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

User:   aes38@compute-78
Date:   Sat Sep 30 00:49:16 2023
Arch:   x86_64
Pid:    238613
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: 181.25 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: 270.67 MiB
  Calculator: 42.39 MiB
    Density: 11.28 MiB
      Arrays: 11.20 MiB
      Localized functions: 0.08 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 8.33 MiB
      Arrays: 8.33 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 22.77 MiB
      Arrays psit_nG: 19.69 MiB
      Eigensolver: 3.08 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

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

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

... initialized

Initializing position-dependent things.

Density initialized from wave functions
              .------------------------------------------------.  
             /|                                                |  
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 *            |                                                |  
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 |            |                  H                             |  
 |            |                                                |  
 |            |                HC                              |  
 |            |                 CH                             |  
 |            |                                                |  
 |            |                H                               |  
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 |            .------------------------------------------------.  
 |           /                                                /   
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 *------------------------------------------------*               

Positions:
   0 C     10.000000   10.923542   11.892732    ( 0.0000,  0.0000,  0.0000)
   1 C     10.000000   10.923542   10.563732    ( 0.0000,  0.0000,  0.0000)
   2 H     10.000000   11.847084   12.456465    ( 0.0000,  0.0000,  0.0000)
   3 H     10.000000   10.000000   12.456465    ( 0.0000,  0.0000,  0.0000)
   4 H     10.000000   11.847084   10.000000    ( 0.0000,  0.0000,  0.0000)
   5 H     10.000000   10.000000   10.000000    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    no    20.000000    0.000000    0.000000   132     0.1515
  2. axis:    no     0.000000   21.847084    0.000000   144     0.1517
  3. axis:    no     0.000000    0.000000   22.456465   148     0.1517

  Lengths:  20.000000  21.847084  22.456465
  Angles:   90.000000  90.000000  90.000000

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

Initial localization: ...
Pipek-Mezey localization started
Pipek-Mezey localization finished
Done
     iter     time        total  log10-change:  magmom         iter
                         energy  eigst   dens             inner loop
iter:   1 00:57:46   -19.998819  +0.27  -2.06    -2.0000         112
iter:   2 01:01:35   -20.436272  -0.36  -2.72    -2.0000         115
iter:   3 01:09:20   -20.475160  -0.78  -2.86    -2.0000         116
iter:   4 01:13:04   -20.516284  -1.07  -2.29    -2.0000         112
iter:   5 01:18:13   -20.940308  +2.20  -1.84    -2.0000          45
MOM has detected variational collapse, occupied orbitals have changed
iter:   6 01:19:36   -20.666079  -1.12  -14.84c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:   7 01:24:25   -20.517426  -1.81  -5.41c   -2.0000          40
iter:   8 01:25:15   -20.533485  -1.97  -5.19c   -2.0000          25
iter:   9 01:29:02   -20.680807  -1.09  -1.95    -2.0000         113
iter:  10 01:32:50   -20.746862  -1.01  -2.02    -2.0000         116
iter:  11 01:34:34   -20.789652  -0.90  -4.83c   -2.0000          54
iter:  12 01:36:40   -20.398934  +1.41  -4.61c   -2.0000          64
iter:  13 01:37:48   -20.679178  +0.66  -4.25c   -2.0000          38
MOM has detected variational collapse, occupied orbitals have changed
iter:  14 01:40:58   -20.840476  -0.22  -4.39c   -2.0000          39
iter:  15 01:42:13   -20.825881  +0.77  -4.39c   -2.0000          39
MOM has detected variational collapse, occupied orbitals have changed
iter:  16 01:44:27   -20.710630  -0.11  -4.71c   -2.0000          26
iter:  17 01:45:50   -20.680675  +1.06  -4.66c   -2.0000          43
iter:  18 01:47:08   -20.598422  +1.57  -2.37    -2.0000          40
iter:  19 01:48:30   -20.029870  +2.19  -4.54c   -2.0000          42
iter:  20 01:50:10   -20.776565  +0.12  -4.05c   -2.0000          50
iter:  21 01:51:55   -20.746172  +0.85  -4.73c   -2.0000          52
iter:  22 01:53:00   -20.779746  +0.10  -4.70c   -2.0000          32
iter:  23 01:54:04   -20.786817  -0.87  -5.61c   -2.0000          31
iter:  24 01:55:06   -20.787145  -0.56  -5.73c   -2.0000          31
iter:  25 01:56:14   -20.786579c -0.17  -5.03c   -2.0000          33
iter:  26 01:57:26   -20.785016c -0.00  -5.36c   -2.0000          36
iter:  27 01:58:33   -20.790110c -0.87  -4.68c   -2.0000          33
iter:  28 01:59:14   -20.790904c -1.24  -4.68c   -2.0000          20
iter:  29 02:00:20   -20.789820c -0.43  -5.39c   -2.0000          33
iter:  30 02:01:29   -20.786362c +0.17  -5.22c   -2.0000          34
iter:  31 02:02:17   -20.788466c +0.03  -4.89c   -2.0000          24
iter:  32 02:03:03   -20.793095  -0.74  -3.98    -2.0000          23
iter:  33 02:03:43   -20.794220c -1.71  -4.45c   -2.0000          20
iter:  34 02:04:33   -20.792404c -0.28  -4.81c   -2.0000          25
iter:  35 02:05:25   -20.793224c -0.37  -4.46c   -2.0000          24
iter:  36 02:06:31   -20.794210c -0.42  -5.39c   -2.0000          33
iter:  37 02:07:48   -20.791297c +0.13  -4.09c   -2.0000          38
iter:  38 02:09:25   -20.778109  +0.61  -5.10c   -2.0000          49
iter:  39 02:12:56   -20.833412  -0.34  -2.04    -2.0000         104
iter:  40 02:16:42   -20.572527  +1.57  -1.97    -2.0000         114
iter:  41 02:20:31   -20.619266  +1.09  -2.06    -2.0000         114
iter:  42 02:22:31   -21.031259  +0.77  -14.58c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  43 02:23:08   -21.196764  +0.48  -15.34c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  44 02:23:54   -21.255847  +0.00  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  45 02:24:30   -20.822994  +1.10  -15.00c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  46 02:27:17   -20.953706  +1.18  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  47 02:27:58   -21.337474  +1.12  -15.02c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  48 02:28:47   -21.188778  +1.44  -15.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  49 02:29:29   -21.303966  +0.91  -14.85c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  50 02:30:34   -20.988124  +1.36  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  51 02:31:19   -20.487367  +1.98  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  52 02:31:55   -19.288718  +2.57  -15.32c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  53 02:32:33   -16.329425  +3.04  -15.23c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  54 02:34:57   -18.434482  +2.52  -5.47c   -2.0000          38
iter:  55 02:36:07   -19.668813  +2.09  -4.91c   -2.0000          35
iter:  56 02:36:53   -20.339820  -0.05  -2.30    -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter:  57 02:37:52   -21.319849  +0.90  -14.67c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  58 02:40:41   -20.838873  +1.72  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  59 02:48:05   -20.772570  +0.83  -1.99    -2.0000         119
iter:  60 02:51:52   -20.790258  -0.08  -2.08    -2.0000         112
iter:  61 02:53:41   -20.845894  +0.55  -14.78c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  62 02:54:26   -21.168778  +0.93  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  63 02:55:32   -20.969154  +1.86  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  64 02:56:19   -21.282566  +1.74  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  65 02:57:49   -21.365039  +1.73  -15.19c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  66 02:58:55   -21.994333  +1.54  -15.54c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  67 02:59:40   -21.090612  +2.05  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  68 03:01:08   -20.537563  +1.92  -15.43c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  69 03:01:51   -21.387241  +1.94  -15.05c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  70 03:02:31   -21.064190  +1.78  -15.25c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  71 03:03:39   -20.872428  +2.15  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  72 03:04:20   -19.980820  +2.43  -15.40c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  73 03:05:27   -19.000309  +2.64  -15.47c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  74 03:06:10   -19.990621  +2.18  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  75 03:07:05   -20.604776  +1.55  -15.21c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter:  76 03:08:09   -20.261935  +2.42  -15.44c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  77 03:08:53   -21.253069  +2.41  -15.03c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  78 03:10:00   -20.612540  +2.00  -15.24c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  79 03:10:45   -21.106132  +2.46  -15.06c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  80 03:11:23   -20.954716  +1.71  -15.28c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  81 03:14:30   -21.317681  +1.48  -15.11c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  82 03:15:13   -21.295750  +1.78  -15.42c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  83 03:15:55   -20.829535  +1.89  -15.32c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  84 03:16:34   -20.372997  +1.93  -15.54c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  85 03:17:18   -21.838996  +1.39  -15.56c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  86 03:18:22   -20.431877  +2.03  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  87 03:19:00   -21.239835  +1.92  -15.24c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  88 03:19:42   -21.492670  +2.22  -15.43c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  89 03:20:45   -20.721499  +1.83  -15.27c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  90 03:21:25   -21.222697  +2.09  -15.33c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  91 03:22:03   -19.196538  +2.63  -15.42c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  92 03:24:23   -19.853867  +1.87  -2.22    -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter:  93 03:25:17   -20.667595  +2.03  -14.45c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  94 03:28:51   -20.841153  +2.13  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  95 03:29:56   -21.273333  +2.03  -15.20c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  96 03:31:01   -20.628798  +2.37  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  97 03:32:08   -20.680601  +2.26  -15.40c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  98 03:32:45   -18.785485  +2.55  -15.25c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  99 03:33:21   -15.603366  +3.09  -15.24c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 100 03:33:59   -11.889102  +3.31  -15.01c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 101 03:34:36     1.584341  +3.75  -15.27c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 102 03:35:20    66.206279  +4.31  -15.41c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 103 03:35:58    87.290710  +4.39  -15.00c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 104 03:40:29    18.162970  +3.37  -1.76    -2.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 105 03:42:02     6.990696  +3.77  -14.81c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 106 03:47:35    -3.200728  +3.52  -5.34c   -2.0000          63
