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

User:   aes38@compute-38
Date:   Sat Sep 30 00:48:54 2023
Arch:   x86_64
Pid:    1048674
CWD:    /users/home/aes38/Rydberg/new/ethylene/Csic/eighthext
Python: 3.9.6
gpaw:   /users/home/aes38/new-gmf-gpaw/gpaw (f5d5d6d24c)
_gpaw:  /users/home/aes38/new-gmf-gpaw/build/lib.linux-x86_64-3.9/
        _gpaw.cpython-39-x86_64-linux-gnu.so (7a0e975e9f)
ase:    /hpcapps/source/ase_dev/ase (version 3.23.0b1-d4c62f2276)
numpy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/numpy (version 1.22.4)
scipy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/scipy (version 1.8.1)
libxc:  5.1.6
units:  Angstrom and eV
cores: 64
OpenMP: False
OMP_NUM_THREADS: 1

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

Initialize ...

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

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

Reference energy: -2105.216880  # eV

Spin-polarized calculation.
Magnetic moment: 0.000000

Convergence criteria:
 Maximum [total energy] change in last 3 cyles: 0.0005 eV / valence electron
 Maximum integral of absolute [dens]ity change: 0.0001 electrons / valence electron
 Maximum integral of absolute [eigenst]ate change: 4e-08 eV^2 / valence electron
 Maximum number of scf [iter]ations: 1000
 (Square brackets indicate name in SCF output, whereas a 'c' in
 the SCF output indicates the quantity has converged.)

Symmetries present (total): 1

  ( 1  0  0)
  ( 0  1  0)
  ( 0  0  1)

1 k-point (Gamma)
1 k-point in the irreducible part of the Brillouin zone
       k-points in crystal coordinates                weights
   0:     0.00000000    0.00000000    0.00000000          1/1

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

Occupation numbers: # Uniform distribution of occupation numbers 

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

Densities:
  Coarse grid: 132*144*148 grid
  Fine grid: 264*288*296 grid
  Total Charge: 0.000000 

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

Hamiltonian:
  XC and Coulomb potentials evaluated on a 264*288*296 grid
  Using the PBE Exchange-Correlation functional
  Interpolation: tri-quintic (5. degree polynomial)
  Poisson solver: FastPoissonSolver using
    Stencil: 6*3+1=19 point O(h^6) finite-difference Laplacian
    FFT axes: []
    FST axes: [0, 1, 2]
 

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 183.55 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. ... 1. 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: 272.74 MiB
  Calculator: 42.39 MiB
    Density: 11.28 MiB
      Arrays: 11.20 MiB
      Localized functions: 0.08 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 8.33 MiB
      Arrays: 8.33 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 22.77 MiB
      Arrays psit_nG: 19.69 MiB
      Eigensolver: 3.08 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

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

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

... initialized

Initializing position-dependent things.

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

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

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

  Lengths:  20.000000  21.847084  22.456465
  Angles:   90.000000  90.000000  90.000000

