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

User:   aes38@compute-35
Date:   Sat Sep 30 00:48:53 2023
Arch:   x86_64
Pid:    1154017
CWD:    /users/home/aes38/Rydberg/new/ethylene/Csic/seventhext
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: 183.83 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. 0. 0.]],
                update_numbers: True,
                use_fixed_occupations: False,
                use_projections: True}

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

Initialize ...

species:
  C:
    name: Carbon
    id: 4aa54d4b901d75f77cc0ea3eec22967b
    Z: 6.0
    valence: 4
    core: 2
    charge: 0.0
    file: /users/home/share/gpaw-setups-0.9.20000/C.PBE.gz
    compensation charges: {type: gauss,
                           rc: 0.20,
                           lmax: 2}
    cutoffs: {filter: 1.14,
              core: 1.14}
    valence states:
      #              energy  rcut
      - 2s(2.00)   -13.751   0.635
      - 2p(2.00)    -5.284   0.635
      -  s          13.461   0.635
      -  p          21.927   0.635
      -  d           0.000   0.635
  
    # LCAO basis set for C:
    #   Name: aug-cc-pVDZ_PBE.sz
    #   File: /users/home/aes38/basissets/C.aug-cc-pVDZ_PBE.sz.basis
    #   Number of radial functions: 8
    #   Number of spherical harmonics: 22
    #     l=0, rc=5.5938 Bohr: 2s-sz confined orbital
    #     l=1, rc=6.8750 Bohr: 2p-sz confined orbital
    #     l=0, rc=7.5625 Bohr: NGTO(s,0.1596000)
    #     l=0, rc=13.1094 Bohr: NGTO(s,0.0469000)
    #     l=1, rc=7.7344 Bohr: NGTO(p,0.1517000)
    #     l=1, rc=13.9531 Bohr: NGTO(p,0.0404100)
    #     l=2, rc=4.4688 Bohr: NGTO(d,0.5500000)
    #     l=2, rc=8.0469 Bohr: NGTO(d,0.1510000)
    #   Number of RI-basis functions 0

  H:
    name: Hydrogen
    id: d65de229564ff8ea4db303e23b6d1ecf
    Z: 1.0
    valence: 1
    core: 0
    charge: 0.0
    file: /users/home/share/gpaw-setups-0.9.20000/H.PBE.gz
    compensation charges: {type: gauss,
                           rc: 0.15,
                           lmax: 2}
    cutoffs: {filter: 0.85,
              core: 0.53}
    valence states:
      #              energy  rcut
      - 1s(1.00)    -6.494   0.476
      -  s          20.717   0.476
      -  p           0.000   0.476
  
    # LCAO basis set for H:
    #   Name: aug-cc-pVDZ_PBE.sz
    #   File: /users/home/aes38/basissets/H.aug-cc-pVDZ_PBE.sz.basis
    #   Number of radial functions: 5
    #   Number of spherical harmonics: 9
    #     l=0, rc=6.6406 Bohr: 1s-sz confined orbital
    #     l=0, rc=8.5469 Bohr: NGTO(s,0.1220000)
    #     l=0, rc=16.0469 Bohr: NGTO(s,0.0297400)
    #     l=1, rc=3.7969 Bohr: NGTO(p,0.7270000)
    #     l=1, rc=7.9844 Bohr: NGTO(p,0.1410000)
    #   Number of RI-basis functions 0

Reference energy: -2105.216880  # eV

Spin-polarized calculation.
Magnetic moment: 0.000000

Convergence criteria:
 Maximum [total energy] change in last 3 cyles: 0.0005 eV / valence electron
 Maximum integral of absolute [dens]ity change: 0.0001 electrons / valence electron
 Maximum integral of absolute [eigenst]ate change: 1e-06 eV^2 / valence electron
 Maximum number of scf [iter]ations: 1000
 (Square brackets indicate name in SCF output, whereas a 'c' in
 the SCF output indicates the quantity has converged.)

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

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

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 273.17 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 00:57:40   -19.843683  +0.30  -2.16    +0.0000         119
iter:   2 01:01:10   -20.966725  +2.00  -1.92    +0.0000         105
MOM has detected variational collapse, occupied orbitals have changed
iter:   3 01:03:46   -20.919781  -0.10  -14.81c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:   4 01:04:55   -22.195631  -0.06  -15.44c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:   5 01:05:35   -20.422970  -0.78  -15.44c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:   6 01:06:33   -20.860880  -0.80  -15.17c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:   7 01:07:35   -21.427769  -0.54  -15.12c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:   8 01:08:16   -20.413726  -1.18  -15.22c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:   9 01:09:59   -20.355534  -1.14  -15.30c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  10 01:10:39   -21.026721  -0.87  -15.49c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  11 01:11:21   -21.234984  -0.78  -15.27c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  12 01:12:42   -21.411709  -0.52  -15.33c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  13 01:14:06   -20.677046  -0.97  -15.18c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  14 01:15:06   -20.581673  -0.97  -15.06c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  15 01:16:08   -20.983569  -0.67  -15.40c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  16 01:16:47   -20.315587  -0.22  -15.24c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  17 01:20:18   -20.481685  -0.79  -15.12c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  18 01:21:23   -20.433415  -0.93  -15.28c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  19 01:25:17   -20.668145  -0.47  -15.21c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  20 01:26:18   -21.985143  -0.22  -15.45c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  21 01:26:58   -21.863021  -0.59  -14.96c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  22 01:28:02   -21.446181  -0.63  -15.43c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  23 01:29:04   -22.435133  -0.30  -15.38c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  24 01:30:08   -21.027070  -0.44  -15.41c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  25 01:30:47   -21.945833  -0.26  -15.43c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  26 01:31:24   -23.362711  -0.04  -14.99c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  27 01:34:55   -21.753153  -0.41  -15.16c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  28 01:35:35   -22.171962  -0.41  -15.22c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  29 01:36:16   -21.513297  -0.18  -15.11c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  30 01:36:59   -21.284690  -0.65  -15.44c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  31 01:37:37   -21.627470  -0.50  -15.34c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  32 01:38:15   -21.981545  -0.24  -15.25c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  33 01:38:58   -22.019598  -0.35  -15.49c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  34 01:39:41   -22.772363  -0.16  -15.26c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  35 01:40:21   -21.102802  +0.02  -15.29c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  36 01:40:59   -20.866588  -0.34  -15.03c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  37 01:42:02   -21.316756  -0.66  -15.04c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  38 01:43:03   -20.925419  -0.63  -15.28c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  39 01:44:04   -20.769113  -0.78  -15.45c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  40 01:47:13   -20.497761  -0.59  -15.05c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  41 01:47:55   -20.622719  -0.72  -15.40c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  42 01:48:36   -21.609738  -0.47  -15.41c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  43 01:49:14   -20.435291  -0.59  -15.46c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  44 01:50:17   -21.729991  -0.25  -15.28c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  45 01:50:58   -23.375795  +0.14  -15.01c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  46 01:51:40   -21.760972  -0.26  -15.60c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  47 01:52:21   -21.038533  -0.09  -15.38c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  48 01:53:19   -21.824660  -0.13  -15.46c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  49 01:54:20   -21.747214  -0.30  -15.43c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  50 01:55:02   -21.508128  -0.21  -15.27c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  51 01:59:34   -20.732015  -1.30  -2.00    -0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter:  52 02:00:46   -20.640844  -0.37  -14.63c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  53 02:02:12   -22.625623  -0.22  -15.45c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  54 02:02:48   -22.914076  +0.03  -15.26c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  55 02:03:26   -21.601272  -0.03  -15.03c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  56 02:04:12   -22.200214  +0.32  -15.07c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  57 02:04:55   -21.911505  +0.17  -15.49c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  58 02:05:31   -21.322622  +0.19  -15.20c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  59 02:06:33   -21.398074  +0.30  -15.20c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  60 02:07:11   -21.213333  +0.47  -15.27c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  61 02:07:52   -21.220419  +0.16  -15.06c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  62 02:08:55   -21.316457  -0.16  -15.29c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  63 02:09:34   -21.632859  -0.17  -15.25c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  64 02:10:37   -22.376039  +0.18  -15.48c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  65 02:11:21   -21.364712  +0.61  -15.25c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  66 02:12:31   -22.490782  +0.69  -15.21c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  67 02:13:11   -22.492141  +0.75  -15.25c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  68 02:13:50   -22.009641  +0.78  -15.31c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  69 02:14:29   -20.788329  +0.42  -15.07c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  70 02:15:09   -20.719964  +0.85  -15.30c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  71 02:16:33   -20.861771  +1.04  -15.18c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  72 02:17:20   -20.268686  +0.82  -15.49c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  73 02:23:51   -20.317391  -0.03  -1.96    -0.0000          87
MOM has detected variational collapse, occupied orbitals have changed
iter:  74 02:25:35   -21.273923  +0.78  -14.86c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  75 02:32:01   -20.198258  -0.42  -2.05    +0.0000          86
MOM has detected variational collapse, occupied orbitals have changed
iter:  76 02:34:05   -20.207872  +0.91  -14.36c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  77 02:36:17   -21.293717  +1.47  -14.97c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  78 02:36:58   -19.689030  +1.82  -15.09c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  79 02:43:24   -19.882316  +0.86  -1.90    +0.0000          83
MOM has detected variational collapse, occupied orbitals have changed