iter: 107 03:49:21    15.556026  +3.80  -5.07c   -2.0000          55
iter: 108 03:50:38    23.509946  +3.89  -4.75c   -2.0000          39
iter: 109 03:52:22   -19.072467  +2.51  -2.71    -2.0000          54
MOM has detected variational collapse, occupied orbitals have changed
iter: 110 03:53:29   -18.659118  +2.89  -14.62c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 111 03:54:09   -10.973615  +3.38  -15.28c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 03:57:26   -12.332259  +3.01  -5.52c   -2.0000          48
iter: 113 03:58:49   -10.821001  +3.13  -5.44c   -2.0000          42
iter: 114 03:59:39   -20.671980  +1.47  -1.93    -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 04:00:35   -20.941030  +1.66  -14.81c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 04:01:57   -20.503122  +2.08  -14.78c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 117 04:05:30   -19.806600  +2.35  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 118 04:06:14   -17.453581  +2.89  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 04:06:55    -9.360081  +3.41  -15.34c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 04:07:35    18.213822  +3.93  -15.40c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 121 04:08:16    82.195847  +4.34  -15.26c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 122 04:08:59   135.896601  +4.50  -15.26c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 04:09:35   207.762941  +4.63  -14.97c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 124 04:10:14   336.605988  +4.76  -15.23c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 04:10:54   356.927039  +4.73  -15.57c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 04:11:39   580.024231  +4.85  -15.40c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 04:12:24   510.638868  +4.74  -15.43c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 128 04:13:03   736.061306  +4.79  -15.48c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 129 04:13:53   646.043873  +4.69  -15.27c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 130 04:14:35   730.111179  +4.68  -15.21c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 131 04:15:15   636.177811  +4.61  -15.21c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 132 04:15:56   796.803547  +4.65  -14.94c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 133 04:16:37   617.023921  +4.56  -15.16c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 134 04:17:21    41.247542  +3.64  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 135 04:18:16  1278.693714  +4.71  -15.49c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 136 04:19:15  1162.500496  +4.70  -14.76c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 137 04:20:02    69.117893  +3.75  -15.48c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 138 04:21:12   231.176047  +4.19  -14.59c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 139 04:22:08    78.583681  +3.81  -14.94c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 140 04:22:55    36.898606  +3.60  -15.11c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 141 04:23:34    52.734119  +3.69  -15.16c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 142 04:26:12    25.555351  +3.47  -15.22c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 143 04:26:57    68.515805  +3.76  -15.14c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 144 04:28:23   172.722959  +4.08  -15.52c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 145 04:29:04    85.225494  +3.84  -15.36c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 146 04:30:12   446.562457  +4.42  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 147 04:31:10    -1.086162  +3.14  -14.67c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 148 04:31:53   338.039298  +4.34  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 149 04:32:40   294.311877  +4.30  -15.31c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 150 04:34:11   290.245957  +4.30  -15.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 151 04:34:59     4.423601  +3.26  -15.01c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 152 04:35:49   -10.036311  +2.90  -15.48c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 153 04:36:33   -14.523747  +2.68  -15.08c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 154 04:37:15   -18.131094  +2.42  -15.40c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 155 04:37:57   427.628214  +4.43  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 156 04:39:13   452.663142  +4.46  -15.35c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 157 04:40:22    33.991463  +3.57  -14.84c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 158 04:41:05   460.291488  +4.46  -15.45c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 159 04:41:52   314.053451  +4.32  -15.52c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 160 04:43:02    47.433816  +3.66  -15.19c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 161 04:43:49   370.517288  +4.37  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 162 04:45:52    22.320481  +3.47  -15.30c   -2.0000          54
MOM has detected variational collapse, occupied orbitals have changed
iter: 163 04:46:42     3.442198  +3.20  -15.05c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 164 04:47:47   192.202008  +4.14  -14.56c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 165 04:48:58   245.495625  +4.23  -15.45c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 166 04:49:57   314.458462  +4.32  -14.65c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 167 04:50:39    22.461062  +3.48  -14.96c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 04:51:28    13.488581  +3.37  -15.16c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 169 04:52:12    89.504355  +3.87  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 170 04:53:10  1326.882730  +4.72  -15.48c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 171 04:54:31    39.811725  +3.62  -14.91c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 172 04:55:39    27.917759  +3.55  -15.15c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 173 04:56:45     2.045583  +3.24  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 174 04:57:29   -16.322135  +2.58  -15.10c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 175 04:58:15    27.148336  +3.54  -14.89c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 176 04:59:00    22.659107  +3.50  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 177 05:00:03   123.899338  +4.01  -15.58c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 178 05:01:11    58.000148  +3.76  -15.27c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 179 05:02:17    42.700510  +3.66  -15.31c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 180 05:03:21    51.033259  +3.72  -15.28c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 181 05:04:08    82.210153  +3.86  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 182 05:05:41   482.032148  +4.52  -15.33c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 183 05:07:17   968.485469  +4.74  -15.39c   -2.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 184 05:08:44  1252.911041  +4.85  -14.76c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 185 05:09:45    88.154899  +3.91  -14.70c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 186 05:10:37    29.761378  +3.57  -15.25c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 187 05:11:59    71.341301  +3.85  -14.86c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 188 05:13:16   441.072615  +4.54  -14.89c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 189 05:14:34   238.589654  +4.35  -14.78c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 190 05:15:50  1694.005688  +4.96  -15.56c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 191 05:16:52   135.283028  +4.13  -14.60c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 192 05:17:52   327.484546  +4.44  -14.96c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 193 05:18:34    53.378827  +3.78  -15.22c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 194 05:19:21   840.910537  +4.71  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 195 05:20:19   694.709736  +4.67  -14.61c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 196 05:21:33   974.652853  +4.78  -15.10c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 197 05:23:33   410.242824  +4.50  -15.22c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 198 05:25:01    71.766835  +3.85  -14.92c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 199 05:25:52   260.802854  +4.32  -15.30c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 200 05:26:51   173.000502  +4.16  -14.90c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 201 05:27:38     3.139575  +3.18  -15.13c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 202 05:28:27   561.668042  +4.62  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 203 05:29:11   303.281452  +4.38  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 204 05:29:57   411.861210  +4.48  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 205 05:32:05   110.682990  +3.99  -14.79c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 206 05:33:14   454.607886  +4.51  -15.17c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 207 05:34:06   458.457862  +4.54  -15.60c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 208 05:35:25    66.897198  +3.83  -15.18c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 209 05:36:53    24.008740  +3.50  -14.92c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 210 05:38:16   810.700104  +4.82  -14.86c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 211 05:39:24    28.634741  +3.63  -14.77c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 212 05:40:22    25.902769  +3.62  -14.88c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 213 05:41:20   336.852105  +4.50  -14.93c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 214 05:42:38   128.811182  +4.16  -14.95c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 215 05:43:59   101.406008  +4.10  -14.81c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 216 05:45:09     8.752993  +3.44  -14.58c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 217 05:46:13    81.903420  +4.00  -14.63c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 218 05:47:13    88.048993  +4.02  -14.83c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 219 05:48:12    20.796470  +3.54  -15.24c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 220 05:49:39   481.975797  +4.66  -14.75c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 221 05:50:46    69.616704  +3.93  -14.94c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 222 05:51:54    24.789568  +3.68  -14.92c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 223 05:53:30   342.441358  +4.55  -14.72c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 224 05:54:25    87.571892  +3.99  -15.40c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 225 05:55:43   150.576967  +4.25  -14.99c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 226 05:57:26   544.320785  +4.74  -14.88c   -2.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 227 05:58:25   336.579237  +4.54  -14.