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

Initial localization: ...
Pipek-Mezey localization started
Pipek-Mezey localization finished
Done
     iter     time        total  log10-change:  magmom         iter
                         energy  eigst   dens             inner loop
iter:   1 00:57:24   -21.203780  +1.94  -1.85    +0.0000         115
MOM has detected variational collapse, occupied orbitals have changed
iter:   2 01:00:37   -20.179103  +0.02  -14.83c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:   3 01:01:15   -20.596743  -0.28  -14.83c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:   4 01:02:57   -20.418642  -0.43  -15.42c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:   5 01:04:29   -20.522939  -0.66  -15.00c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:   6 01:06:15   -20.275800  -0.79  -15.38c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:   7 01:09:52   -20.206254  -0.70  -15.15c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:   8 01:13:01   -20.718013  -0.69  -15.44c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:   9 01:14:24   -21.765866  -0.41  -15.23c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  10 01:16:54   -20.429164  -0.77  -15.20c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  11 01:19:00   -20.515074  -0.90  -15.21c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  12 01:19:59   -20.230367  -0.74  -15.26c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  13 01:20:37   -20.141345  -0.56  -15.15c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  14 01:24:51   -20.582792  -0.75  -2.76    -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  15 01:26:03   -20.660270  -0.61  -15.02c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  16 01:28:27   -20.241237  -0.33  -14.94c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  17 01:31:44   -20.406319  -0.03  -15.43c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  18 01:34:46   -20.355079  +0.12  -15.05c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter:  19 01:35:33   -20.541063  +0.35  -14.56c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  20 01:36:32   -20.883358  +0.55  -15.11c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  21 01:40:28   -20.720642  +0.42  -14.76c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  22 01:41:55   -20.497343  +0.52  -15.13c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  23 01:48:21   -20.349538  -1.08  -1.97    -0.0000          85
MOM has detected variational collapse, occupied orbitals have changed
iter:  24 01:49:53   -20.312734  -0.16  -14.79c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  25 01:50:57   -20.698079  +0.56  -14.99c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  26 01:51:58   -20.207182  +0.07  -15.28c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  27 01:53:06   -20.003625  +0.77  -15.54c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  28 01:53:48   -20.354070  +0.89  -15.35c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  29 01:58:28   -20.792319  -0.30  -2.08    -0.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter:  30 01:59:25   -20.473499  -0.10  -14.97c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  31 02:01:07   -20.270270  +0.49  -14.93c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  32 02:03:10   -20.465501  +0.47  -15.12c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  33 02:04:56   -20.534140  +1.07  -15.17c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  34 02:06:21   -22.144260  +0.15  -15.33c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  35 02:07:23   -21.394809  +0.47  -15.30c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  36 02:08:24   -21.882711  +0.61  -14.94c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  37 02:09:10   -21.554064  +0.89  -15.49c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  38 02:10:10   -21.443440  +0.44  -15.31c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  39 02:11:17   -21.396180  +1.39  -15.19c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  40 02:11:57   -20.781550  +1.36  -15.36c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  41 02:12:36   -20.460386  +1.12  -15.34c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  42 02:15:45   -20.495083  +1.70  -15.34c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  43 02:17:03   -20.202231  +0.67  -15.15c   -0.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter:  44 02:17:41   -20.100677  +1.86  -15.30c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  45 02:19:06   -18.927368  +2.46  -15.25c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  46 02:24:51   -19.807402  +1.08  -4.67c   -0.0000          63
iter:  47 02:27:23   -20.286184  -0.11  -2.29    +0.0000          73
MOM has detected variational collapse, occupied orbitals have changed
iter:  48 02:30:01   -21.031519  +1.30  -14.85c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  49 02:31:39   -20.306172  +1.30  -15.12c   +0.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter:  50 02:32:21   -19.765855  +1.93  -15.38c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  51 02:33:00   -18.862811  +2.47  -15.04c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  52 02:33:47   -15.701325  +3.03  -15.37c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  53 02:36:37   -18.359943  +2.50  -4.79c   +0.0000          32
iter:  54 02:37:03   -19.941884  +1.65  -1.97    +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  55 02:43:59   -20.355737  -0.21  -2.06    +0.0000          91
MOM has detected variational collapse, occupied orbitals have changed
iter:  56 02:44:59   -20.428659  +0.37  -14.93c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  57 02:46:43   -20.558485  +0.39  -14.94c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  58 02:47:32   -20.299107  +0.86  -14.92c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  59 02:48:36   -20.491141  +1.80  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  60 02:49:20   -19.913628  +1.95  -15.17c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  61 02:50:13   -20.096190  +1.94  -14.71c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  62 02:51:41   -21.094073  +1.64  -15.34c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  63 02:52:24   -20.855365  +1.71  -15.07c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  64 02:53:06   -21.421493  +1.59  -15.30c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  65 02:53:50   -21.003674  +2.18  -15.11c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  66 02:54:31   -19.676647  +2.48  -15.42c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  67 02:55:32   -21.059727  +1.80  -15.30c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  68 02:56:57   -21.089181  +1.65  -15.29c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  69 02:57:39   -20.510659  +1.89  -15.12c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  70 02:59:25   -19.523632  +2.55  -15.21c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  71 03:00:05   -20.344210  +1.95  -15.49c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  72 03:00:42   -21.190997  +2.02  -15.27c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  73 03:01:17   -22.480895  +0.92  -15.45c   +0.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter:  74 03:02:01   -21.473834  +1.82  -15.11c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  75 03:02:58   -21.010695  +1.85  -15.10c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  76 03:03:37   -20.188806  +1.70  -15.27c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  77 03:05:20   -20.333968  +1.98  -15.19c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  78 03:06:03   -19.339716  +2.49  -15.27c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  79 03:06:44   -19.901409  +1.83  -15.12c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  80 03:07:25   -19.138082  +2.72  -15.47c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  81 03:08:05   -20.792351  +1.56  -15.04c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  82 03:08:49   -20.788260  +2.20  -15.38c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  83 03:09:28   -20.617614  +1.85  -15.61c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  84 03:10:29   -19.998429  +2.17  -15.04c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  85 03:11:07   -19.430395  +2.54  -15.49c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  86 03:11:47   -17.394220  +2.91  -15.23c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  87 03:12:28   -16.621141  +3.01  -15.14c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  88 03:15:05   -10.504591  +3.22  -15.36c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  89 03:16:15   -15.923821  +2.98  -15.05c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  90 03:16:59   -15.602539  +3.17  -15.32c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  91 03:17:38   -19.764075  +2.54  -15.19c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  92 03:18:21   -16.012173  +3.07  -15.31c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  93 03:19:03    -9.696476  +3.51  -15.59c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  94 03:19:47   -15.445604  +3.15  -15.23c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  95 03:20:26   -16.311162  +3.00  -15.25c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  96 03:21:09   -13.545871  +3.28  -15.44c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  97 03:21:52    -6.600149  +3.54  -15.40c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  98 