iter:  80 02:44:52   -21.978983  +1.09  -15.07c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  81 02:45:38   -22.038635  +0.58  -14.88c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  82 02:46:42   -21.451691  +1.28  -14.92c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  83 02:47:27   -21.790889  +1.53  -15.40c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  84 02:48:29   -23.671274  +1.67  -15.51c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  85 02:49:11   -22.091811  +1.07  -15.18c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  86 02:49:49   -20.696904  +1.13  -15.38c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  87 02:50:29   -20.418843  +1.67  -15.14c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  88 02:51:29   -20.101426  +2.03  -15.35c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  89 02:52:03   -20.502341  +1.37  -15.32c   -0.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter:  90 02:53:02   -19.836613  +2.13  -15.00c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  91 02:53:44   -20.043963  +2.29  -15.29c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  92 02:55:06   -21.619451  +1.88  -15.22c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  93 02:56:06   -21.907171  +1.85  -15.44c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter:  94 02:56:44   -21.579811  +1.44  -15.20c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  95 02:57:25   -21.823925  +0.45  -15.22c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  96 02:58:05   -21.305722  +1.59  -15.27c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  97 02:59:10   -21.032560  +1.64  -15.46c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  98 03:00:15   -20.364074  +1.75  -15.32c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  99 03:00:55   -20.532822  +1.20  -15.41c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 100 03:05:31   -20.261425  +0.03  -1.96    -0.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 101 03:06:21   -20.665292  +1.67  -14.95c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 102 03:07:21   -19.389109  +2.38  -15.56c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 103 03:08:26   -20.794916  +1.92  -15.17c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 104 03:09:06   -20.184519  +1.85  -15.39c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 105 03:09:46   -20.832154  +1.91  -15.42c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 106 03:11:50   -19.825433  +2.23  -15.54c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 107 03:12:31   -18.889910  +2.51  -15.27c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 108 03:13:12   -13.660739  +3.25  -15.45c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 109 03:15:49   -16.931924  +2.76  -5.73c   -0.0000          34
iter: 110 03:16:51   -17.553703  +2.71  -5.18c   -0.0000          31
iter: 111 03:18:01   -20.391874  +1.27  -2.30    -0.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 03:18:54   -21.233205  +2.12  -14.75c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 113 03:20:03   -25.239274  +2.19  -15.54c   +0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 114 03:21:03   -19.707569  +2.28  -15.18c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 03:21:43   -19.353714  +2.66  -15.33c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 03:23:52   -19.399262  +2.03  -1.95    -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 117 03:26:24   -19.573861  +2.14  -14.80c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 118 03:27:02   -21.087836  +1.95  -15.30c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 03:27:46   -20.445112  +2.08  -15.56c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 03:28:25   -20.352122  +2.07  -15.21c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 121 03:29:09   -20.630819  +2.42  -15.11c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 122 03:29:48   -19.446112  +2.53  -15.39c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 03:35:05   -19.584241  +1.78  -1.95    -0.0000         104
iter: 124 03:36:48   -19.250073  +1.85  -2.15    +0.0000          51
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 03:37:47   -21.419219  +2.02  -14.98c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 03:38:29   -21.423677  +1.38  -15.16c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 03:39:10   -19.649905  +2.42  -15.37c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 128 03:39:50   -17.962581  +2.91  -15.22c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 129 03:40:52   -15.466406  +3.16  -15.32c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 130 03:43:49   -16.518241  +2.62  -6.29c   +0.0000          36
iter: 131 03:44:56   -16.893004  +2.65  -5.90c   +0.0000          33
iter: 132 03:45:23   -21.146620  +0.86  -1.98    -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 133 03:46:37   -21.357959  +1.28  -14.85c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 134 03:47:15   -21.044440  +1.68  -15.21c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 135 03:47:56   -20.980592  +1.61  -15.29c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 136 03:48:56   -20.908487  +1.66  -15.26c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 137 03:49:56   -21.386111  +1.95  -15.18c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 138 03:50:39   -21.628908  +2.08  -15.41c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 139 03:51:19   -19.655873  +2.46  -15.27c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 140 03:53:38   -19.656375  +1.75  -1.99    -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 141 03:54:30   -21.188454  +1.95  -14.67c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 142 03:55:07   -19.795750  +2.45  -14.98c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 143 03:56:08   -20.111334  +2.98  -15.47c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 144 04:00:25   -20.415488  +1.50  -1.89    +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 145 04:01:33   -20.214328  +2.12  -14.70c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 146 04:02:43   -20.718093  +2.11  -15.41c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 147 04:03:22   -19.505232  +2.54  -15.02c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 148 04:04:03   -20.025803  +2.63  -15.16c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 149 04:04:40   -19.046704  +2.71  -15.32c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 150 04:05:17   -12.268671  +3.35  -14.98c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 151 04:05:55     8.349455  +3.86  -15.00c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 152 04:06:57    77.957379  +4.37  -15.27c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 153 04:07:50    70.629289  +4.34  -14.52c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 154 04:08:39    94.762955  +4.42  -15.51c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 155 04:09:34   192.829493  +4.68  -14.96c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 156 04:11:02    22.335269  +3.99  -15.21c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 157 04:12:41     4.748165  +3.75  -15.01c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 158 04:14:53    -9.951843  +3.33  -14.95c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 159 04:15:38   -13.018217  +3.13  -15.60c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 160 04:16:28    -8.849948  +3.30  -15.24c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 161 04:17:13   -15.129262  +3.02  -15.37c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 162 04:18:09    -8.379455  +3.39  -14.86c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 163 04:19:09   -14.797766  +3.30  -15.18c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 164 04:20:05   -14.942410  +3.10  -14.87c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 165 04:20:53   -14.859468  +3.14  -15.33c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 166 04:21:35    -9.578649  +3.37  -15.09c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 167 04:22:39   -13.793076  +3.18  -15.18c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 04:23:53    -3.264451  +3.60  -14.88c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 169 04:25:18    19.607492  +3.95  -15.13c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 170 04:26:29    46.166331  +4.18  -15.28c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 171 04:27:30    13.461278  +3.89  -14.62c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 172 04:29:00    54.191426  +4.20  -14.91c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 173 04:30:24    -9.374421  +3.36  -14.92c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 174 04:31:38    48.829260  +4.16  -14.73c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 175 04:32:21   197.692513  +4.64  -15.29c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 176 04:33:18    34.885803  +4.03  -14.70c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 177 04:34:28    31.858934  +4.00  -15.47c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 178 04:35:22    25.344921  +3.96  -15.46c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 179 04:36:24    58.668374  +4.18  -14.52c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 180 04:38:03   224.274045  +4.64  -15.39c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 181 04:40:31    71.885953  +4.21  -14.61c   +0.0000          71
MOM has detected variational collapse, occupied orbitals have changed
iter: 182 04:41:35   429.090542  +4.91  -14.83c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 183 04:42:35   147.622446  +4.47  -15.42c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 184 04:43:40    32.374207  +3.94  -14.80c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 185 04:44:50   623.900109  +5.04  -14.87c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 186 04:45:36   373.702688  +4.79  -15.06c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 187 04:46:44   761.997479  +5.09  -15.18c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 188 04:47:28   488.171323  +4.88  -15.08c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 189 04:48:45   725.519065  +5.01  -15.01c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 190 04:49:42   165.184504  +4.44  -14.67c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 191 04:50:24   251.491281  +4.64  -15.36c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 192 04:51:22   246.575462  +4.61  -14.84c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 193 04:52:34    47.044160  +4.00  -15.01c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 194 04:53:37   116.836733  +4.29  -14.72c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 195 04:54:43    52.845678  +4.01  -14.90c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 196 04:55:32    44.903661  +3.97  -15.03c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 197 04:57:47   548.473613  +4.87  -14.80c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 198 04:59:17   460.897517  +4.76  -14.60c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 199 05:00:45   245.447629  +4.53  -14.74c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 200 05:02:25   326.558959  +4.63  -14.88c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 201 05:03:42   221.036231  +4.49  -14.95c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 202 05:04:42   749.048971  +4.92  -14.92c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 203 05:06:16    32.882256  +3.73  -14.71c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 204 05:07:14    77.851185  +4.03  -15.32c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 205 05:08:25   585.451740  +4.81  -15.06c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 206 05:09:18    12.040158  +3.36  -15.36c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 207 05:10:11   333.690538  +4.60  -15.67c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 208 05:12:03    95.909139  +4.13  -14.48c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 209 05:12:47    46.908568  +3.86  -15.29c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 210 05:13:55    56.388810  +3.93  -14.75c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 211 05:15:27   213.631603  +4.43  -14.69c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 212 05:16:31    24.673091  +3.67  -14.60c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 213 05:17:42   497.334020  +4.74  -15.09c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 214 05:18:35   134.945867  +4.22  -15.15c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 215 05:20:07    23.305202  +3.63  -14.75c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 216 05:20:59    62.972440  +3.96  -15.28c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 217 05:21:47   270.707651  +4.54  -15.43c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 218 05:23:07    26.810188  +3.72  -15.30c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 219 05:24:20    51.802070  +3.92  -14.64c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 220 05:25:31    76.045142  +4.07  -14.93c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 221 05:26:41    -3.784928  +3.09  -14.78c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 222 05:27:51    62.837341  +3.98  -14.76c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 223 05:29:29   279.135231  +4.54  -14.86c   +0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 224 05:30:35    40.187978  +3.81  -14.88c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 225 05:31:25    17.598531  +3.53  -15.20c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 226 05:32:39   810.430444  +4.94  -15.25c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 227 05:34:09   117.255521  +4.17  -14.86c   +0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 228 05:35:38    82.963748  +4.03  -14.80c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 229 05:36:54    79.666545  +3.99  -15.25c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 230 05:37:43   138.640353  +4.22  -15.45c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 231 05:38:39   260.025095  +4.46  -15.21c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 232 05:39:55  1292.402025  +4.99  -14.82c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 233 05:40:41   334.242055  +4.50  -15.18c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 234 05:41:29    48.529222  +3.77  -15.35c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 235 05:42:13   544.942911  +4.71  -14.96c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 236 05:43:18  2062.530317  +4.98  -15.40c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 237 05:44:34  1045.689885  +4.89  -14.54c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 238 05:45:22   660.875571  +4.77  -15.39c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 239 05:46:33  1116.229314  +5.01  -14.90c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 240 05:47:33   586.344454  +4.76  -15.37c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 241 05:49:02   573.954679  +4.80  -14.79c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 242 05:50:52    62.664685  +3.95  -14.75c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 243 05:52:05   287.714437  +4.53  -15.21c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 244 05:53:03    98.582088  +4.11  -14.65c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 245 05:54:50    13.950831  +3.49  -14.93c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 246 05:55:38    49.609066  +3.85  -15.41c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 247 05:56:47    27.281155  +3.71  -14.67c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 248 05:57:42   619.065010  +4.77  -14.66c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 249 05:58:52    46.701015  +3.82  -14.71c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 250 06:00:00  1356.768340  +5.00  -15.02c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 251 06:01:05    65.130783  +3.93  -15.08c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 06:02:12    59.883599  +3.88  -14.89c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 253 06:03:14    60.827008  +3.90  -14.77c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 254 06:04:18    -3.135814  +3.16  -14.62c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 06:05:17   106.731045  +4.10  -15.42c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 256 06:06:18    14.540525  +3.49  -14.68c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 257 06:07:05   116.447908  +4.13  -15.28c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 258 06:08:12    50.241851  +3.85  -14.68c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 06:09:41    39.310644  +3.69  -14.76c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 260 06:11:23   346.790477  +4.54  -14.52c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 261 06:12:49   114.906901  +4.13  -14.35c   +0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 06:14:04  1266.329785  +4.98  -14.89c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 263 06:15:07   185.350854  +4.29  -14.61c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 264 06:15:59   236.426713  +4.39  -15.18c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 265 06:17:18   106.876505  +4.10  -14.57c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 266 06:18:21   460.531198  +4.64  -14.81c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 267 06:19:47    31.674447  +3.63  -14.62c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 268 06:20:32   150.159038  +4.18  -15.14c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 269 06:22:03     6.557350  +3.24  -15.27c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 270 06:23:09    25.567249  +3.54  -14.54c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 271 06:23:57   137.469881  +4.19  -15.26c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 272 06:24:46   184.340399  +4.33  -15.41c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 273 06:25:38    19.920277  +3.50  -15.12c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 274 06:27:04    46.702400  +3.85  -14.69c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 275 06:28:43    36.159475  +3.73  -15.01c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 276 06:29:49    28.320449  +3.67  -15.22c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 277 06:30:50    24.739796  +3.67  -14.92c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 278 06:32:27   298.630793  +4.51  -15.37c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 279 06:33:23   566.156413  +4.77  -15.10c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 280 06:34:49    94.922578  +4.06  -15.01c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 281 06:35:53   868.217250  +4.91  -15.30c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 282 06:36:57   175.741272  +4.30  -15.05c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 283 06:38:21    68.563812  +3.93  -14.78c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 06:40:15    65.129157  +3.91  -15.35c   -0.0000          45
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 06:41:03    79.467374  +4.03  -15.39c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 06:42:32  1129.487661  +5.03  -15.24c   -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 287 06:43:49   -14.479724  +2.33  -14.77c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 06:44:46    16.708907  +3.57  -15.38c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 289 06:45:32   217.818248  +4.44  -15.05c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 290 06:46:23    22.640549  +3.65  -14.56c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 291 06:47:42   152.238476  +4.29  -15.33c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 292 06:48:41    35.259543  +3.78  -14.73c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 293 06:49:45   207.044822  +4.38  -14.70c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 294 06:51:11   127.673095  +4.20  -14.47c   -0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 06:52:37    51.984666  +3.86  -14.64c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 06:53:39   167.572445  +4.26  -14.30c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 297 06:54:25   178.966496  +4.29  -15.23c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 06:55:35   376.954164  +4.57  -15.07c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 06:56:20    97.822883  +4.06  -15.34c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 06:57:46   214.882614  +4.35  -14.72c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 06:58:49   226.527043  +4.38  -14.89c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 06:59:44   140.130923  +4.20  -14.66c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 303 07:00:50   334.819918  +4.52  -15.24c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 07:01:50   124.391043  +4.13  -14.77c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 07:02:41    40.406904  +3.76  -15.20c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 07:03:26   338.457360  +4.49  -15.13c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 307 07:04:23  1619.853751  +4.96  -15.26c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 308 07:05:28   258.949853  +4.36  -14.67c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 309 07:06:12    21.579402  +3.51  -15.35c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 310 07:07:27    32.377246  +3.65  -15.24c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 311 07:08:35     5.955386  +3.30  -14.75c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 07:09:20    19.874839  +3.49  -15.35c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 313 07:10:54     7.093217  +3.36  -15.22c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 314 07:11:50    17.479218  +3.54  -15.23c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 315 07:12:48     2.599915  +3.19  -14.50c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 316 07:14:39    67.766715  +3.87  -15.03c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 07:15:44    66.817878  +3.87  -15.03c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 318 07:16:47   100.407616  +4.02  -14.65c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 319 07:17:36    24.322983  +3.58  -15.22c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 320 07:19:00    91.033115  +3.99  -14.81c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 321 07:19:52    11.878531  +3.48  -15.04c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 322 07:20:48   127.684947  +4.13  -14.86c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 323 07:21:30    62.114693  +3.89  -15.16c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 324 07:22:18   443.303157  +4.59  -15.46c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 325 07:23:26   234.392857  +4.33  -15.20c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 326 07:24:53   209.930625  +4.31  -14.76c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 327 07:25:57   375.484981  +4.52  -14.64c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 328 07:26:46   146.143003  +4.16  -15.25c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 329 07:27:32    63.189984  +3.85  -15.46c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 330 07:28:17    88.702436  +3.95  -15.07c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 331 07:29:37    57.924540  +3.80  -15.26c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 07:30:25    48.293285  +3.76  -15.25c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 333 07:31:19    26.638576  +3.52  -15.47c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 334 07:32:37   109.816083  +4.05  -15.20c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 335 07:33:42   321.001279  +4.43  -14.91c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 07:34:44     2.750416  +3.15  -14.59c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 337 07:35:55   240.361373  +4.32  -14.65c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 338 07:36:45    36.318783  +3.67  -15.28c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 07:37:49    -4.205432  +3.07  -15.38c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 340 07:38:51   -11.657734  +2.60  -14.92c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 341 07:39:52    31.103633  +3.64  -14.93c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 342 07:40:57     5.794212  +3.30  -14.71c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 343 07:42:08     1.131439  +3.22  -14.73c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 344 07:43:11    48.760769  +3.78  -15.41c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 345 07:46:46    33.628945  +3.63  -15.27c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 346 07:47:58    46.483435  +3.73  -15.15c   +0.