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 228 05:59:23   239.646379  +4.40  -15.21c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 229 06:01:10   672.195261  +4.78  -14.49c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 230 06:02:19   489.685113  +4.71  -14.80c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 231 06:03:27   503.608131  +4.73  -14.99c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 232 06:04:25   943.474911  +4.98  -15.26c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 233 06:05:29    36.564352  +3.77  -14.86c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 234 06:06:38    79.230210  +4.03  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 235 06:08:05   273.775597  +4.55  -15.48c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 236 06:09:24    -3.963942  +3.24  -15.07c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 237 06:10:33     5.052260  +3.49  -15.10c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 238 06:11:48    60.545912  +4.01  -15.55c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 239 06:12:34    89.746600  +4.14  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 240 06:13:42   146.814101  +4.36  -15.53c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 241 06:15:09     8.987799  +3.55  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 242 06:16:21    53.185823  +3.98  -14.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 243 06:17:13    17.563076  +3.70  -15.26c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 244 06:18:15    32.299740  +3.85  -15.58c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 245 06:19:19    45.754451  +3.95  -14.85c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 246 06:20:05     8.605770  +3.55  -15.46c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 247 06:20:49   135.823365  +4.32  -15.56c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 248 06:21:37     3.107724  +3.40  -15.42c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 249 06:23:06    70.606625  +4.09  -14.44c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 250 06:23:54    48.868069  +3.97  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 251 06:24:42    35.572464  +3.88  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 06:25:29    16.310224  +3.66  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 253 06:26:12    11.382493  +3.57  -15.33c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 254 06:27:46   947.591864  +5.16  -15.26c   -2.0000          48
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 06:28:49   609.559179  +5.03  -14.80c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 256 06:30:01    80.783691  +4.27  -14.77c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 257 06:31:06   104.790595  +4.37  -14.82c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 258 06:32:13    15.740345  +3.83  -14.74c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 06:33:05    15.245149  +3.82  -15.18c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 260 06:33:52    13.915046  +3.82  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 261 06:36:01   -17.579790  +2.43  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 06:36:52   -13.428678  +3.00  -15.35c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 263 06:37:35    -5.525150  +3.40  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 264 06:38:20   -10.971606  +3.24  -15.46c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 265 06:39:04    -2.226711  +3.47  -15.06c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 266 06:39:53    33.070394  +4.02  -15.31c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 267 06:40:46    14.639172  +3.82  -15.36c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 268 06:41:49    78.159349  +4.26  -14.72c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 269 06:42:54    63.936598  +4.18  -14.58c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 270 06:44:04    35.055007  +3.99  -14.92c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 271 06:44:56   550.533270  +5.01  -15.08c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 272 06:46:05    -2.103285  +3.50  -14.62c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 273 06:47:07    33.753952  +3.98  -14.63c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 274 06:48:13   105.967211  +4.34  -14.57c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 275 06:49:03   149.197029  +4.46  -15.41c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 276 06:49:49    24.596540  +3.88  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 277 06:51:16     7.931708  +3.68  -15.00c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 278 06:52:18   632.685595  +4.96  -14.90c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 279 06:53:27    62.854037  +4.06  -14.85c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 280 06:54:56    27.569129  +3.84  -14.89c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 281 06:56:44    34.547952  +3.85  -14.62c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 282 06:57:36   465.735938  +4.88  -15.55c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 283 06:58:40    11.244046  +3.67  -14.80c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 06:59:49    18.748411  +3.77  -15.25c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 07:00:37    22.417365  +3.79  -15.33c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 07:01:26   429.313976  +4.82  -14.93c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 287 07:02:29   434.007145  +4.81  -14.47c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 07:03:37   205.989138  +4.57  -14.59c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 289 07:04:30   185.416675  +4.51  -15.35c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 290 07:05:35     7.224477  +3.62  -14.85c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 291 07:07:03   110.567574  +4.34  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 292 07:08:09   208.972157  +4.57  -15.43c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 293 07:08:54    78.804437  +4.20  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 294 07:09:55    90.558778  +4.25  -14.69c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 07:10:40    91.205551  +4.24  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 07:11:41    65.559928  +4.11  -14.65c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 297 07:12:37    16.559305  +3.75  -14.90c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 07:15:04    47.019985  +3.99  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 07:16:03   155.002254  +4.41  -14.70c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 07:17:25     5.382432  +3.55  -14.55c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 07:18:33   274.903541  +4.65  -15.44c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 07:20:58    75.206304  +4.18  -14.79c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 303 07:21:44    91.346207  +4.23  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 07:23:54   -12.626526  +2.99  -15.46c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 07:26:28    14.252370  +3.71  -15.28c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 07:32:00   -20.871332  +1.16  -2.39    -2.0000          62
MOM has detected variational collapse, occupied orbitals have changed
iter: 307 07:34:32   -13.490823  +3.06  -14.93c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 308 07:36:14     0.264002  +3.51  -14.95c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 309 07:36:58   159.678760  +4.44  -14.88c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 310 07:38:35   -15.186632  +2.94  -15.25c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 311 07:39:23    22.305856  +3.81  -15.12c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 07:40:23    39.064116  +3.95  -15.45c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 313 07:41:27    46.047492  +3.98  -15.10c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 314 07:42:15   798.775357  +5.03  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 315 07:43:49    76.870516  +4.16  -14.98c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 316 07:44:58    25.285119  +3.84  -14.57c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 07:46:09    26.937532  +3.86  -15.32c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 318 07:46:57    62.224836  +4.09  -15.01c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 319 07:47:45   123.784986  +4.32  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 320 07:48:33   109.966451  +4.25  -15.21c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 321 07:49:21    31.758692  +3.86  -15.38c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 322 07:50:10    49.842960  +3.99  -15.16c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 323 07:50:56    51.952771  +3.98  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 324 07:51:45   403.787263  +4.76  -15.35c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 325 07:52:35   371.597539  +4.69  -15.28c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 326 07:53:42  1073.132687  +5.03  -14.92c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 327 07:54:49    50.618080  +3.89  -14.76c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 328 07:55:57    20.330625  +3.68  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 329 07:57:06   211.590380  +4.46  -15.22c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 330 07:57:53    56.578627  +3.96  -15.27c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 331 07:58:36   105.015683  +4.17  -15.08c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 07:59:45   627.529778  +4.94  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 333 08:00:26    29.979194  +3.88  -15.26c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 334 08:01:11    96.780992  +4.28  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 335 08:02:23   406.433598  +4.89  -15.39c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 08:03:06    16.172506  +3.77  -15.14c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 337 08:03:53   223.212256  +4.63  -15.08c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 338 08:04:31    60.323496  +4.17  -15.30c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 08:05:21    54.666195  +4.14  -15.42c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 340 08:06:02   291.081772  +4.72  -15.29c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 341 08:07:01    24.818813  +3.89  -14.91c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 342 08:08:15     3.118505  +3.62  -15.22c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 343 08:09:02    24.231009  +3.89  -15.05c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 344 08:09:50    19.984960  +3.84  -15.50c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 345 08:10:37    33.601171  +3.96  -15.23c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 346 08:11:24   328.675229  +4.78  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 347 08:12:20   120.930868  +4.41  -14.45c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 08:13:16   951.872992  +5.16  -15.27c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 349 08:14:17    51.318370  +4.06  -14.87c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 08:15:07   520.822264  +4.99  -15.09c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 08:16:06   247.283797  +4.67  -14.48c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 08:17:22   524.312186  +4.92  -14.95c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 353 08:19:51    24.461336  +3.82  -14.77c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 08:20:34    29.374350  +3.88  -15.28c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 355 08:21:20    26.381934  +3.87  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 356 08:22:16    99.371829  +4.26  -15.28c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 357 08:23:01    96.027539  +4.24  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 08:23:46    50.836418  +4.03  