03:22:31     5.478487  +3.80  -15.27c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  99 03:23:12   -17.820754  +3.03  -15.41c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 100 03:23:54   -21.021694  +2.52  -15.27c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 101 03:24:34   -19.812886  +2.61  -15.35c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 102 03:25:19   -11.700483  +3.41  -15.20c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 103 03:26:03    -9.580354  +3.45  -15.22c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 104 03:26:42     9.078772  +3.86  -15.36c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 105 03:27:51    66.346430  +4.31  -15.34c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 106 03:31:18   177.446943  +4.62  -15.13c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 107 03:32:20   213.927068  +4.71  -15.53c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 108 03:33:22   115.093478  +4.45  -15.34c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 109 03:34:39   147.855773  +4.56  -14.64c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 110 03:35:25    -8.999498  +3.37  -15.13c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 111 03:36:09    -6.985957  +3.46  -14.98c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 03:37:12   -16.236489  +3.00  -15.46c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 113 03:40:31    19.909819  +3.97  -15.25c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 114 03:41:17   -15.713225  +2.98  -15.13c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 03:43:27   243.850640  +4.74  -15.31c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 03:44:14   209.951088  +4.70  -15.16c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 117 03:46:43   103.382521  +4.43  -14.89c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 118 03:47:47    76.274749  +4.32  -14.80c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 03:48:47     3.389266  +3.69  -14.88c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 03:49:59    14.546544  +3.93  -15.19c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 121 03:50:51    42.260545  +4.14  -14.76c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 122 03:51:35    -7.543858  +3.44  -14.94c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 03:52:39    -0.770846  +3.67  -15.44c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 124 03:53:40   217.676445  +4.71  -15.25c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 03:54:21    48.635446  +4.17  -15.50c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 03:55:02    36.518138  +4.09  -15.46c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 03:56:23    85.637376  +4.35  -15.27c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 128 03:57:15    23.167355  +3.96  -14.63c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 129 03:57:56   165.768359  +4.62  -15.62c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 130 03:59:34    71.272676  +4.29  -15.07c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 131 04:00:19    40.085796  +4.10  -15.33c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 132 04:01:07    51.143320  +4.19  -15.39c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 133 04:01:55   447.230201  +4.96  -15.40c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 134 04:03:52   153.663432  +4.55  -15.13c   +0.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 135 04:05:39   146.201280  +4.54  -14.71c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 136 04:06:51    42.457116  +4.11  -14.77c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 137 04:08:14    19.193095  +3.93  -14.62c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 138 04:08:55   133.768461  +4.51  -15.19c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 139 04:09:53   274.482420  +4.78  -14.45c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 140 04:10:53   108.544496  +4.42  -15.06c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 141 04:11:42   171.949611  +4.57  -15.45c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 142 04:12:31    64.658215  +4.22  -15.36c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 143 04:13:31   111.951295  +4.41  -14.62c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 144 04:14:17    24.182305  +3.92  -15.21c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 145 04:15:00    88.076448  +4.32  -15.49c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 146 04:15:41    33.439045  +4.02  -15.35c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 147 04:16:22    34.808944  +4.01  -15.08c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 148 04:17:03    23.062004  +3.95  -15.49c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 149 04:17:44   419.507489  +4.91  -15.23c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 150 04:18:23    15.835234  +3.85  -15.41c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 151 04:19:06    13.877482  +3.84  -15.39c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 152 04:20:08    50.501254  +4.15  -15.37c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 153 04:24:52   -25.169304  +2.00  -2.11    -0.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter: 154 04:25:47    79.511944  +4.28  -14.57c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 155 04:26:30   320.387750  +4.78  -15.26c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 156 04:27:18    33.222448  +4.02  -15.46c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 157 04:27:58    23.770713  +3.90  -14.91c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 158 04:28:41    37.525724  +4.03  -15.09c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 159 04:29:21    32.015162  +3.99  -15.37c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 160 04:30:02   236.756652  +4.68  -14.87c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 161 04:30:45    82.453684  +4.27  -15.03c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 162 04:31:27    25.515777  +3.93  -15.62c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 163 04:32:09   289.244218  +4.73  -15.31c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 164 04:32:54    -9.603753  +3.33  -15.29c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 165 04:33:34    56.961676  +4.16  -15.41c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 166 04:34:17    81.596406  +4.28  -15.20c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 167 04:35:01    27.410721  +3.97  -15.37c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 04:35:41    19.276294  +3.86  -15.43c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 169 04:36:23   238.980338  +4.63  -15.48c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 170 04:37:30    51.398885  +4.04  -15.37c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 171 04:38:54   376.577823  +4.82  -14.75c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 172 04:40:40    66.845236  +4.16  -14.87c   +0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 173 04:41:48    73.904747  +4.18  -14.45c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 174 04:42:36    85.219267  +4.26  -15.39c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 175 04:43:16    67.164168  +4.14  -15.22c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 176 04:44:00    70.170298  +4.16  -15.11c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 177 04:44:54   671.226470  +5.10  -15.30c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 178 04:46:01    81.986979  +4.27  -14.80c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 179 04:46:46   124.049658  +4.42  -15.34c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 180 04:47:36   281.613931  +4.73  -14.99c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 181 04:48:59   347.816585  +4.78  -14.57c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 182 04:49:59    95.774914  +4.27  -14.99c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 183 04:50:51   445.011680  +4.85  -15.52c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 184 04:51:46   490.405077  +4.86  -15.02c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 185 04:52:49   150.728162  +4.42  -14.85c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 186 04:53:49  1035.428254  +5.23  -14.86c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 187 04:55:16   247.497707  +4.65  -15.13c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 188 04:56:32   194.211217  +4.57  -14.67c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 189 04:57:49    48.788421  +4.06  -14.90c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 190 04:59:05   117.829293  +4.37  -14.79c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 191 05:00:09   470.884067  +4.88  -15.44c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 192 05:01:14   420.666703  +4.82  -15.10c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 193 05:02:21    37.696794  +3.97  -15.11c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 194 05:03:28    20.297953  +3.78  -14.66c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 195 05:04:17    25.756198  +3.84  -14.88c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 196 05:05:18   264.924134  +4.64  -14.85c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 197 05:06:21    -7.067253  +3.34  -14.65c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 198 05:07:04    -5.998145  +3.38  -15.34c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 199 05:07:46    -4.975825  +3.44  -15.22c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 200 05:09:05   117.594643  +4.37  -15.00c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 201 05:09:52   379.635896  +4.79  -15.45c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 202 05:12:47   594.686611  +4.93  -14.55c   +0.0000          61