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 347 07:49:20    -1.309263  +3.19  -14.53c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 07:50:19    -5.049538  +3.16  -14.82c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 349 07:51:21    72.337929  +3.94  -15.17c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 07:52:06    48.366504  +3.82  -15.24c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 07:53:23    95.154502  +4.02  -14.58c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 07:54:42    44.455288  +3.78  -14.99c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 353 07:56:14    -1.873659  +3.18  -14.95c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 07:56:59    31.923735  +3.65  -15.27c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 355 07:57:45   127.735905  +4.12  -15.20c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 356 07:58:55   323.169371  +4.46  -15.25c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 357 08:00:12   263.732070  +4.38  -15.48c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 08:01:00    57.342264  +3.80  -15.51c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 08:01:48  1294.316338  +4.89  -15.35c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 08:03:11    16.043567  +3.46  -14.82c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 361 08:04:00   154.312216  +4.15  -15.06c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 08:04:55     1.305461  +3.29  -15.58c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 363 08:05:39    49.703092  +3.76  -15.29c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 364 08:06:22    14.821561  +3.45  -15.49c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 365 08:08:30    -9.010175  +3.08  -15.16c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 366 08:09:32    28.851394  +3.63  -14.94c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 367 08:10:17    27.670409  +3.62  -15.35c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 368 08:10:59   274.810212  +4.39  -15.29c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 369 08:11:40  1736.867638  +4.89  -15.09c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 370 08:12:19     5.036603  +3.34  -15.18c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 371 08:13:42    36.444683  +3.66  -15.29c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 372 08:14:27    53.282773  +3.76  -15.37c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 08:15:07    68.392267  +3.84  -15.34c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 374 08:15:46    46.641886  +3.72  -15.06c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 375 08:16:28     9.638108  +3.38  -15.12c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 08:17:08    21.827263  +3.51  -15.09c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 377 08:17:48   -10.190491  +2.96  -15.38c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 08:18:34   178.558463  +4.17  -15.46c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 08:19:14     7.980520  +3.35  -15.34c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 380 08:19:54    12.914124  +3.43  -15.22c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 08:20:55   236.498447  +4.26  -15.12c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 382 08:21:40   217.977327  +4.23  -15.51c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 383 08:22:20   148.094797  +4.08  -15.06c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 384 08:22:58   162.123903  +4.11  -15.47c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 08:23:41   184.876732  +4.15  -14.82c   -0.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter: 386 08:24:21   403.152991  +4.44  -15.37c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 08:24:59  1397.163689  +4.81  -15.51c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 388 08:25:37   265.094815  +4.29  -15.35c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 389 08:26:42    95.919092  +3.92  -14.96c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 08:28:51    68.919397  +3.77  -15.41c   -0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 391 08:30:13    56.303561  +3.71  -15.23c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 392 08:31:21   570.712735  +4.56  -15.44c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 393 08:32:08   106.007773  +3.94  -15.46c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 394 08:32:47    46.478856  +3.68  -15.32c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 08:33:29   568.436654  +4.56  -15.18c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 396 08:34:09   298.313596  +4.32  -15.21c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 397 08:34:51   816.637488  +4.67  -15.35c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 398 08:35:32   133.931562  +4.02  -15.06c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 08:36:13     8.233340  +3.30  -15.01c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 400 08:37:13   164.661631  +4.11  -15.32c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 401 08:37:57    55.081440  +3.74  -15.54c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 08:38:40    87.416875  +3.88  -15.21c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 08:40:14     7.778338  +3.28  -15.41c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 08:41:22   -13.664838  +2.78  -14.98c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 08:42:04    61.790612  +3.78  -15.30c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 08:42:49    44.117015  +3.67  -15.03c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 08:46:07    42.086371  +3.63  -14.76c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 08:47:16   116.691195  +3.99  -15.40c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 409 08:48:07    38.940377  +3.64  -14.76c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 410 08:48:49  1726.302404  +4.84  -15.24c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 411 08:49:36   174.594782  +4.15  -15.31c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 412 08:50:18    45.344377  +3.68  -15.35c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 413 08:51:35    21.349450  +3.55  -15.18c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 08:52:38   827.493605  +4.69  -15.25c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 415 08:53:29    24.944875  +3.53  -14.73c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 416 08:54:09  1219.256355  +4.77  -15.35c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 08:54:51   556.311153  +4.56  -14.86c   -0.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter: 418 08:55:35    67.497129  +3.79  -15.36c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 419 08:56:29   313.291029  +4.35  -14.98c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 08:57:08   173.044304  +4.13  -15.54c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 08:58:44     0.061461  +3.00  -15.33c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 08:59:51   374.493858  +4.42  -14.77c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 423 09:00:48    11.580914  +3.33  -14.67c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 09:01:25   122.303831  +4.00  -14.95c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 425 09:03:17   163.630450  +4.11  -15.33c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 09:04:10    71.244126  +3.82  -15.01c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 09:04:53   159.862665  +4.11  -15.46c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 428 09:06:22    66.900024  +3.81  -15.26c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 09:07:07   448.357898  +4.49  -15.47c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 09:07:53    48.900620  +3.72  -15.06c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 09:08:32   632.734649  +4.62  -15.13c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 432 09:09:16  1415.074872  +4.80  -15.28c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 09:10:07  1145.580801  +4.79  -14.75c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 434 09:11:30   127.764985  +4.03  -14.98c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 09:12:32    10.286207  +3.35  -14.66c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 09:13:12    35.402936  +3.62  -15.16c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 09:13:51    43.493484  +3.68  -15.15c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 438 09:14:28    13.364659  +3.42  -15.05c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 439 09:15:56    55.899220  +3.76  -15.11c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 09:16:51    71.289224  +3.84  -14.64c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 441 09:17:43    -0.265976  +3.19  -14.83c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 442 09:19:31   146.709574  +4.07  -15.35c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 443 09:20:15    94.685615  +3.91  -15.12c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 09:22:50    89.647536  +3.86  -15.29c   +0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 09:24:58    18.500333  +3.36  -14.89c   +0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 446 09:26:09   214.796831  +4.21  -14.68c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 447 09:27:04   214.502453  +4.20  -15.18c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 448 09:28:24    15.004278  +3.27  -14.97c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 449 09:29:56   149.888273  +4.10  -15.02c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 09:31:01    26.545343  +3.53  -15.38c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 09:31:52     6.690367  +3.22  -15.55c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 09:33:09   -10.198266  +2.85  -14.65c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 453 09:34:17    89.966377  +3.92  -14.70c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 09:35:29     9.798273  +3.29  -14.71c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 455 09:36:52   -12.535518  +2.54  -14.67c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 456 09:38:07     3.744289  +3.24  -14.53c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 457 09:39:01    60.144308  +3.79  -14.70c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 458 09:40:30    64.635211  +3.80  -15.08c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 459 09:41:09    99.089263  +3.95  -15.21c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 460 09:42:57   187.776788  +4.19  -15.57c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 09:43:38   175.748931  +4.16  -15.10c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 09:45:02   109.175206  +4.00  -15.29c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 463 09:46:29    63.426322  +3.80  -15.22c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 464 09:47:10     3.542915  +3.28  -15.37c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 09:48:10   147.619644  +4.10  -15.26c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 466 09:49:17    26.806865  +3.59  -15.25c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 09:50:17   163.121550  +4.14  -15.40c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 09:51:42    37.362090  +3.65  -15.50c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 09:52:28    34.137105  +3.64  -14.94c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 470 09:53:05    34.850232  +3.66  -15.23c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 471 09:55:09    35.247922  +3.65  -15.23c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 09:55:50   136.515706  +4.08  -15.21c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 09:56:34    46.782091  +3.72  -15.45c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 09:57:15    -2.780471  +3.19  -15.02c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 09:57:54    54.203715  +3.77  -15.20c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 09:59:25    38.140903  +3.68  -15.42c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 477 10:00:33    -7.959850  +3.05  -15.44c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 10:01:56    89.352522  +3.95  -15.37c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 