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 08:24:39    21.134217  +3.81  -15.13c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 08:25:28   131.927997  +4.34  -15.20c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 361 08:26:11   377.947978  +4.71  -15.21c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 08:27:23    47.464871  +3.93  -15.15c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 363 08:28:14    13.823922  +3.64  -15.47c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 364 08:29:01     3.757697  +3.47  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 365 08:29:47    42.283242  +3.95  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 366 08:30:37    31.227684  +3.82  -15.06c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 367 08:31:31     4.668810  +3.46  -15.42c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 368 08:32:26    28.796919  +3.78  -15.25c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 369 08:33:20   349.563403  +4.68  -15.27c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 370 08:34:20   301.945514  +4.68  -15.01c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 371 08:35:39   430.036532  +4.85  -14.56c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 372 08:36:40   404.533452  +4.86  -15.00c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 08:37:45   874.412111  +5.11  -14.85c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 374 08:40:18  1161.205093  +5.17  -14.75c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 375 08:41:44    19.359751  +3.67  -14.70c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 08:43:12    44.112278  +3.96  -15.24c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 377 08:44:05    22.816405  +3.77  -15.21c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 08:44:49    43.166400  +3.94  -15.24c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 08:45:32    42.474974  +3.92  -15.15c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 380 08:46:17    53.715811  +3.99  -15.42c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 08:47:25    32.305579  +3.83  -15.14c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 382 08:48:08    22.290373  +3.74  -15.45c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 383 08:48:49    27.936643  +3.80  -15.42c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 384 08:49:32     1.020323  +3.40  -15.26c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 08:50:20    77.864173  +4.11  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 386 08:53:45     0.141372  +3.39  -15.29c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 08:54:30    53.397773  +4.00  -15.17c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 388 08:55:57    49.737533  +3.95  -15.18c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 389 08:56:40   132.413418  +4.30  -15.37c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 08:57:45    20.944524  +3.71  -15.17c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 391 08:58:51   145.416827  +4.31  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 392 08:59:36    40.847935  +3.87  -14.95c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 393 09:00:18   137.243621  +4.27  -15.10c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 394 09:01:04   118.274075  +4.20  -15.51c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 09:01:50    14.356021  +3.61  -15.63c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 396 09:02:32    14.887409  +3.62  -14.99c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 397 09:03:15   109.962774  +4.17  -15.28c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 398 09:03:59    63.981531  +3.98  -15.31c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 09:05:08    95.756096  +4.10  -15.50c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 400 09:05:51   414.962540  +4.61  -14.97c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 401 09:06:44   396.472821  +4.60  -14.67c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 09:07:30    71.735862  +3.97  -15.49c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 09:08:13    51.540732  +3.88  -15.26c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 09:09:18   390.675028  +4.63  -15.55c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 09:10:31   498.517205  +4.72  -14.72c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 09:11:37   215.205748  +4.39  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 09:12:26   187.524136  +4.33  -15.25c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 09:13:04   157.847785  +4.25  -15.17c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 409 09:14:16   351.040748  +4.53  -14.97c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 410 09:14:55   327.658053  +4.51  -15.43c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 411 09:15:35    -5.036678  +3.13  -15.41c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 412 09:16:18    69.084842  +3.96  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 413 09:17:24    63.688903  +3.91  -15.41c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 09:18:06   476.982906  +4.63  -15.32c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 415 09:19:41   348.533143  +4.50  -15.53c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 416 09:21:07   216.447527  +4.32  -14.70c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 09:21:51   432.643872  +4.57  -15.54c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 418 09:23:36    12.356484  +3.47  -15.05c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 419 09:24:19     3.597607  +3.35  -15.15c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 09:25:08    -4.963619  +3.16  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 09:25:50   151.970978  +4.20  -15.24c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 09:27:20   234.149649  +4.37  -15.09c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 423 09:28:43   437.913104  +4.61  -15.53c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 09:29:41     7.107600  +3.45  -14.89c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 425 09:30:29    24.132223  +3.63  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 09:31:20    51.791150  +3.84  -15.11c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 09:32:06    41.343603  +3.76  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 428 09:32:49   116.589894  +4.11  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 09:33:35    24.011177  +3.62  -15.44c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 09:34:41   183.315345  +4.26  -15.39c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 09:35:22    39.103900  +3.75  -15.12c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 432 09:36:05   530.221369  +4.69  -15.52c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 09:37:33   334.612360  +4.50  -15.67c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 434 09:38:19   103.974523  +4.08  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 09:41:10   282.581925  +4.44  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 09:42:16    -0.259971  +3.25  -14.88c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 09:43:06   458.370198  +4.60  -15.24c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 438 09:44:19   559.193482  +4.65  -15.27c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 439 09:49:13   -12.609768  +2.65  -2.11    -2.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 09:50:38   120.818118  +4.08  -14.61c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 441 09:51:44   250.810835  +4.37  -15.42c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 442 09:52:55    33.196268  +3.73  -15.34c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 443 09:53:58   291.081851  +4.44  -14.54c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 09:54:45   429.942327  +4.57  -15.42c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 09:55:56   187.397125  +4.26  -14.78c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 446 09:57:07    12.502864  +3.48  -15.28c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 447 09:57:54    66.678523  +3.90  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 448 09:58:39    14.564900  +3.55  -15.12c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 449 09:59:21    -1.487642  +3.27  -15.33c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 10:00:06    15.603336  +3.57  -15.52c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 10:00:51    31.273332  +3.72  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 10:01:30    22.147927  +3.67  -15.39c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 453 10:02:11     9.620343  +3.47  -15.14c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 10:02:48    10.960501  +3.51  -15.37c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 455 10:03:30   170.575664  +4.32  -15.37c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 456 10:04:17    29.243628  +3.74  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 457 10:05:01    42.925277  +3.83  -15.21c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 458 10:05:45    34.067714  +3.77  -15.16c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 459 10:06:53    35.259306  +3.75  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 460 10:07:41    29.516451  +3.71  -15.48c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 10:08:30    40.571432  +3.81  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 10:09:12   120.053238  +4.20  -15.30c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 463 10:10:15   160.319444  +4.29  -15.26c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 464 10:11:25     7.412055  +3.44  -15.13c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 10:12:09   121.864950  +4.18  -15.15c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 466 10:12:54   155.140945  +4.25  -15.13c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 10:13:37    18.829549  +3.58  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 10:14:22   397.689078  +4.56  -15.39c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 10:15:11   685.446264  +4.75  -15.20c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 470 10:16:14   131.704630  +4.15  -14.85c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 471 10:17:02    47.889100  +3.78  -15.45c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 10:17:45    78.541096  +3.96  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 10:18:53   181.677351  +4.26  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 10:19:36   124.998493  +4.12  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 10:20:27  1347.884309  +4.90  -15.55c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 10:21:07    45.488994  +3.74  -15.35c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 477 10:21:46   158.462456  +4.15  -15.41c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 10:22:37    35.176966  +3.68  -14.70c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 10:23:18   144.547525  +4.15  -15.21c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 10:24:02    47.275989  +3.81  -15.13c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 481 10:25:12     6.585599  +3.42  -15.11c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 482 10:25:57    14.095141  +3.53  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 483 10:26:38   141.062892  +4.17  -15.46c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 484 10:27:20    19.784589  +3.58  -15.22c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 10:28:01    20.659550  +3.60  -15.38c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 486 10:28:40    -2.000924  +3.24  -15.24c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 487 10:29:28    -0.059107  +3.31  -15.39c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 488 10:30:07    39.869718  +3.82  -14.98c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 489 10:30:53     3.898752  +3.36  -15.41c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 10:33:25    96.416211  +4.09  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 491 10:34:08     3.399003  +3.37  -15.36c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 10:34:56    46.310021  +3.86  -15.05c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 493 10:35:34     8.798128  +3.47  -15.22c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 494 10:36:17     4.830304  +3.44  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 495 10:37:18     0.515260  +3.40  -15.20c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 496 10:38:02    34.900237  +3.76  -15.28c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 10:38:46    35.194877  +3.77  -14.94c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 10:39:54    14.731772  +3.56  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 10:40:38    14.793904  +3.57  -15.41c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 500 10:41:17    27.446397  +3.70  -15.56c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 10:41:55    12.631521  +3.60  -14.98c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 10:42:40   112.870490  +4.14  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 10:43:47    32.377032  +3.75  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 504 10:44:33   -15.156096  +2.76  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 505 10:45:13     7.700291  +3.50  -15.14c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 506 10:45:58    29.900362  +3.72  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 507 10:46:35    10.661427  +3.53  -15.51c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 10:47:14    33.671340  +3.76  -15.47c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 509 10:47:52    37.264005  +3.80  -15.50c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 510 10:48:33    37.005199  +3.79  -15.06c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 511 10:49:15    11.999094  +3.48  -15.43c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 512 10:49:55    29.038068  +3.69  -15.06c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 513 10:50:38    15.153562  +3.50  -15.29c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 10:51:45    25.969508  +3.70  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 515 10:52:43  1243.032535  +5.17  -15.25c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 10:57:17     1.911064  +3.23  -1.91    -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 517 10:58:29   909.691484  +5.06  -14.72c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 11:00:15   778.184400  +5.01  -14.87c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 11:01:04   457.754886  +4.80  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 520 11:01:52    68.158794  +4.07  -15.08c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 521 11:02:59    74.252234  +4.08  -15.42c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 522 11:03:42    31.301642  +3.80  -15.54c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 523 11:04:27   132.258582  +4.28  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 524 11:05:35   287.115459  +4.59  -15.12c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 525 11:06:23    61.526569  +4.03  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 526 11:07:45    31.801952  +3.83  -14.66c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 11:08:26    40.688311  +3.89  -15.43c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 11:09:06   293.618267  +4.55  -15.45c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 11:09:52   185.035232  +4.37  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 11:10:56   122.385178  +4.25  -15.10c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 11:12:24    46.179811  +3.90  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 11:13:58    34.790315  +3.84  -15.48c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 11:14:42    52.546363  +3.94  -14.94c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 534 11:15:46    20.288789  +3.71  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 535 11:17:14    16.903717  +3.66  -15.25c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 536 11:17:52    35.103492  +3.82  -15.22c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 537 11:18:39    54.218701  +3.96  -15.42c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 538 11:19:43    35.608583  +3.83  -15.40c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 11:20:35    18.612830  +3.67  -14.77c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 540 11:21:20    45.709287  +3.90  -15.47c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 541 11:21:58    20.341906  +3.67  -15.25c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 542 11:22:44     7.126121  +3.47  -15.32c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 543 11:23:26    23.176581  +3.69  -15.30c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 544 11:24:15   226.654235  +4.52  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 545 11:25:20  1800.490709  +5.18  -15.55c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 546 11:27:06    93.615016  +4.04  -14.89c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 547 11:27:50   229.247740  +4.41  -14.90c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 548 11:28:58    50.792753  +3.87  -14.50c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 549 11:29:45   105.483477  +4.11  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 11:30:31   319.415185  +4.53  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 551 11:31:55   977.428369  +5.02  -15.31c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 552 11:33:31   261.803261  +4.55  -14.73c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 553 11:34:45   753.506089  +4.96  -14.71c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 11:36:01   246.319330  +4.54  -15.50c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 555 11:37:14    72.271486  +4.07  -14.72c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 11:38:12   159.685127  +4.36  -14.99c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 11:39:00   103.466540  +4.18  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 11:39:48   110.058361  +4.20  -15.19c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 559 11:41:10    51.973830  +3.91  -14.75c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 560 11:41:53   409.352568  +4.71  -15.36c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 11:42:37    50.834839  +3.93  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 562 11:43:18    29.836419  +3.78  -15.29c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 11:44:07    63.718558  +4.06  -15.31c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 11:44:50    15.598596  +3.65  -14.94c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 565 11:45:34    14.523638  +3.64  -15.47c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 566 11:46:17    35.457636  +3.85  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 11:47:03    36.747773  +3.87  -15.41c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 568 11:47:52     8.975056  +3.50  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 11:48:37    20.783606  +3.73  -14.87c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 570 11:49:19    24.215830  +3.73  -14.99c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 11:50:05    32.434638  +3.79  -15.23c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 11:50:48    15.045827  +3.58  -15.45c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 11:51:34    15.411522  +3.59  -15.10c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 11:52:21    14.982635  +3.53  -15.45c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 575 11:53:05    50.733817  +3.90  -15.09c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 576 11:53:54   626.988687  +4.87  -15.37c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 577 11:55:14  1322.789841  +5.17  -15.43c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 11:56:41   144.606947  +4.34  -14.90c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 579 11:57:56    66.449652  +4.05  -15.01c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 580 11:58:54  1591.500077  +5.13  -15.48c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 581 12:00:08    35.876002  +3.79  -14.62c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 582 12:00:55    66.284467  +3.99  -15.05c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 12:02:20    79.812586  +4.05  -14.95c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 584 12:03:10    71.455391  +4.00  -15.23c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 12:05:24    11.905345  +3.58  -15.46c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 12:06:11   202.851140  +4.39  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 12:07:10  1770.843946  +5.05  -15.52c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 12:08:12     5.516546  +3.49  -14.48c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 12:08:58    65.729438  +3.91  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 12:10:03    15.163277  +3.56  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 591 12:10:42    49.307269  +3.82  -15.40c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 592 12:11:50   205.992350  +4.32  -15.23c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 12:12:38   118.854704  +4.08  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 594 12:13:25   488.723969  +4.58  -15.39c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 595 12:14:09   952.526584  +4.76  -15.12c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 596 12:18:05   278.932744  +4.35  -15.33c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 597 12:18:56   371.854204  +4.44  -15.20c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 598 12:20:08   467.363826  +4.51  -14.82c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 599 12:21:20   530.418195  +4.54  -14.91c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 600 12:22:08   169.442877  +4.11  -15.41c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 601 12:23:14    45.307724  +3.66  -14.67c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 602 12:24:05    44.372351  +3.76  -15.09c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 603 12:25:34     8.327683  +3.38  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 604 12:27:29   289.121672  +4.32  -15.15c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 605 12:28:36   304.788614  +4.33  -14.79c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 606 12:29:14   240.806708  +4.23  -15.21c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 607 12:31:48   656.314766  +4.58  -15.23c   -2.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 608 12:33:36   173.658218  +4.09  -14.44c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 12:34:41   301.636323  +4.30  -14.66c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 610 12:39:00     2.173059  +3.11  -1.89    -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 611 12:40:07   478.903174  +4.46  -14.80c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 12:41:07    98.860875  +3.88  -14.94c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 613 12:41:49   627.852480  +4.55  -15.58c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 614 12:43:11   128.673263  +4.04  -15.43c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 615 12:44:24   124.691234  +3.99  -14.93c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 616 12:45:09    76.021066  +3.94  -14.94c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 617 12:45:55    63.654934  +3.75  -15.14c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 618 12:46:41  1199.771138  +4.70  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 12:48:47    16.504476  +3.57  -14.