MOM has detected variational collapse, occupied orbitals have changed
iter: 203 05:14:23   115.306292  +4.30  -14.98c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 204 05:15:29    16.727159  +3.69  -14.77c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 205 05:16:12   136.589883  +4.39  -15.43c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 206 05:17:21    53.865436  +4.03  -15.20c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 207 05:19:06   179.856407  +4.47  -14.94c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 208 05:19:54    33.526325  +3.90  -15.57c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 209 05:22:03   498.366333  +4.87  -14.77c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 210 05:23:16    63.544003  +4.09  -15.47c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 211 05:24:11     4.585395  +3.56  -14.64c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 212 05:25:01   129.035934  +4.33  -15.21c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 213 05:26:22   105.353132  +4.25  -14.76c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 214 05:27:40    28.156337  +3.83  -14.79c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 215 05:28:36    81.586250  +4.16  -15.12c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 216 05:29:17   103.856726  +4.23  -15.53c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 217 05:30:13   241.640965  +4.52  -14.69c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 218 05:30:55   256.427167  +4.53  -15.31c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 219 05:32:26    40.386355  +3.86  -14.86c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 220 05:33:49   471.362574  +4.75  -14.62c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 221 05:35:03    48.937060  +3.83  -15.43c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 222 05:36:20    56.308490  +3.93  -15.36c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 223 05:37:31   761.905190  +4.92  -14.86c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 224 05:38:15   147.054245  +4.28  -15.41c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 225 05:38:59   133.637218  +4.23  -15.25c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 226 05:40:06   181.201775  +4.34  -15.36c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 227 05:41:19    29.990390  +3.68  -15.34c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 228 05:42:23   -11.258766  +3.05  -14.89c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 229 05:43:15    26.767317  +3.74  -14.82c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 230 05:44:38    59.876266  +3.97  -15.49c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 231 05:45:40    27.421325  +3.76  -15.44c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 232 05:46:32    70.545828  +4.04  -14.43c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 233 05:47:22   575.115380  +4.80  -15.55c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 234 05:48:04     9.682971  +3.55  -15.32c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 235 05:48:50    -9.735117  +3.20  -15.26c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 236 05:49:29    29.225261  +3.78  -15.38c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 237 05:50:11    13.714448  +3.63  -15.34c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 238 05:50:55   -12.679817  +3.17  -15.26c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 239 05:51:39     2.266603  +3.51  -15.15c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 240 05:52:17    21.143501  +3.81  -15.27c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 241 05:53:00    20.669821  +3.74  -15.09c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 242 05:53:42    39.201033  +3.88  -15.01c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 243 05:54:23    52.168437  +3.98  -15.41c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 244 05:55:09    54.450002  +3.99  -15.09c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 245 05:56:20    52.028675  +3.91  -15.47c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 246 05:58:09    -5.769558  +3.27  -15.48c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 247 05:58:55   -13.946759  +3.03  -15.11c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 248 05:59:39    17.458358  +3.69  -15.32c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 249 06:00:19    20.865742  +3.72  -15.12c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 250 06:01:02    -3.880056  +3.45  -15.16c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 251 06:01:44    85.266591  +4.10  -15.51c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 06:02:35    31.981032  +3.82  -14.78c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 253 06:03:21    24.011956  +3.80  -15.33c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 254 06:04:05     9.625275  +3.64  -15.35c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 06:04:48    35.524443  +3.79  -15.46c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 256 06:05:33    12.820625  +3.63  -15.53c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 257 06:06:13    64.717242  +4.02  -15.57c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 258 06:07:02    86.516921  +4.08  -15.53c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 06:07:45    20.817197  +3.66  -15.31c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 260 06:08:40     3.023672  +3.48  -14.81c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 261 06:09:21    23.788722  +3.67  -15.32c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 06:10:02    16.180085  +3.64  -15.21c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 263 06:10:44     8.992073  +3.59  -15.52c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 264 06:11:25    30.349885  +3.79  -14.99c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 265 06:12:05    87.643492  +4.04  -15.12c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 266 06:12:45    41.827393  +3.85  -15.39c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 267 06:14:12    28.797656  +3.72  -15.59c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 268 06:15:21     9.229584  +3.48  -14.94c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 269 06:16:52   105.008468  +4.11  -15.40c   -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 270 06:19:12    76.353366  +3.95  -15.15c   +0.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 271 06:21:05     4.076918  +3.22  -14.56c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 272 06:22:23   115.005312  +4.10  -14.69c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 273 06:23:55    40.129887  +3.72  -14.75c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 274 06:25:07    49.295218  +3.78  -14.66c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 275 06:26:01   153.922023  +4.23  -15.43c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 276 06:26:45   430.828152  +4.62  -15.20c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 277 06:27:46    56.593411  +3.84  -15.46c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 278 06:30:02   322.714406  +4.51  -15.13c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 279 06:31:27    42.713996  +3.80  -14.81c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 280 06:33:02    24.047903  +3.62  -15.03c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 281 06:33:53    27.538313  +3.71  -15.44c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 282 06:34:52  1554.579861  +4.99  -15.31c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 283 06:36:11    67.794014  +3.91  -14.72c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 06:37:17    72.517264  +3.95  -14.38c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 06:39:07    83.719616  +3.98  -15.21c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 06:40:08   110.678233  +4.08  -14.91c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 287 06:41:13   140.511310  +4.17  -15.23c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 06:41:55    49.021386  +3.80  -15.30c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 289 06:42:36   924.718814  +4.83  -15.17c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 290 06:43:34   127.222661  +4.12  -14.83c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 291 06:44:22    39.865261  +3.77  -14.91c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 292 06:45:14     7.141281  +3.41  -15.38c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 293 06:46:04    19.195172  +3.64  -15.22c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 294 06:47:50   152.856902  +4.19  -15.21c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 06:48:30    -7.021110  +3.22  -15.43c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 06:49:16     5.174081  +3.49  -15.01c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 297 06:50:00    33.642276  +3.69  -15.47c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 06:50:47  1264.898648  +4.92  -15.39c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 06:52:06   260.673045  +4.36  -15.48c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 06:52:57   112.072418  +4.07  -15.00c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 06:53:50    26.288816  +3.60  -15.32c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 06:54:37   210.801030  +4.29  -15.17c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 303 06:55:41    71.659622  +3.91  -15.11c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 06:56:42    91.078047  +3.98  -14.52c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 06:57:59    11.792493  +3.36  -15.33c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 06:59:14   200.559390  +4.28  -14.49c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 307 07:00:58    78.688953  +3.92  -14.93c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 308 07:02:15     6.770889  +3.36  -14.86c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 309 07:03:26    43.996120  +3.74  -14.77c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 310 07:04:23   197.782762  +4.26  -14.81c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 311 07:05:43    60.408082  +3.81  -15.26c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 07:06:50    51.081068  +3.79  -14.73c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 313 07:07:46    11.932382  +3.42  -14.88c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 314 07:08:51    57.284035  +3.83  -14.96c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 315 07:10:31    25.250964  +3.59  -15.26c   -0.0000          51