10:03:21    -9.090266  +3.02  -15.17c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 10:04:01    53.520493  +3.78  -15.15c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 481 10:04:42   157.282134  +4.15  -15.41c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 482 10:05:43   116.743458  +4.05  -15.38c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 483 10:06:33   220.969166  +4.27  -14.79c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 484 10:07:53    75.686388  +3.88  -15.35c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 10:08:34   129.622169  +4.07  -15.38c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 486 10:09:49    82.275600  +3.90  -14.87c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 487 10:10:30   463.648727  +4.52  -15.43c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 488 10:11:19    73.467341  +3.86  -14.80c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 489 10:12:01   296.248498  +4.38  -15.33c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 10:13:08   224.806646  +4.28  -15.28c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 491 10:14:32   204.061319  +4.26  -14.77c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 10:15:16    39.758699  +3.71  -15.23c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 493 10:15:57   628.153177  +4.65  -15.22c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 494 10:16:39  1418.162260  +4.85  -15.19c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 495 10:17:19    24.478121  +3.53  -15.33c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 496 10:17:59   156.706065  +4.12  -15.33c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 10:18:41   260.123690  +4.30  -15.33c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 10:19:35   217.154379  +4.24  -14.35c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 10:20:16   291.581225  +4.35  -15.46c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 500 10:21:24    97.873654  +3.95  -15.21c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 10:22:05    70.787417  +3.83  -15.34c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 10:22:45    52.377161  +3.73  -15.30c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 10:23:26    97.407856  +3.93  -15.45c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 504 10:24:06    31.244507  +3.60  -15.10c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 505 10:24:51     0.996393  +3.20  -15.18c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 506 10:25:36     6.993896  +3.31  -15.37c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 507 10:26:18    73.804772  +3.84  -15.24c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 10:27:02    13.105348  +3.39  -15.03c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 509 10:27:51   416.631896  +4.50  -15.55c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 510 10:29:00   138.128726  +4.08  -15.24c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 511 10:29:58    43.307924  +3.69  -14.68c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 512 10:30:39    33.899890  +3.63  -15.06c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 513 10:31:21   -19.203726  +1.99  -15.47c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 10:32:28    13.155228  +3.42  -15.37c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 515 10:33:18    17.382719  +3.47  -15.46c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 10:34:03   400.946618  +4.46  -15.23c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 517 10:35:07    22.711773  +3.53  -15.23c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 10:35:54    31.009368  +3.63  -15.31c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 10:36:37    -0.948373  +3.22  -14.95c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 520 10:37:38    -9.461614  +2.97  -14.88c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 521 10:38:23     8.482816  +3.35  -15.30c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 522 10:39:03    -1.979911  +3.17  -15.36c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 523 10:39:45    28.065345  +3.54  -15.06c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 524 10:40:23    16.296857  +3.43  -15.21c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 525 10:41:24   801.083101  +4.64  -15.36c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 526 10:42:40    48.278649  +3.67  -14.65c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 10:43:21    47.543695  +3.67  -15.39c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 10:44:04    -0.886789  +3.12  -14.97c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 10:44:50    27.967359  +3.53  -15.34c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 10:45:53     1.496282  +3.22  -15.37c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 10:46:32    -3.588931  +3.14  -15.25c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 10:47:11    77.075532  +3.86  -15.50c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 10:50:16    13.675430  +3.41  -15.08c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 534 10:52:42   -17.288260  +2.40  -15.13c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 535 10:53:43    58.586478  +3.80  -14.95c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 536 10:55:09     3.727879  +3.24  -15.04c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 537 10:55:47    47.139735  +3.70  -15.20c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 538 10:56:50   109.325795  +3.96  -15.46c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 10:57:50   432.872552  +4.45  -15.50c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 540 10:58:55    80.821353  +3.84  -15.34c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 541 10:59:34   160.215468  +4.08  -15.07c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 542 11:00:12     4.653147  +3.24  -15.36c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 543 11:00:52    47.218897  +3.69  -15.36c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 544 11:04:48    64.109920  +3.76  -15.64c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 545 11:05:27    35.705228  +3.59  -14.97c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 546 11:06:29    42.189315  +3.63  -15.42c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 547 11:07:28   933.026038  +4.67  -14.95c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 548 11:08:32    40.905380  +3.63  -15.04c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 549 11:09:15   191.998268  +4.14  -15.28c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 11:12:06    82.790290  +3.84  -15.45c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 551 11:13:11    63.327315  +3.75  -15.23c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 552 11:13:51    71.744966  +3.80  -15.22c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 553 11:14:31   326.813353  +4.34  -15.29c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 11:17:19   165.523543  +4.09  -15.25c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 555 11:18:03   867.659113  +4.65  -15.30c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 11:18:55    18.444152  +3.44  -14.79c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 11:19:40   -11.359873  +2.95  -15.48c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 11:20:42    68.955313  +3.81  -15.15c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 559 11:21:48   227.415777  +4.24  -15.40c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 560 11:22:47    38.136650  +3.62  -14.96c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 11:23:26   506.692740  +4.50  -15.42c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 562 11:24:19    24.333082  +3.51  -14.58c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 11:25:00   198.872598  +4.17  -15.31c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 11:25:40   279.454007  +4.29  -15.07c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 565 11:26:40    -4.724314  +3.08  -15.20c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 566 11:28:43   215.721110  +4.21  -15.18c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 11:29:40   161.484012  +4.11  -14.79c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 568 11:33:13    38.041256  +3.60  -15.29c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 11:33:58    30.709228  +3.54  -15.21c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 570 11:35:43    15.219210  +3.46  -15.38c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 11:36:24    34.818722  +3.63  -15.15c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 11:37:02    83.788258  +3.91  -15.40c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 11:38:03    87.091458  +3.91  -15.36c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 11:38:45   126.748967  +4.04  -15.25c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 575 11:39:50     9.134739  +3.40  -15.49c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 576 11:40:32   116.741337  +4.01  -15.43c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 577 11:41:09   208.453086  +4.22  -15.28c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 11:41:47   854.502655  +4.75  -15.32c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 579 11:43:41   785.992645  +4.71  -15.20c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 580 11:45:05   714.598532  +4.71  -14.64c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 581 11:46:21   256.532945  +4.34  -14.65c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 582 11:48:00   510.966125  +4.61  -14.39c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 11:49:12  1377.911553  +4.87  -15.28c   -0.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 584 11:50:59  1307.659545  +4.91  -14.86c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 11:52:12   355.572539  +4.46  -14.74c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 11:53:11    61.913703  +3.81  -14.95c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 11:54:11   142.344081  +4.11  -14.91c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 11:55:10     3.736478  +3.20  -14.71c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 11:56:26   212.985932  +4.24  -15.45c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 11:57:31     2.236500  +3.16  -14.96c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 591 11:58:38   185.504847  +4.19  -15.12c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 592 11:59:40    61.525441  +3.80  -14.86c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 12:00:55   334.085978  +4.44  -15.46c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 594 12:02:04   295.963916  +4.41  -14.92c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 595 12:03:08   228.472131  +4.33  -14.59c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 596 12:04:14   340.189733  +4.46  -14.64c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 597 12:06:09   305.130621  +4.42  -14.77c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 598 12:07:26   105.623457  +4.01  -15.26c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 599 12:08:27   117.871587  +4.08  -14.58c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 600 12:09:10    -7.029479  +3.08  -15.33c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 601 12:09:52    -7.471948  +3.16  -15.32c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 602 12:10:32    -6.319060  +3.16  -15.21c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 603 12:11:18    84.810244  +3.95  -15.36c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 604 12:12:01   110.745786  +4.05  -15.20c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 605 12:13:30    -9.482157  +3.16  -15.26c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 606 12:14:20    17.363934  +3.52  -15.35c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 607 12:15:07   -13.957220  +3.01  -15.44c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 608 12:15:52    16.584259  +3.57  -15.33c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 12:17:42    