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 620 12:50:37   952.959298  +4.66  -15.32c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 621 12:51:46   622.640970  +4.57  -14.88c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 622 12:52:38   512.052478  +4.52  -14.57c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 12:53:19    88.315172  +3.92  -15.16c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 12:54:05    53.955443  +3.76  -15.46c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 625 12:55:28   138.674246  +4.05  -15.04c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 12:56:53   514.321339  +4.49  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 12:57:38    83.660090  +3.85  -15.48c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 12:58:20   286.067090  +4.28  -15.30c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 629 12:59:02    28.277394  +3.62  -15.46c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 630 12:59:47    82.442447  +3.86  -15.50c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 631 13:00:32    68.858315  +3.78  -15.51c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 13:01:38   288.344214  +4.30  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 633 13:02:20    76.676738  +3.84  -15.13c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 13:03:08    76.593405  +3.87  -14.90c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 635 13:03:53   934.443737  +4.63  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 636 13:05:14   371.202755  +4.36  -14.42c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 637 13:06:22   353.460386  +4.38  -14.86c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 638 13:07:07  1361.166472  +4.72  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 639 13:08:04    75.581603  +3.82  -14.71c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 640 13:08:48    89.612781  +3.87  -15.46c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 13:09:54   277.070909  +4.25  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 642 13:11:04    24.372246  +3.48  -15.04c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 643 13:12:10    36.267082  +3.66  -15.08c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 13:12:56   346.134283  +4.37  -15.54c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 645 13:13:44   187.435362  +4.13  -14.98c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 646 13:14:28    26.956500  +3.52  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 13:15:11   326.119839  +4.33  -15.20c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 648 13:16:33    70.054623  +3.79  -15.13c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 649 13:17:17    10.068288  +3.41  -15.15c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 650 13:18:02   449.349803  +4.46  -15.48c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 651 13:18:45    37.124726  +3.64  -15.06c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 13:19:33    -7.373359  +3.18  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 653 13:20:19     1.921658  +3.27  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 13:21:06    10.190132  +3.37  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 655 13:21:54    43.265792  +3.69  -15.57c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 13:22:38    21.050916  +3.56  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 13:23:49    40.751550  +3.68  -15.22c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 13:24:39    30.816678  +3.66  -15.42c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 13:25:26    64.341555  +3.89  -15.39c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 13:26:11    19.842092  +3.63  -15.00c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 13:26:58    -3.289254  +3.17  -15.33c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 662 13:27:42     9.680134  +3.46  -15.50c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 663 13:28:26    27.261934  +3.62  -15.09c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 664 13:29:14    24.455676  +3.71  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 13:30:00    88.999726  +4.00  -15.43c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 666 13:30:44    84.450850  +4.01  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 667 13:31:26    65.407448  +3.86  -14.99c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 668 13:32:09     3.851376  +3.30  -15.31c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 669 13:32:58    23.368606  +3.63  -15.39c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 13:33:43    17.616124  +3.56  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 13:34:52    37.938199  +3.74  -15.19c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 672 13:35:39     9.145670  +3.44  -15.57c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 673 13:36:25    14.816143  +3.54  -15.31c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 674 13:37:09    38.529022  +3.80  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 675 13:37:52    86.812669  +4.02  -15.19c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 676 13:38:42   143.152161  +4.22  -15.24c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 677 13:39:26    89.573904  +4.05  -15.32c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 678 13:40:09    12.229981  +3.48  -15.45c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 679 13:40:48     9.147390  +3.47  -15.33c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 680 13:41:29   115.340695  +4.17  -15.51c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 681 13:42:39    29.789832  +3.72  -15.33c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 13:43:26    37.107562  +3.75  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 683 13:44:15     2.259460  +3.30  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 684 13:45:02   209.059873  +4.34  -15.00c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 13:45:45   426.485368  +4.60  -15.49c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 686 13:46:52   236.714385  +4.38  -14.95c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 687 13:47:42    -5.075146  +3.15  -15.50c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 688 13:48:26    23.750062  +3.76  -15.49c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 13:49:11    41.821108  +3.87  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 690 13:50:36    36.336495  +3.91  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 691 13:52:25    52.093191  +3.84  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 692 13:53:28    40.536652  +3.74  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 693 13:54:12    55.121482  +3.82  -15.14c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 694 13:54:56   162.338666  +4.17  -15.43c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 13:56:04    60.014355  +3.83  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 13:57:00    64.564145  +3.88  -14.90c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 697 13:57:44   159.637497  +4.20  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 698 14:00:42   308.593944  +4.42  -15.51c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 14:02:07     2.953626  +3.17  -15.25c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 700 14:03:51    47.034485  +3.75  -14.99c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 701 14:04:52    79.262567  +3.91  -15.49c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 702 14:05:38   249.150443  +4.33  -15.31c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 14:06:28   591.558263  +4.69  -15.49c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 704 14:07:36   114.929892  +4.08  -14.99c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 705 14:08:39    14.337623  +3.55  -14.73c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 706 14:09:28    20.506220  +3.61  -15.08c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 707 14:10:14   840.774773  +4.87  -15.56c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 708 14:13:06    36.743007  +3.76  -15.30c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 709 14:13:55    19.665757  +3.61  -15.11c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 14:14:42     7.504044  +3.45  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 711 14:15:30    23.406995  +3.72  -15.22c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 14:16:16   197.971399  +4.33  -15.06c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 713 14:17:02   122.188181  +4.19  -15.03c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 14:17:45   412.853845  +4.65  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 715 14:18:35   304.999653  +4.54  -15.19c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 716 14:20:07    23.613524  +3.66  -14.75c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 717 14:20:53   136.467850  +4.24  -14.93c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 718 14:21:35   140.336961  +4.28  -15.29c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 719 14:22:16   293.416510  +4.51  -15.38c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 14:23:02   781.122251  +4.82  -15.47c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 721 14:24:04   783.765878  +4.80  -14.52c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 722 14:25:27   215.035262  +4.30  -14.63c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 14:26:52   326.774800  +4.47  -14.76c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 724 14:27:34    38.062651  +3.72  -15.24c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 14:28:48    39.301225  +3.81  -15.37c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 726 14:29:54    65.736350  +3.91  -14.98c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 727 14:30:36   338.379110  +4.45  -15.10c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 728 14:32:11    -8.542990  +2.70  -15.42c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 729 14:33:22    28.924573  +3.72  -14.84c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 730 14:34:30   115.384118  +4.02  -15.04c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 731 14:35:35   139.812873  +4.11  -14.81c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 732 14:36:23    24.345549  +3.69  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 733 14:37:11  1328.921883  +4.94  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 734 14:37:59    48.949828  +3.77  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 14:38:44   524.546737  +4.64  -15.45c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 14:39:33    40.292711  +3.79  -15.25c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 14:40:40    35.013050  +3.75  -14.67c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 738 14:41:28    20.415397  +3.60  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 14:42:12    15.417429  +3.56  -15.41c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 14:43:18     6.471888  +3.40  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 14:44:02    23.092149  +3.62  -15.30c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 742 14:44:41    32.540996  +3.76  -14.93c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 743 14:45:21    89.475252  +3.94  -15.27c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 