MOM has detected variational collapse, occupied orbitals have changed
iter: 316 07:11:30   520.388925  +4.63  -14.77c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 07:12:12   121.259035  +4.09  -15.36c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 318 07:13:34    41.042526  +3.71  -15.24c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 319 07:14:39    72.224365  +3.88  -14.68c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 320 07:15:51   693.553623  +4.72  -15.44c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 321 07:16:50    -2.441763  +3.19  -15.03c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 322 07:17:38   679.019567  +4.71  -15.42c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 323 07:18:45   298.484350  +4.43  -15.14c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 324 07:19:44   187.631991  +4.26  -14.67c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 325 07:20:26   632.990683  +4.71  -15.15c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 326 07:21:36    62.934433  +3.88  -15.27c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 327 07:22:22    11.614900  +3.48  -15.18c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 328 07:23:06    -0.574337  +3.27  -15.37c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 329 07:23:49    60.555328  +3.91  -15.22c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 330 07:24:35   332.575445  +4.48  -15.11c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 331 07:25:17   410.404565  +4.57  -15.08c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 07:26:42    70.172749  +3.96  -15.30c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 333 07:27:29    48.390299  +3.80  -15.14c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 334 07:28:10   128.288242  +4.13  -15.04c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 335 07:28:49    16.822294  +3.55  -15.13c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 07:29:29    24.560180  +3.64  -15.33c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 337 07:30:09    90.056443  +4.00  -14.96c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 338 07:30:52    72.789209  +3.95  -15.40c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 07:31:36    11.179721  +3.65  -15.24c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 340 07:32:20    -6.119444  +3.41  -15.22c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 341 07:33:01    71.460397  +3.97  -15.17c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 342 07:33:42     8.583128  +3.50  -15.08c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 343 07:34:24    36.774870  +3.79  -15.31c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 344 07:35:06    30.310814  +3.73  -15.42c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 345 07:35:46    46.225633  +3.84  -15.48c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 346 07:36:26    76.551770  +3.99  -15.09c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 347 07:37:06     9.587976  +3.50  -15.31c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 07:37:52    92.783568  +4.07  -15.21c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 349 07:38:33     4.497511  +3.41  -15.30c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 07:39:13    55.671628  +3.90  -15.17c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 07:39:58   125.238055  +4.16  -15.26c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 07:40:39    14.241173  +3.61  -15.36c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 353 07:41:20    24.613720  +3.76  -15.35c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 07:42:00    34.053953  +3.77  -15.31c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 355 07:42:42     9.999300  +3.59  -15.10c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 356 07:43:24    28.584380  +3.79  -15.32c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 357 07:44:07    -8.643491  +3.15  -15.34c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 07:44:50    66.849194  +3.98  -15.24c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 07:45:34    -0.957347  +3.41  -15.13c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 07:46:17    16.165617  +3.70  -15.30c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 361 07:47:04    99.431400  +4.13  -15.37c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 07:47:48    10.952704  +3.59  -15.21c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 363 07:48:32    15.365428  +3.67  -15.41c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 364 07:49:19    24.652312  +3.68  -15.25c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 365 07:50:05   -11.736385  +3.20  -15.39c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 366 07:50:50    29.631055  +3.80  -14.99c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 367 07:51:36     9.303219  +3.62  -15.33c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 368 07:52:20    58.599512  +3.99  -15.06c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 369 07:53:02    44.744221  +3.91  -15.27c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 370 07:53:49    60.414028  +3.98  -15.14c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 371 07:54:39     5.939662  +3.52  -15.26c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 372 07:55:23    20.346512  +3.77  -15.47c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 07:56:06    69.954037  +4.05  -15.47c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 374 07:56:48    96.078536  +4.14  -15.25c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 375 07:57:33    18.795287  +3.71  -15.35c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 07:58:13    90.572164  +4.14  -15.21c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 377 07:58:58    20.774383  +3.74  -15.23c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 07:59:40    51.442572  +3.95  -15.23c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 08:00:25   123.104921  +4.25  -15.50c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 380 08:01:08   131.706139  +4.28  -15.36c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 08:01:53    61.643394  +4.00  -15.25c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 382 08:02:41    40.448270  +3.89  -15.06c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 383 08:03:24   151.879696  +4.33  -15.19c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 384 08:04:13    53.370212  +3.99  -15.21c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 08:04:59   103.855268  +4.21  -14.94c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 386 08:05:43   102.564256  +4.19  -15.19c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 08:06:30   235.785184  +4.51  -15.34c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 388 08:07:14   156.711831  +4.36  -15.27c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 389 08:08:00    84.116914  +4.12  -14.84c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 08:08:46   153.842950  +4.36  -15.46c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 391 08:09:30    54.023558  +3.99  -15.46c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 392 08:10:16   142.590774  +4.32  -15.43c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 393 08:11:01    34.618608  +3.83  -15.40c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 394 08:11:47    20.676121  +3.71  -15.20c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 08:12:31    59.265777  +4.02  -15.40c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 396 08:13:18    32.008443  +3.84  -15.40c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 397 08:14:04    50.707401  +3.96  -15.41c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 398 08:14:49    11.169354  +3.64  -15.28c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 08:15:37    16.296921  +3.74  -15.39c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 400 08:16:25    57.292878  +3.99  -15.03c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 401 08:17:09     8.064996  +3.60  -15.08c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 08:17:56    26.231480  +3.79  -15.55c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 08:18:40    -3.058021  +3.37  -15.05c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 08:19:21    86.149368  +4.10  -15.19c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 08:20:07    -3.434489  +3.39  -15.02c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 08:20:57   149.321852  +4.28  -15.44c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 08:21:45     5.079282  +3.53  -15.16c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 08:22:33    31.010993  +3.81  -15.34c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 409 08:23:17    76.346661  +4.06  -15.41c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 410 08:23:57    23.492310  +3.76  -15.46c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 411 08:26:47    60.202879  +3.97  -15.25c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 412 08:28:46    27.353868  +3.74  -14.97c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 413 08:30:03    30.380726  +3.79  -14.89c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 08:30:53    81.031467  +4.07  -15.46c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 415 08:32:08   380.290632  +4.63  -14.56c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 416 08:33:08    19.346771  +3.67  -14.85c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 08:33:57    23.695542  +3.70  -15.45c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 418 08:34:36    11.393211  +3.56  -15.51c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 419 08:35:20  1541.876024  +5.07  -15.46c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 08:37:53  1034.174455  +4.94  -15.59c   +0.0000          58