24.854646  +3.68  -15.34c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 610 12:18:28    14.608179  +3.51  -15.32c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 611 12:19:12    12.304012  +3.51  -15.08c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 12:19:56   426.888651  +4.54  -15.30c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 613 12:20:43    -8.302410  +3.34  -15.15c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 614 12:21:28    26.188148  +3.73  -15.19c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 615 12:22:08     6.751250  +3.46  -15.28c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 616 12:22:51   137.627215  +4.17  -14.96c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 617 12:23:35    39.437628  +3.79  -15.64c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 618 12:24:20   180.484968  +4.27  -15.38c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 12:25:08   165.033563  +4.20  -15.08c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 620 12:26:05   379.133166  +4.48  -14.89c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 621 12:26:46   140.343747  +4.13  -14.98c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 622 12:27:29   620.665278  +4.63  -15.14c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 12:28:28   202.684705  +4.22  -14.85c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 12:29:20    78.260437  +3.91  -14.66c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 625 12:30:20    54.120379  +3.80  -15.35c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 12:31:30   181.021086  +4.20  -15.12c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 12:33:32   110.195402  +4.01  -14.77c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 12:34:22    77.650037  +3.88  -15.43c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 629 12:35:34    22.937713  +3.56  -15.21c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 630 12:36:34   272.293148  +4.33  -14.52c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 631 12:37:41    47.529752  +3.73  -15.28c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 12:39:15    54.112723  +3.75  -14.62c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 633 12:40:17    19.606478  +3.55  -14.89c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 12:41:00    12.032809  +3.46  -15.49c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 635 12:41:42    13.404125  +3.44  -15.33c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 636 12:42:24     0.128652  +3.28  -15.03c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 637 12:43:04    30.292778  +3.69  -15.38c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 638 12:43:45    48.430037  +3.77  -14.91c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 639 12:44:51    24.131313  +3.59  -15.28c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 640 12:45:45    37.450110  +3.69  -14.89c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 12:46:37    36.242685  +3.70  -15.16c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 642 12:47:47     1.825239  +3.28  -15.24c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 643 12:48:44    83.564949  +3.94  -14.85c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 12:49:25    -4.582447  +3.35  -15.23c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 645 12:50:11     7.751323  +3.49  -15.21c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 646 12:50:55    18.227223  +3.59  -15.45c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 12:51:38    20.901208  +3.55  -15.36c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 648 12:52:18     6.116842  +3.55  -15.24c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 649 12:53:05    12.911574  +3.46  -15.24c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 650 12:53:56    13.379325  +3.45  -15.09c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 651 12:56:22    49.171441  +3.76  -15.39c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 12:57:10   271.700934  +4.38  -15.23c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 653 12:57:55    83.180113  +3.99  -15.28c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 12:58:42    53.086833  +3.83  -15.31c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 655 12:59:29     8.505417  +3.51  -15.36c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 13:00:11    59.082875  +3.90  -15.00c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 13:00:52   107.019607  +4.06  -15.15c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 13:03:19    45.618327  +3.79  -15.29c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 13:05:00    86.451772  +3.96  -14.76c   -0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 13:06:03    45.307279  +3.77  -14.77c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 13:06:48    43.119062  +3.77  -15.23c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 662 13:07:29     0.770030  +3.33  -15.36c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 663 13:08:08    34.052257  +3.71  -15.45c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 664 13:08:48    -4.217091  +3.34  -15.25c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 13:09:28   174.369568  +4.26  -15.27c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 666 13:10:55    20.741497  +3.62  -15.23c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 667 13:11:37    22.365704  +3.68  -15.21c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 668 13:12:25    32.166024  +3.75  -15.40c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 669 13:13:12    19.928714  +3.58  -15.43c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 13:13:58    61.816910  +3.92  -15.50c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 13:14:41    13.767543  +3.55  -15.30c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 672 13:15:32    27.307181  +3.68  -15.17c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 673 13:16:18    48.961598  +3.85  -15.50c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 674 13:17:06    19.777513  +3.64  -15.39c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 675 13:17:51    41.512354  +3.73  -15.10c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 676 13:18:35   -17.088724  +2.64  -15.19c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 677 13:20:23     8.805343  +3.47  -15.24c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 678 13:22:07   125.762089  +4.10  -14.76c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 679 13:23:41   -11.107654  +3.00  -14.46c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 680 13:26:47   894.774539  +4.82  -15.54c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 681 13:27:49   596.788396  +4.70  -14.47c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 13:28:36   181.469064  +4.26  -14.92c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 683 13:30:02   287.161031  +4.44  -15.18c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 684 13:32:57    28.231967  +3.72  -15.07c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 13:34:04    16.206394  +3.55  -14.47c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 686 13:34:51   468.975422  +4.59  -15.26c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 687 13:36:00     6.795782  +3.35  -15.33c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 688 13:36:57   211.367901  +4.29  -14.80c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 13:38:38    18.289444  +3.48  -15.34c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 690 13:39:43   147.290404  +4.16  -14.35c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 691 13:40:25    19.698892  +3.59  -15.50c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 692 13:41:06    -6.233411  +3.20  -15.21c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 693 13:41:53     6.694691  +3.40  -15.34c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 694 13:42:37    47.766586  +3.78  -15.35c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 13:43:46     7.561059  +3.40  -15.33c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 13:44:32   978.129953  +4.82  -15.44c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 697 13:46:19    14.668457  +3.53  -15.46c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 698 13:47:12    55.448093  +3.83  -14.99c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 13:48:22   207.045222  +4.26  -15.28c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 700 13:49:07     2.688503  +3.31  -15.39c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 701 13:49:49   389.794607  +4.50  -15.32c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 702 13:50:44   263.119785  +4.35  -14.86c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 13:51:25   206.789583  +4.25  -15.35c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 704 13:52:18   367.289483  +4.47  -14.73c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 705 13:53:22   356.476061  +4.45  -15.05c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 706 13:54:08    21.484496  +3.56  -15.25c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 707 13:55:00   169.290407  +4.18  -14.82c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 708 13:57:00   143.013025  +4.11  -14.56c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 709 13:58:23   553.299949  +4.59  -15.04c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 13:59:30   588.309723  +4.61  -14.77c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 711 14:00:17   380.159052  +4.44  -15.21c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 14:01:33    42.928327  +3.68  -15.10c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 713 14:02:34     8.845422  +3.45  -14.73c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 14:03:20  1025.034257  +4.77  -15.22c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 715 14:04:01   589.866221  +4.60  -15.12c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 716 14:05:10   219.085950  +4.25  -15.30c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 717 14:06:09    -1.545066  +3.20  -14.95c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 718 14:06:50   393.324944  +4.46  -15.28c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 719 14:07:57    40.641644  +3.67  -15.39c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 14:09:00   561.152296  +4.58  -14.95c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 721 14:09:48  1431.667504  +4.84  -15.10c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 722 14:11:00    70.632344  +3.82  -14.81c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 14:11:50   362.491378  +4.43  -15.62c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 724 14:12:54   112.267406  +3.98  -14.87c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 14:13:54   143.576695  +4.07  -14.83c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 726 14:14:45    -7.855788  +2.94  -15.36c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 727 14:15:48   539.560974  +4.55  -14.92c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 728 14:16:38     5.961888  +3.30  -14.81c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 729 14:17:17    17.202914  +3.48  -15.31c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 730 14:17:56    65.736541  +3.80  -15.19c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 731 14:19:30   224.090488  +4.21  -14.74c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 732 14:20:37   113.851433  +3.98  -15.21c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 733 14:21:20    20.200094  +3.51  -14.96c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 734 14:22:00    58.154545  +3.80  -15.43c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 14:22:44    53.949685  +3.80  -15.34c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 14:23:26    26.359611  +3.65  -15.39c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 14:24:10    24.279327  +3.59  -15.58c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 738 14:24:53    22.617859  +3.58  -15.43c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 14:25:34    