988  +4.22  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 888 16:10:31    25.144933  +3.61  -14.47c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 889 16:11:16    36.901394  +3.71  -15.56c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 890 16:11:59   417.643740  +4.56  -15.26c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 16:12:42    57.326741  +3.83  -15.18c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 892 16:13:26    45.396913  +3.76  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 893 16:14:09   800.381331  +4.75  -15.37c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 894 16:14:50   762.499574  +4.73  -15.35c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 895 16:15:32    36.884405  +3.66  -15.09c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 896 16:16:13   756.248530  +4.75  -15.27c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 16:16:54    13.279713  +3.44  -15.33c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 898 16:17:41   436.987293  +4.57  -15.18c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 899 16:19:19   734.618918  +4.76  -15.30c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 900 16:20:35  1419.973715  +4.94  -14.53c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 16:21:39   191.754914  +4.25  -14.64c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 902 16:22:26     2.884234  +3.24  -15.17c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 903 16:23:37    16.103211  +3.48  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 904 16:24:17    -1.036638  +3.19  -15.00c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 905 16:25:01    45.098641  +3.74  -14.83c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 906 16:25:40   107.666212  +4.01  -15.39c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 907 16:26:46   175.521505  +4.19  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 908 16:27:27   286.540530  +4.37  -15.28c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 909 16:28:30   362.720492  +4.45  -14.74c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 910 16:29:14   486.436271  +4.55  -15.34c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 911 16:29:54   581.276390  +4.59  -15.40c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 16:31:07   195.853836  +4.19  -15.30c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 16:32:10    11.254232  +3.35  -14.81c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 16:32:56   936.581035  +4.73  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 915 16:33:51    48.649584  +3.71  -14.62c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 16:34:33  1176.774885  +4.79  -15.07c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 917 16:35:12    22.532188  +3.50  -15.43c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 16:36:37    -2.272722  +3.06  -15.25c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 16:37:47   171.736711  +4.14  -14.74c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 920 16:38:31  2151.763202  +4.86  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 921 16:39:42   117.480937  +4.00  -14.66c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 16:40:28   280.108856  +4.32  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 16:41:21   143.199665  +4.05  -14.69c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 924 16:42:35    46.880007  +3.67  -14.76c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 16:43:38   242.935156  +4.26  -14.89c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 926 16:44:46    72.498411  +3.83  -14.82c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 16:45:51     8.045110  +3.30  -14.65c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 928 16:46:53    53.648125  +3.73  -14.99c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 929 16:48:00    39.674887  +3.65  -14.70c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 930 16:48:45    86.803091  +3.89  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 931 16:49:32     1.658551  +3.20  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 932 16:50:16    -2.651898  +3.10  -15.10c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 933 16:51:01     3.277338  +3.22  -15.33c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 16:51:46    52.051718  +3.73  -15.53c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 935 16:52:30    53.458896  +3.74  -15.10c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 936 16:53:45    10.599775  +3.36  -15.06c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 937 16:54:46    41.999387  +3.67  -14.78c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 938 16:55:58   145.871992  +4.09  -15.44c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 939 16:56:48   423.972139  +4.47  -15.43c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 940 16:58:07  1534.893790  +4.85  -14.82c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 941 16:59:25   330.947289  +4.38  -14.53c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 17:01:57    15.835146  +3.38  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 943 17:02:47    29.683431  +3.56  -15.23c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 944 17:03:55    79.528459  +3.86  -14.90c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 945 17:04:40   314.176078  +4.35  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 946 17:05:26    66.603030  +3.80  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 947 17:06:35    46.599131  +3.70  -15.18c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 948 17:08:03    24.561020  +3.53  -14.63c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 17:09:32   148.573655  +4.08  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 17:10:20   370.217019  +4.40  -14.97c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 951 17:11:36  1322.211761  +4.79  -15.38c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 952 17:12:44   507.535037  +4.51  -14.88c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 953 17:13:32   113.186521  +3.97  -14.90c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 954 17:15:29    -0.815387  +3.11  -15.41c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 955 17:18:01    29.686087  +3.52  -15.09c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 956 17:18:50    24.529998  +3.50  -15.33c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 17:19:50    55.921654  +3.73  -14.81c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 958 17:20:40   364.494392  +4.38  -15.39c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 17:22:07   158.011776  +4.08  -14.79c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 960 17:23:10     0.643939  +3.14  -14.84c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 961 17:23:56   196.331725  +4.16  -15.32c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 17:24:50   690.413895  +4.60  -14.64c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 963 17:26:23   396.868072  +4.43  -14.82c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 964 17:27:29   120.898181  +3.99  -14.79c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 965 17:28:41   556.405827  +4.56  -15.51c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 966 17:29:30   217.400402  +4.23  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 967 17:30:34    14.309838  +3.41  -14.73c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 968 17:31:21    93.077557  +3.92  -15.23c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 969 17:32:09    64.417473  +3.79  -15.57c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 970 17:32:56    45.747873  +3.69  -15.60c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 971 17:34:39    59.202611  +3.74  -15.53c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 972 17:36:13    31.315909  +3.57  -15.19c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 17:37:24    60.250703  +3.77  -15.33c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 17:38:32     9.129178  +3.36  -15.35c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 975 17:39:39    17.741697  +3.48  -15.11c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 976 17:40:43   166.286378  +4.16  -15.58c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 977 17:41:33   221.157220  +4.26  -15.67c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 17:42:37    11.981909  +3.42  -15.32c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 979 17:43:42   279.978838  +4.38  -14.81c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 980 17:44:38    34.233263  +3.63  -14.87c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 981 17:45:24   305.736482  +4.37  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 982 17:46:08    63.205988  +3.80  -15.06c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 983 17:47:08    25.199602  +3.53  -14.57c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 984 17:47:53    87.077716  +3.88  -15.17c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 985 17:48:56   284.198755  +4.31  -15.20c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 17:50:06   335.758872  +4.37  -14.94c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 17:51:11    61.553878  +3.75  -14.80c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 988 17:51:55   253.500536  +4.27  -15.44c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 17:52:38    -2.361773  +3.12  -15.05c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 990 17:53:21   134.370044  +4.05  -15.19c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 991 17:54:08     2.783061  +3.20  -15.07c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 17:54:54    44.845131  +3.66  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 17:55:38   676.999709  +4.61  -15.40c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 994 17:56:27   247.735144  +4.25  -15.42c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 995 17:57:28    49.626184  +3.68  -14.81c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 996 17:58:11    82.418600  +3.84  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 997 17:59:17    30.876724  +3.55  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 18:02:33   336.027561  +4.35  -15.33c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 18:03:26    62.228015  +3.74  -15.41c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 18:04:12    35.267106  +3.58  -15.29c   -2.0000          14
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