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 08:39:34   469.733823  +4.67  -14.88c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 08:41:09   171.732108  +4.28  -14.98c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 423 08:42:26   522.552795  +4.73  -14.78c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 08:43:41   380.295338  +4.59  -15.39c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 425 08:44:38   133.480630  +4.16  -15.27c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 08:46:05   362.834484  +4.57  -14.50c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 08:47:07   248.686816  +4.44  -15.29c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 428 08:48:30   125.692380  +4.19  -14.83c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 08:49:47    45.753022  +3.84  -15.02c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 08:51:45    22.915085  +3.63  -14.53c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 08:52:35   122.669698  +4.20  -15.35c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 432 08:53:19   273.779610  +4.50  -15.45c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 08:54:36    28.145855  +3.72  -14.59c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 434 08:55:49    35.441478  +3.78  -14.60c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 08:56:59    74.988242  +4.05  -14.69c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 08:58:12    89.242822  +4.12  -14.97c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 08:59:15    81.127560  +4.07  -14.63c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 438 09:00:21    59.351346  +3.96  -15.08c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 439 09:01:07    34.835803  +3.78  -15.14c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 09:02:27     3.446288  +3.35  -15.45c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 441 09:03:34    17.918024  +3.61  -14.91c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 442 09:04:39    55.366200  +3.96  -14.98c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 443 09:05:24  1064.754421  +5.00  -15.42c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 09:07:58    34.537536  +3.71  -14.69c   +0.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 09:09:33  1012.744083  +4.93  -15.48c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 446 09:10:46   289.144756  +4.48  -14.46c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 447 09:11:31   179.827090  +4.30  -15.21c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 448 09:13:08   123.382860  +4.15  -14.90c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 449 09:14:28   135.272036  +4.20  -14.79c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 09:15:42    42.946374  +3.78  -14.96c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 09:16:48    -0.296886  +3.23  -14.80c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 09:18:10    29.936005  +3.71  -14.62c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 453 09:19:19    -0.189716  +3.28  -14.77c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 09:20:11   154.419776  +4.28  -15.17c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 455 09:21:39   181.644614  +4.34  -14.78c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 456 09:22:39   286.680650  +4.52  -14.67c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 457 09:23:39    -7.037728  +3.01  -14.45c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 458 09:24:34    11.462652  +3.43  -15.10c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 459 09:25:40    82.165378  +4.03  -14.73c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 460 09:26:42    82.462307  +4.07  -14.74c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 09:27:50    38.771403  +3.83  -14.66c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 09:28:55     1.202636  +3.38  -14.83c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 463 09:30:01    22.637173  +3.70  -15.41c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 464 09:31:22    48.593839  +3.92  -14.49c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 09:32:28    10.902219  +3.43  -15.01c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 466 09:33:20    25.997118  +3.69  -15.47c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 09:34:33     2.768113  +3.21  -14.79c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 09:35:57    56.068223  +3.94  -15.29c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 09:37:41   144.022071  +4.31  -14.87c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 470 09:39:00   205.215680  +4.42  -14.52c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 471 09:41:48    93.556274  +4.08  -14.56c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 09:43:27   146.851650  +4.29  -14.77c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 09:44:32   125.461118  +4.24  -15.30c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 09:45:54    26.350506  +3.73  -14.69c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 09:47:21    84.060001  +4.14  -14.96c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 09:48:09    20.061565  +3.73  -15.54c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 477 09:49:08    56.070936  +4.01  -14.72c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 09:50:02    17.522945  +3.72  -14.73c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 09:50:46     8.972558  +3.61  -15.24c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 09:51:27    58.862149  +4.03  -15.10c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 481 09:52:11   206.129249  +4.46  -15.09c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 482 09:53:11    76.741671  +4.09  -14.49c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 483 09:54:08    18.804349  +3.70  -14.73c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 484 09:54:54    -3.978047  +3.39  -15.26c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 09:55:37    84.042928  +4.12  -15.26c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 486 09:56:17   311.615153  +4.58  -15.55c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 487 09:57:16   182.218148  +4.40  -15.01c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 488 09:58:12    34.065791  +3.85  -14.50c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 489 09:59:00   165.541497  +4.34  -15.13c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 09:59:52    46.097395  +3.91  -14.64c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 491 10:00:45   174.101019  +4.34  -15.03c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 10:01:36     6.317564  +3.53  -14.87c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 493 10:02:20    22.821544  +3.73  -15.42c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 494 10:03:00    82.685706  +4.07  -15.01c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 495 10:03:40    25.587212  +3.73  -15.25c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 496 10:04:22   215.881006  +4.41  -15.32c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 10:05:03    53.446272  +3.91  -15.29c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 10:05:46   107.963295  +4.15  -15.42c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 10:06:57   113.980375  +4.16  -15.05c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 500 10:07:42    37.791534  +3.79  -15.12c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 10:09:01    35.313091  +3.78  -14.75c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 10:10:07   226.553024  +4.39  -15.48c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 10:11:27   182.610483  +4.32  -15.15c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 504 10:12:42   293.996783  +4.49  -14.95c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 505 10:14:46   260.890869  +4.41  -14.82c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 506 10:16:06   142.553518  +4.17  -15.41c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 507 10:17:27   326.321225  +4.47  -14.96c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 10:19:00     4.436216  +3.25  -14.94c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 509 10:20:06     3.651354  +3.19  -14.74c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 510 10:21:45   104.053315  +4.04  -14.94c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 511 10:23:29   206.797463  +4.32  -14.78c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 512 10:25:08    28.009071  +3.63  -15.05c   -0.