25.744344  +3.62  -15.24c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 14:26:13    28.422885  +3.66  -14.99c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 14:26:55    10.768844  +3.51  -14.94c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 742 14:27:39     8.115061  +3.43  -15.48c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 743 14:28:23   911.749291  +4.75  -15.17c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 744 14:29:41  1041.131591  +4.77  -14.80c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 745 14:30:29    75.582798  +3.93  -14.90c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 14:31:14   675.820557  +4.68  -15.16c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 14:31:58  1386.857365  +4.88  -15.20c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 748 14:33:19  1664.303416  +4.87  -14.56c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 749 14:34:25    86.217793  +3.91  -14.74c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 750 14:35:22   939.915289  +4.71  -15.45c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 14:36:25  1100.365503  +4.77  -14.75c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 14:37:22   817.432876  +4.67  -14.81c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 753 14:38:23   600.051786  +4.58  -14.57c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 754 14:39:08   465.467305  +4.51  -15.34c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 755 14:40:05   173.643592  +4.16  -14.61c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 756 14:40:59    46.019352  +3.73  -14.58c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 757 14:41:53    21.001236  +3.57  -14.59c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 758 14:42:37   183.290877  +4.18  -15.44c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 759 14:43:18    87.180032  +3.91  -15.48c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 760 14:43:59   259.404712  +4.30  -15.43c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 14:44:42   111.420058  +4.01  -15.09c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 14:45:36    55.149054  +3.76  -14.70c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 14:46:55     8.215032  +3.42  -14.91c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 764 14:47:47    29.890108  +3.63  -14.95c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 765 14:48:48    27.471678  +3.59  -15.43c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 14:49:28    71.949881  +3.83  -15.33c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 14:50:10    20.201144  +3.56  -15.11c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 768 14:50:53    29.333123  +3.59  -15.11c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 769 14:51:56    50.227169  +3.76  -15.30c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 14:52:33    13.622491  +3.43  -15.44c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 14:54:00   -11.530303  +2.99  -15.28c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 772 14:54:53     0.278859  +3.29  -14.91c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 773 14:55:35   127.045236  +4.04  -15.42c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 774 14:56:17    59.460262  +3.84  -15.28c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 14:57:01    44.269639  +3.75  -15.28c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 14:57:48    50.627049  +3.77  -14.93c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 14:58:31   184.363862  +4.18  -15.13c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 778 14:59:15    21.904044  +3.51  -14.94c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 779 15:00:00     1.553087  +3.37  -15.59c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 780 15:00:43    54.164751  +3.84  -15.41c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 781 15:01:38    30.923990  +3.58  -14.69c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 782 15:02:22    86.988206  +3.89  -15.11c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 15:03:03    36.397534  +3.72  -15.21c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 15:04:07    85.995839  +3.89  -15.33c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 15:05:28    -5.331115  +3.16  -14.69c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 786 15:06:34   211.065666  +4.20  -14.85c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 15:07:15    31.454895  +3.58  -15.18c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 15:07:56    -4.961378  +3.17  -15.23c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 15:08:38   253.719097  +4.27  -15.29c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 15:09:19   148.766481  +4.09  -15.42c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 15:10:25   -12.529444  +2.93  -15.34c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 15:11:06   146.048111  +4.06  -15.17c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 793 15:11:48     7.666042  +3.44  -15.33c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 15:12:35   113.547297  +3.98  -14.85c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 15:13:34   175.511475  +4.12  -14.65c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 15:14:16   284.101150  +4.29  -15.45c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 797 15:14:55   426.478544  +4.43  -15.36c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 798 15:15:34   528.776384  +4.50  -15.32c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 15:16:17    67.811670  +3.78  -15.35c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 15:17:29   145.320300  +4.06  -15.35c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 15:18:21   462.165108  +4.47  -15.44c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 15:19:32   458.417669  +4.48  -14.73c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 15:20:25   189.853115  +4.17  -14.71c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 15:21:08   238.383094  +4.25  -15.45c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 15:22:12   159.202514  +4.11  -15.54c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 15:23:26   646.926487  +4.61  -14.96c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 15:24:15   390.324356  +4.43  -15.52c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 15:28:21    26.632527  +3.60  -14.93c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 15:29:02    42.355126  +3.72  -15.30c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 15:29:56     3.568866  +3.37  -14.90c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 15:30:40   -11.192342  +2.85  -15.00c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 15:31:21   180.347308  +4.16  -15.31c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 15:32:01    62.526329  +3.78  -15.29c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 15:32:42    28.598585  +3.68  -15.26c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 15:33:23    37.646434  +3.65  -15.25c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 15:34:09    -7.156573  +3.06  -15.13c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 15:34:58    14.712306  +3.42  -15.06c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 15:35:42    83.173298  +3.92  -15.42c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 15:36:26    64.245760  +3.84  -15.24c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 15:37:12   165.801333  +4.16  -15.12c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 15:37:59    17.954851  +3.47  -15.34c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 15:38:50    62.835024  +3.88  -15.33c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 15:39:38    23.255692  +3.66  -14.89c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 15:41:05     5.657407  +3.30  -15.27c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 15:42:01   135.828544  +4.11  -14.62c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 15:42:57   307.894278  +4.37  -15.08c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 15:43:42   152.494220  +4.12  -15.08c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 15:44:34   539.684703  +4.57  -15.23c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 15:45:32    -8.999943  +3.09  -14.51c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 15:46:19    40.454361  +3.70  -15.50c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 15:47:01    13.363659  +3.46  -15.19c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 832 15:47:44    32.856513  +3.65  -15.27c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 833 15:48:36    53.225861  +3.77  -14.98c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 15:50:37   117.929016  +4.02  -15.27c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 15:51:43    79.416523  +3.87  -14.84c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 15:56:00   166.210420  +4.14  -14.84c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 15:57:13     8.103098  +3.33  -14.70c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 838 15:58:37    34.769869  +3.65  -15.09c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 16:00:03    12.178284  +3.37  -14.79c   +0.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 16:01:07    16.198147  +3.48  -14.76c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 16:01:52    61.220771  +3.82  -15.11c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 16:02:32   523.015868  +4.55  -15.33c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 16:03:14    27.818616  +3.56  -15.50c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 16:04:18    13.504735  +3.48  -15.15c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 16:05:00    46.748304  +3.78  -15.24c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 16:05:46     2.464036  +3.32  -15.29c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 16:06:34     7.750316  +3.39  -15.19c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 16:07:22    24.007480  +3.65  -14.98c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 16:08:06    54.599174  +3.85  -14.97c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 16:09:35    72.778636  +3.90  -15.14c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 16:10:23    -7.065112  +3.24  -15.44c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 16:11:06     2.744557  +3.43  -15.04c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 853 16:11:49   222.732693  +4.28  -15.26c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 16:12:33    50.708693  +3.77  -14.96c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 855 16:13:18    37.056555  +3.74  -15.40c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 856 16:14:04    71.408209  +3.94  -15.44c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 16:14:50    45.672626  +3.83  -15.45c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 16:15:31     7.384099  +3.46  -14.98c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 16:16:13    26.512436  +3.77  -15.47c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 16:17:01    20.620679  +3.59  -15.25c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 16:17:40    57.701977  +3.87  -15.40c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 16:18:20    -3.424131  +3.46  -15.26c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 16:19:02   127.138606  +4.12  -15.35c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 16:19:42     9.604005  +3.59  -14.90c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 16:20:25    81.161697  +3.97  -15.27c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 16:21:08    15.294694  +3.56  -15.31c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 16:21:53   108.493883  +4.06  -15.18c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 868 16:22:38    86.080945  +4.00  -15.19c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 869 16:23:17   282.654401  +4.36  -15.33c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 16:26:11   129.809823  +4.07  -15.01c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 16:27:01     2.786053  +3.47  -15.45c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 16:27:43     6.911210  +3.42  -15.36c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 16:28:25    84.522610  +3.96  -15.46c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 16:29:06   231.533432  +4.30  -15.50c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 16:29:51   187.073593  +4.22  -15.22c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 876 16:30:35    52.286379  +3.84  -14.99c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 16:31:19   304.890070  +4.39  -15.20c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 878 16:31:59    22.471462  +3.58  -15.13c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 16:32:40    34.631455  +3.74  -15.11c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 880 16:33:17   171.048260  +4.20  -15.51c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 881 16:34:01    41.410132  +3.75  -15.35c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 16:34:40    13.815413  +3.60  -15.50c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 16:35:24    23.066184  +3.68  -15.27c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 16:36:07    22.175373  +3.56  -15.37c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 16:36:45    25.393483  +3.62  -15.29c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 16:37:31    12.981381  +3.51  -15.18c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 887 16:38:15    53.712536  +3.83  -15.22c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 888 16:39:01    20.683891  +3.61  -15.16c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 889 16:39:46    42.353675  +3.78  -15.51c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 890 16:40:31    -9.183639  +3.18  -15.38c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 16:41:15    14.131180  +3.57  -15.03c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 892 16:42:01    52.263409  +3.78  -15.26c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 893 16:42:42    11.551653  +3.57  -15.06c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 894 16:43:30    88.649814  +3.98  -15.36c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 895 16:44:18    70.509329  +3.90  -15.25c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 896 16:45:07    13.323136  +3.47  -15.18c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 16:45:53    67.300064  +3.88  -15.38c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 898 16:46:35    22.085749  +3.66  -15.41c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 899 16:47:17    66.820536  +3.94  -15.15c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 900 16:47:58    14.680584  +3.47  -15.23c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 16:48:42     2.364673  +3.30  -15.50c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 902 16:49:25    -8.636536  +3.14  -15.54c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 903 16:50:06    22.099967  +3.57  -14.94c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 904 16:50:55    12.968708  +3.54  -15.26c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 905 16:51:42    13.216709  +3.47  -15.28c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 906 16:52:37   -11.764231  +3.08  -15.33c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 907 16:53:22    -3.898346  +3.18  -15.45c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 908 16:54:11    28.463938  +3.64  -15.13c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 909 16:54:59    39.279538  +3.73  -15.20c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 910 16:55:44     8.015191  +3.45  -15.45c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 911 16:56:27    63.364035  +3.84  -15.22c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 16:57:19    -3.279849  +3.17  -14.73c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 16:58:43    19.431305  +3.56  -15.45c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 16:59:25    44.347182  +3.72  -15.19c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 915 17:00:10     3.477698  +3.37  -15.14c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 17:00:52    29.869864  +3.64  -15.46c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 917 17:02:10   150.983030  +4.13  -15.15c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 17:03:40     0.380150  +3.11  -14.82c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 17:04:50    20.675990  +3.52  -14.87c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 920 17:05:35    -4.439267  +3.20  -15.37c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 921 17:06:44    74.089888  +3.87  -15.30c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 17:07:25    26.561673  +3.58  -15.45c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 17:08:07   -12.838743  +3.03  -15.08c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 924 17:08:51    24.233447  +3.65  -15.02c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 17:09:35   238.888092  +4.31  -15.30c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 926 17:10:21    22.682286  +3.57  -15.34c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 17:11:05    39.025403  +3.70  -15.21c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 928 17:11:50    55.914323  +3.83  -15.21c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 929 17:12:37    42.637087  +3.74  -15.24c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 930 17:13:24    35.981031  +3.66  -15.29c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 931 17:14:10   -13.756132  +2.86  -15.06c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 932 17:14:56    28.444271  +3.60  -15.45c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 933 17:15:41   117.154350  +4.03  -15.33c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 17:16:26    54.670915  +3.75  -15.33c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 935 17:17:11     7.475658  +3.44  -15.21c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 936 17:17:57     2.316736  +3.50  -15.25c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 937 17:18:42    21.264720  +3.64  -15.31c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 938 17:19:27    84.094718  +3.96  -15.22c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 939 17:20:16     2.120504  +3.27  -15.55c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 940 17:21:01   137.685842  +4.09  -15.23c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 941 17:21:44    -5.044783  +3.42  -15.24c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 17:22:34    15.688222  +3.53  -15.27c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 943 17:23:22    31.126882  +3.70  -15.12c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 944 17:24:06    61.092171  +3.86  -15.36c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 945 17:24:53    71.803381  +3.90  -15.25c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 946 17:25:39    98.737881  +3.98  -15.04c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 947 17:26:26    26.542761  +3.68  -15.33c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 948 17:27:09    27.694266  +3.58  -15.36c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 17:27:50    50.426157  +3.79  -15.46c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 17:28:40    51.028896  +3.78  -14.79c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 951 17:29:28    -6.524223  +3.34  -14.77c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 952 17:30:52    90.235781  +3.93  -15.31c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 953 17:31:59    20.531524  +3.53  -15.32c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 954 17:32:36   -13.895741  +3.06  -15.20c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 955 17:34:01    93.447921  +3.97  -15.23c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 956 17:35:03    21.586370  +3.59  -15.36c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 17:36:09    49.431708  +3.77  -15.42c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 958 17:37:12   111.704066  +4.03  -15.44c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 17:37:52    96.668780  +3.96  -15.29c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 960 17:38:42    56.452390  +3.77  -15.15c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 961 17:39:49    54.669194  +3.78  -15.29c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 17:40:30     6.240487  +3.38  -15.42c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 963 17:41:35    43.494526  +3.74  -15.35c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 964 17:43:40   106.519837  +3.98  -14.54c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 965 17:44:45     4.946023  +3.39  -15.47c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 966 17:45:22    33.211092  +3.64  -15.40c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 967 17:46:03    30.005623  +3.68  -15.23c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 968 17:46:45    11.118167  +3.47  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 969 17:47:24    67.295183  +3.86  -15.13c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 970 17:48:24    62.060058  +3.81  -15.24c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 971 17:49:27    70.005099  +3.89  -15.45c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 972 17:50:26   196.158064  +4.20  -15.26c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 17:51:28   120.914968  +4.02  -15.30c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 17:53:06   672.649675  +4.61  -15.20c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 975 17:54:12   512.240368  +4.51  -14.69c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 976 17:54:53   342.002086  +4.36  -15.18c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 977 17:56:37   761.671850  +4.63  -15.25c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 17:58:18    16.087628  +3.27  -14.63c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 979 17:59:19    60.353860  +3.68  -15.24c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 980 18:00:25   693.988679  +4.61  -15.32c   -0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 981 18:01:45    39.796479  +3.59  -14.58c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 982 18:02:53   156.172732  +4.08  -14.72c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 983 18:03:56   144.975610  +4.08  -14.49c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 984 18:05:01   529.042426  +4.53  -15.26c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 985 18:06:51   177.893660  +4.12  -14.91c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 18:07:42   110.691400  +3.96  -14.96c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 18:09:00   450.474649  +4.49  -15.39c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 988 18:10:25   136.415055  +4.04  -15.01c   -0.0000          38
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 18:11:57   716.577244  +4.65  -15.21c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 990 18:13:04   412.148764  +4.45  -14.76c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 991 18:14:45   252.072522  +4.26  -15.31c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 18:16:08   508.956506  +4.53  -15.12c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 18:17:36   114.224897  +3.97  -14.57c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 994 18:19:04   134.227044  +4.05  -14.66c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 995 18:19:51   501.623883  +4.54  -15.43c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 996 18:20:54   198.232381  +4.19  -14.69c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 997 18:21:58   272.541529  +4.30  -14.80c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 18:23:04    39.752568  +3.62  -15.11c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 18:24:13   633.209855  +4.58  -15.08c   -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 18:25:22   153.453924  +4.06  -14.80c   +0.0000          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