744 14:46:02    32.918800  +3.61  -15.17c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 745 14:46:45   120.232694  +4.02  -15.31c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 14:47:24    69.061418  +3.87  -15.51c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 14:48:07    28.467863  +3.64  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 748 14:48:54    50.218029  +3.86  -15.43c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 749 14:49:33    24.427416  +3.66  -15.26c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 750 14:50:16    24.938515  +3.58  -14.99c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 14:50:59    71.603063  +3.88  -15.44c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 14:51:42    38.983329  +3.75  -15.36c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 753 14:52:25    46.217483  +3.77  -15.41c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 754 14:53:05    48.311699  +3.88  -15.23c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 755 14:53:49    50.041810  +3.86  -15.21c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 756 14:54:36    25.275614  +3.78  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 757 14:55:19   137.701422  +4.17  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 758 14:56:07   104.687222  +4.05  -14.96c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 759 14:56:54   148.743891  +4.18  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 760 14:57:38    27.786287  +3.73  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 14:58:27    14.504401  +3.51  -15.44c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 14:59:17    12.024986  +3.47  -15.22c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 15:00:02    57.781099  +3.95  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 764 15:00:39    80.002641  +3.99  -15.05c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 765 15:01:23    35.359808  +3.79  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 15:02:06    21.776554  +3.66  -14.88c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 15:02:47    83.491847  +3.97  -15.29c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 768 15:03:34    13.988701  +3.53  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 769 15:04:13    91.988444  +3.96  -15.40c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 15:04:53    50.562060  +3.88  -15.39c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 15:05:38     2.667226  +3.38  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 772 15:06:18     5.038741  +3.51  -15.21c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 773 15:07:02    11.166537  +3.42  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 774 15:07:44    73.227780  +3.92  -15.36c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 15:08:30    83.719949  +4.00  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 15:09:21    19.550456  +3.75  -15.07c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 15:10:14    84.522724  +4.02  -15.46c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 778 15:10:57    21.940220  +3.59  -15.40c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 779 15:11:44    13.150046  +3.54  -15.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 780 15:12:40    37.801721  +3.74  -15.31c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 781 15:13:53     6.337402  +3.45  -15.46c   -2.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 782 15:14:46    32.027360  +3.74  -15.43c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 15:15:35    24.880545  +3.66  -14.85c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 15:16:23    30.410814  +3.71  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 15:17:27  1967.435907  +5.16  -15.17c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 786 15:18:31   169.428894  +4.34  -14.87c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 15:19:40    94.758488  +4.08  -15.03c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 15:20:50  1647.388422  +5.19  -15.27c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 15:22:19    27.821530  +3.72  -14.88c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 15:23:04    39.551328  +3.85  -14.95c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 15:23:52    66.030147  +4.00  -15.10c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 15:24:50   167.938449  +4.33  -14.81c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 793 15:25:58   212.391378  +4.41  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 15:27:01   790.628894  +5.02  -15.04c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 15:28:17   202.910511  +4.53  -14.89c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 15:29:07   178.900900  +4.44  -15.35c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 797 15:30:19    94.733991  +4.19  -15.32c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 798 15:31:29    22.584967  +3.77  -14.64c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 15:32:37     9.696677  +3.58  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 15:33:23   147.058371  +4.36  -15.25c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 15:34:07    53.047940  +3.98  -15.66c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 15:35:14   354.393558  +4.66  -15.22c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 15:36:29   247.616874  +4.51  -14.63c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 15:37:13    15.893238  +3.60  -15.05c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 15:38:00    29.198775  +3.77  -15.49c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 15:38:56   278.842338  +4.54  -15.11c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 15:39:42   516.517653  +4.72  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 15:40:40    70.866237  +4.00  -15.04c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 15:41:28   238.072116  +4.43  -15.46c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 15:42:13   282.276326  +4.46  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 15:43:01    36.981005  +3.74  -15.28c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 15:44:31   328.017302  +4.50  -15.10c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 15:45:41   392.415390  +4.55  -15.25c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 15:46:35   573.521257  +4.66  -14.81c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 15:47:34   368.460686  +4.54  -14.70c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 15:49:12   300.802806  +4.50  -15.42c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 15:50:28    28.780689  +3.68  -14.81c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 15:52:45   150.215950  +4.24  -14.92c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 15:53:59    90.349409  +4.01  -14.90c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 15:55:48    10.631904  +3.49  -14.79c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 15:56:36   146.368500  +4.19  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 15:58:12    91.553956  +4.01  -15.33c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 15:59:00   196.633602  +4.26  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 15:59:51     9.145221  +3.39  -15.27c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 16:00:56    16.166272  +3.50  -14.79c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 16:01:44    88.589062  +4.01  -15.39c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 16:02:31   314.495460  +4.47  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 16:03:19    27.771933  +3.67  -15.16c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 16:04:04    19.433761  +3.61  -15.00c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 16:04:49    22.753142  +3.60  -15.47c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 16:05:35    13.004337  +3.56  -15.39c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 832 16:06:21   618.616949  +4.67  -15.59c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 833 16:07:03   290.578749  +4.44  -15.10c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 16:07:50   447.724730  +4.56  -15.49c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 16:08:37   341.828033  +4.46  -15.42c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 16:09:24    59.070887  +3.82  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 16:10:10    83.091613  +3.97  -15.23c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 838 16:10:54    13.809522  +3.55  -15.57c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 16:12:46    67.709588  +3.97  -15.27c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 16:15:08    -8.072875  +3.11  -14.77c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 16:17:58    26.616306  +3.63  -15.35c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 16:18:43   318.530372  +4.47  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 16:19:36   134.415696  +4.17  -15.40c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 16:20:24     4.159971  +3.49  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 16:21:10   198.361174  +4.32  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 16:21:57   564.886419  +4.72  -15.15c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 16:22:48   587.032632  +4.75  -15.49c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 16:23:52    93.695344  +4.04  -14.80c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 16:25:20   101.049304  +4.07  -15.38c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 16:26:26    53.690866  +3.87  -14.69c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 16:27:16   632.415811  +4.72  -15.05c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 16:28:41   129.278166  +4.10  -15.20c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 853 16:30:28   125.759504  +4.11  -14.81c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 16:32:10   135.006500  +4.15  -15.23c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 855 16:34:04     5.677734  +3.43  -14.94c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 856 16:34:58    23.117187  +3.60  -15.06c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 16:35:58    77.525265  +3.93  -15.09c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 16:37:21    15.680152  +3.54  -14.86c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 16:38:12   156.312516  +4.19  -15.23c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 16:38:58    74.370536  +3.92  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 16:39:47    19.347424  +3.52  -15.20c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 16:40:34    51.971514  +3.80  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 16:41:20    45.100546  +3.83  -15.03c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 16:42:05   163.577780  +4.19  -15.14c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 16:43:18   236.974157  +4.31  -15.33c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 16:44:29   440.714253  +4.52  -15.05c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 16:46:01    86.415379  +3.93  -14.76c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 868 16:46:57    95.077706  +4.02  -15.49c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 869 16:48:07   175.711105  +4.19  -14.70c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 16:49:53    -9.541441  +3.13  -14.81c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 16:52:21  1016.352160  +4.80  -15.31c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 16:53:38   523.408769  +4.61  -14.59c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 16:54:51   640.078317  +4.66  -14.81c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 16:55:38    -7.991922  +3.04  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 16:57:01   511.193958  +4.58  -15.11c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 876 16:57:43   200.781307  +4.24  -15.28c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 16:59:02   112.076499  +4.01  -15.17c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 878 17:00:17     3.869132  +3.28  -14.58c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 17:01:14     6.438337  +3.32  -14.81c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 880 17:02:00    29.572705  +3.62  -15.42c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 881 17:02:51   418.762716  +4.53  -15.27c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 17:04:10    21.046531  +3.55  -14.86c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 17:05:18   357.800522  +4.47  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 17:06:40     8.352863  +3.36  -15.23c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 17:08:19   237.718495  +4.34  -14.43c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 17:09:40    97.840959  +4.04  -14.80c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 887 17:10:53    69.075199  +3.87  -15.16c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 888 17:12:10   210.656133  +4.31  -14.68c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 889 17:13:47  1467.206957  +5.05  -14.99c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 890 17:14:50    20.483080  +3.59  -14.77c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 17:16:04    66.962422  +3.92  -14.68c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 892 17:17:10    20.678252  +3.54  -14.74c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 893 17:18:26     9.969331  +3.46  -14.92c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 894 17:19:45    28.781179  +3.60  -15.06c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 895 17:20:54    41.524670  +3.78  -14.94c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 896 17:21:38    56.062863  +3.89  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 17:22:27     4.008713  +3.32  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 898 17:23:17   677.786490  +4.76  -15.46c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 899 17:24:02   108.782875  +4.10  -15.04c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 900 17:24:47   -10.615250  +3.04  -15.41c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 17:25:31    49.037937  +3.84  -15.33c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 902 17:26:14    99.185442  +4.08  -15.31c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 903 17:27:23    90.073796  +4.03  -15.50c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 904 17:29:03    54.373337  +3.85  -14.75c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 905 17:30:48   117.278035  +4.14  -14.75c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 906 17:31:57   206.490648  +4.35  -15.45c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 907 17:32:44    -6.586648  +3.09  -15.44c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 908 17:33:29    10.095115  +3.51  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 909 17:38:03   -11.420578  +2.65  -2.08    -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 910 17:40:18   189.585654  +4.32  -14.80c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 911 17:41:03    11.681136  +3.53  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 17:41:56   100.826554  +4.09  -15.17c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 17:42:50    11.910098  +3.50  -14.80c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 17:44:19    66.418697  +3.94  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 915 17:45:24   362.815575  +4.55  -14.81c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 17:46:27   452.391432  +4.60  -14.94c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 917 17:47:41   170.388472  +4.26  -14.75c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 17:48:40  1127.717518  +4.93  -15.25c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 17:50:10   275.247498  +4.44  -14.70c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 920 17:51:03   228.226998  +4.38  -15.23c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 921 17:52:01    81.144885  +3.99  -14.59c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 17:52:49   241.301268  +4.39  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 17:53:36    45.575478  +3.84  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 924 17:54:43   246.274052  +4.40  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 17:56:23   125.467419  +4.13  -14.75c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 926 17:57:33     0.491398  +3.32  -14.54c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 17:58:31    19.764651  +3.62  -14.79c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 928 17:59:17    39.121316  +3.78  -15.13c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 929 18:00:24   102.512143  +4.09  -15.11c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 930 18:01:11   650.757581  +4.77  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 931 18:02:29   268.516174  +4.41  -15.08c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 932 18:03:39    92.522765  +4.03  -14.78c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 933 18:04:24   172.446990  +4.27  -15.42c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 18:05:15    44.292403  +3.82  -15.44c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 935 18:06:04    45.045554  +3.81  -15.36c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 936 18:07:00    57.035767  +3.91  -15.21c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 937 18:08:50    15.573216  +3.62  -14.85c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 938 18:09:40    44.744758  +3.86  -15.41c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 939 18:14:56   -20.874325  +1.45  -2.02    -2.0000          56
MOM has detected variational collapse, occupied orbitals have changed
iter: 940 18:17:01     6.696507  +3.45  -14.73c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 941 18:18:08    69.995312  +3.98  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 18:18:58   320.115930  +4.51  -15.32c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 943 18:20:28    -0.416220  +3.34  -15.42c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 944 18:21:16    21.080107  +3.61  -15.19c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 945 18:22:12    66.592711  +3.92  -15.17c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 946 18:23:39    -5.607263  +3.18  -15.43c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 947 18:24:22    -3.492672  +3.31  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 948 18:25:08    48.480824  +3.82  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 18:26:15    96.677961  +4.03  -14.72c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 18:26:59    37.197532  +3.74  -15.02c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 951 18:27:51    72.794305  +3.99  -15.41c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 952 18:29:04     2.434107  +3.39  -14.71c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 953 18:31:01    46.354627  +3.87  -14.70c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 954 18:32:30    23.277512  +3.64  -15.48c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 955 18:34:07    57.126409  +3.92  -15.57c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 956 18:35:15     1.328123  +3.39  -14.80c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 18:36:02   452.120858  +4.67  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 958 18:37:19    16.075059  +3.51  -15.30c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 18:38:43    84.038298  +4.03  -14.63c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 960 18:39:55    52.363222  +3.89  -15.06c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 961 18:41:01    23.645127  +3.67  -14.85c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 18:42:04    89.514993  +4.07  -14.63c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 963 18:43:47   271.074150  +4.45  -15.34c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 964 18:45:09    42.931390  +3.79  -14.88c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 965 18:46:44    99.891231  +4.09  -14.79c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 966 18:47:50    23.116400  +3.66  -14.74c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 967 18:48:59   134.660677  +4.22  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 968 18:49:59   288.164955  +4.48  -15.04c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 969 18:51:18   142.623194  +4.18  -14.95c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 970 18:52:33    70.093528  +3.93  -14.67c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 971 18:53:33   157.547486  +4.21  -15.28c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 972 18:54:41    27.947854  +3.66  -14.79c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 18:56:15    48.967643  +3.82  -15.29c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 18:57:04   233.325939  +4.35  -14.94c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 975 18:57:44    44.460074  +3.79  -15.37c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 976 18:58:56   431.811907  +4.57  -15.19c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 977 19:00:20   -10.711484  +3.06  -14.69c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 19:01:39   162.211905  +4.22  -14.48c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 979 19:03:04   477.021808  +4.58  -15.37c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 980 19:04:18    28.137715  +3.67  -14.82c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 981 19:05:13   188.844082  +4.26  -15.24c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 982 19:06:35   322.432638  +4.44  -15.02c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 983 19:07:37    83.780522  +3.98  -15.45c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 984 19:08:30    28.954664  +3.68  -15.27c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 985 19:09:34    64.038493  +3.87  -15.36c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 19:10:28    24.426613  +3.55  -14.79c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 19:11:33   546.047678  +4.63  -15.31c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 988 19:13:07   301.021416  +4.42  -14.73c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 19:15:08    -1.904829  +3.29  -14.77c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 990 19:15:55   149.203416  +4.16  -15.02c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 991 19:16:45    17.382824  +3.50  -15.44c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 19:17:53    81.556283  +3.98  -14.66c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 19:18:39    43.276860  +3.73  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 994 19:19:31   444.709503  +4.54  -15.31c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 995 19:20:37    13.042198  +3.63  -14.91c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 996 19:21:38    36.771379  +3.64  -15.42c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 997 19:22:49    10.887600  +3.64  -14.77c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 19:23:29    58.594615  +3.86  -15.46c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 19:24:12   281.348727  +4.42  -15.51c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 19:24:57    87.275829  +4.01  -15.25c   -2.0000          15
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