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter: 513 10:26:11     4.443615  +3.44  -14.76c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 10:27:06   125.847807  +4.17  -14.54c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 515 10:28:00   203.558615  +4.35  -14.62c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 10:28:38    17.576354  +3.62  -15.00c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 517 10:29:44   396.625100  +4.58  -15.51c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 10:30:27    61.423101  +3.88  -15.11c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 10:31:12    71.543818  +3.96  -15.45c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 520 10:31:58   304.171772  +4.47  -15.03c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 521 10:33:05   191.971928  +4.29  -14.63c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 522 10:34:53   438.447926  +4.58  -14.48c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 523 10:36:32   424.082586  +4.55  -14.75c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 524 10:37:35   157.060902  +4.18  -14.67c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 525 10:38:32   167.353276  +4.22  -14.54c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 526 10:40:09   457.583743  +4.60  -14.77c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 10:41:10   272.081612  +4.41  -14.80c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 10:42:17   124.676003  +4.12  -15.26c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 10:43:25    56.601402  +3.80  -15.19c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 10:44:39   163.811823  +4.22  -14.60c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 10:45:36   231.030809  +4.35  -14.90c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 10:46:33   363.691803  +4.52  -14.61c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 10:47:48   164.084561  +4.21  -15.00c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 534 10:48:49     2.858595  +3.33  -14.84c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 535 10:49:38    33.237481  +3.71  -15.44c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 536 10:51:14  2069.861085  +5.10  -14.47c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 537 10:52:17    73.145935  +3.94  -14.54c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 538 10:53:35    10.740590  +3.52  -14.80c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 10:54:15    -1.151375  +3.36  -15.26c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 540 10:54:55    42.818321  +3.84  -15.51c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 541 10:55:36    21.178678  +3.71  -15.54c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 542 10:57:45    27.559862  +3.66  -15.06c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 543 10:58:56    44.155306  +3.81  -15.38c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 544 11:01:01    86.961772  +4.04  -14.50c   -0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 545 11:02:07    61.499522  +3.93  -14.70c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 546 11:02:49   165.843506  +4.25  -15.41c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 547 11:03:32   142.888482  +4.20  -15.17c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 548 11:04:32    18.295929  +3.56  -14.85c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 549 11:05:19   135.967236  +4.17  -15.36c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 11:06:09    68.714402  +3.94  -15.21c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 551 11:06:56   225.502663  +4.37  -15.50c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 552 11:07:53     4.989581  +3.37  -14.79c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 553 11:09:27     9.130364  +3.43  -15.33c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 11:10:26    56.951870  +3.89  -14.85c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 555 11:11:07   170.851420  +4.26  -15.45c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 11:11:54    28.084640  +3.68  -15.06c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 11:14:32    27.207375  +3.66  -15.33c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 11:15:48    37.623548  +3.75  -15.03c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 559 11:17:20   151.460352  +4.22  -15.34c   +0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 560 11:18:27   198.317657  +4.33  -14.63c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 11:19:46   180.141600  +4.28  -14.74c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 562 11:20:43   221.057384  +4.38  -15.29c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 11:22:38   202.929954  +4.34  -14.48c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 11:23:30   243.819689  +4.40  -15.17c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 565 11:24:38     4.973070  +3.38  -14.60c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 566 11:25:43   259.733633  +4.40  -14.96c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 11:27:04     3.998012  +3.39  -14.67c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 568 11:28:04   296.176154  +4.43  -15.13c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 11:29:16   186.442768  +4.24  -15.65c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 570 11:30:50   164.546070  +4.18  -14.39c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 11:35:21    40.809524  +3.31  -1.88    +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 11:37:08   228.199370  +4.31  -14.73c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 11:38:48   130.935936  +4.07  -15.04c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 11:39:52   162.140123  +4.17  -15.21c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 575 11:41:18   682.620839  +4.70  -15.18c   +0.0000          42
MOM has detected variational collapse, occupied orbitals have changed
iter: 576 11:42:18   722.495862  +4.72  -15.14c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 577 11:43:59   467.643778  +4.56  -15.43c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 11:45:27   215.436811  +4.28  -14.74c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 579 11:46:32   280.809881  +4.40  -14.65c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 580 11:47:21     2.260975  +3.29  -15.59c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 581 11:48:29   578.132287  +4.67  -14.80c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 582 11:49:46    72.722645  +3.91  -14.61c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 11:50:40    37.262056  +3.73  -14.74c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 584 11:51:24    46.087721  +3.79  -15.15c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 11:52:06   127.349058  +4.15  -15.28c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 11:52:51    22.053997  +3.60  -15.39c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 11:53:38   200.582618  +4.33  -15.27c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 11:54:21   705.558631  +4.78  -15.07c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 11:55:05    93.426175  +4.03  -15.31c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 11:56:06    16.282650  +3.56  -15.27c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 591 11:56:46    13.012032  +3.53  -15.37c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 592 11:57:34   261.633630  +4.43  -15.45c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 11:58:17    64.258809  +3.94  -15.15c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 594 11:59:06    12.314828  +3.52  -15.13c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 595 11:59:50     6.820267  +3.46  -15.32c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 596 12:00:36    -5.783771  +3.13  -15.31c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 597 12:01:24    12.908299  +3.56  -15.51c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 598 12:02:09    -6.505598  +3.01  -15.25c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 599 12:02:56    57.502398  +3.94  -15.34c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 600 12:04:14    63.765025  +3.99  -14.98c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 601 12:05:41    18.598975  +3.62  -15.34c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 602 12:06:22   513.233560  +4.74  -15.46c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 603 12:07:19    64.113009  +3.98  -14.68c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 604 12:08:01   199.011806  +4.36  -15.46c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 605 12:08:39   700.101573  +4.80  -15.05c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 606 12:09:15    82.916864  +3.99  -15.26c   +0.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 607 12:10:13    73.022314  +3.97  -14.90c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 608 12:11:00    43.218016  +3.78  -14.98c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 12:13:13    23.835564  +3.57  -15.28c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 610 12:14:11    61.698639  +3.89  -15.02c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 611 12:15:08    72.087889  +3.97  -14.77c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 12:15:46    64.854915  +3.92  -15.31c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 613 12:16:31    23.266425  +3.66  -15.26c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 614 12:17:12   404.848318  +4.60  -15.20c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 615 12:18:14    12.411724  +3.50  -15.38c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 616 12:18:56    72.732444  +3.97  -15.21c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 617 12:19:34    10.104651  +3.48  -15.47c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 618 12:20:27     7.571317  +3.40  -14.71c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 12:21:29     6.050769  +3.37  -15.06c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 620 12:22:52    -3.187190  +3.23  -15.08c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 621 12:24:17    43.518962  +3.82  -15.19c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 622 12:25:00    44.270137  +3.80  -15.38c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 12:26:00    22.665043  +3.63  -15.39c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 12:27:02    41.825618  +3.77  -15.47c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 625 12:28:05     4.674604  +3.41  -15.07c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 12:28:43   118.151024  +4.15  -15.48c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 12:30:10    22.311854  +3.67  -15.49c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 12:31:14   -12.571566  +3.09  -15.44c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 629 12:32:38   183.305357  +4.28  -14.90c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 630 12:33:47    72.499174  +3.93  -15.28c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 631 12:34:31   248.000972  +4.37  -15.37c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 12:36:14   348.402918  +4.48  -15.40c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 633 12:37:23   234.828576  +4.35  -14.70c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 12:38:25    32.416144  +3.61  -15.25c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 635 12:39:18    26.458743  +3.57  -15.00c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 636 12:40:32   168.028410  +4.22  -15.27c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 637 12:41:22   135.319073  +4.13  -15.47c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 638 12:42:20   338.020265  +4.46  -14.96c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 639 12:43:11   445.683867  +4.55  -14.73c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 640 12:44:34    46.486709  +3.75  -15.05c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 12:45:15    35.887484  +3.68  -15.34c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 642 12:46:18    43.074636  +3.72  -15.42c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 643 12:47:23   465.258378  +4.58  -15.43c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 12:48:50    31.924433  +3.65  -15.57c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 645 12:49:55    22.812259  +3.58  -15.48c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 646 12:50:36    87.404164  +3.97  -15.02c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 12:51:16    46.335595  +3.76  -15.33c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 648 12:51:58    20.308454  +3.67  -15.56c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 649 12:52:38    64.849383  +3.88  -15.49c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 650 12:53:23   393.290410  +4.50  -15.38c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 651 12:54:13    26.679097  +3.64  -15.48c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 12:54:57    59.863168  +3.90  -15.46c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 653 12:55:34    49.138060  +3.76  -15.25c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 12:56:12    29.509465  +3.65  -15.32c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 655 12:57:00    36.253292  +3.72  -15.42c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 12:57:42    78.221844  +3.90  -15.46c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 12:59:05    28.452424  +3.62  -15.40c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 13:00:06     4.250795  +3.33  -15.06c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 13:00:52    25.231918  +3.68  -15.43c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 13:01:37    83.822866  +3.97  -15.18c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 13:02:20    42.568427  +3.82  -15.38c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 662 13:03:01    75.340867  +3.90  -15.07c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 663 13:03:46   495.047580  +4.60  -15.31c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 664 13:04:49   249.500749  +4.32  -15.12c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 13:05:38    29.478502  +3.77  -15.32c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 666 13:06:35    47.768563  +3.86  -15.03c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 667 13:07:36    56.266202  +3.80  -15.28c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 668 13:11:48    27.829594  +3.16  -1.97    -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 669 13:12:56   138.405667  +4.10  -14.56c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 13:15:05   110.612475  +4.00  -15.49c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 13:16:11    14.513881  +3.45  -15.11c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 672 13:17:13    25.833081  +3.59  -15.36c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 673 13:17:52    27.670130  +3.63  -15.10c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 674 13:19:36    27.619934  +3.59  -15.56c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 675 13:20:18    84.182052  +3.92  -15.06c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 676 13:21:16   175.529466  +4.15  -15.31c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 677 13:23:06    41.833543  +3.70  -15.26c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 678 13:23:52     2.552535  +3.35  -15.52c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 679 13:24:35    91.045319  +3.91  -15.26c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 680 13:26:18    62.470415  +3.83  -15.27c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 681 13:26:58    31.616321  +3.75  -15.43c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 13:27:39    66.461578  +4.15  -15.29c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 683 13:28:40    11.918268  +3.72  -15.04c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 684 13:29:39    43.186761  +3.77  -15.26c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 13:31:04    97.631915  +3.99  -15.53c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 686 13:31:47    60.228628  +3.85  -15.30c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 687 13:32:26    54.042050  +3.79  -15.02c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 688 13:33:29   399.576090  +4.45  -15.19c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 13:34:08    89.154123  +3.95  -15.50c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 690 13:35:12  1203.912390  +4.81  -15.38c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 691 13:39:16   338.089665  +4.40  -15.12c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 692 13:40:54   475.889245  +4.51  -15.17c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 693 13:42:26   394.323876  +4.44  -14.90c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 694 13:43:31   241.970176  +4.27  -15.35c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 13:44:36    -2.734804  +3.25  -15.39c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 13:45:18    -1.871000  +3.37  -15.39c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 697 13:45:59    10.344543  +3.43  -15.28c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 698 13:48:55    22.722005  +3.63  -15.43c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 13:49:59   103.380398  +3.98  -14.55c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 700 13:50:42   186.631507  +4.17  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 701 13:51:57    18.429813  +3.58  -14.80c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 702 13:52:41   316.209335  +4.38  -15.47c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 13:53:24   172.480823  +4.15  -15.48c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 704 13:54:08   102.009856  +3.97  -15.34c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 705 13:55:11   111.480877  +4.09  -15.31c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 706 13:56:13    57.711649  +3.80  -15.22c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 707 13:56:53    47.532869  +3.81  -15.21c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 708 13:57:37   118.026546  +4.06  -15.38c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 709 13:58:19   105.219342  +3.99  -15.29c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 13:58:59     7.797644  +3.44  -15.31c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 711 13:59:46    55.670832  +3.85  -15.29c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 14:00:24    81.060552  +3.91  -15.23c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 713 14:01:04    32.848478  +3.66  -15.04c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 14:02:05    56.233249  +3.93  -15.40c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 715 14:04:11     0.431039  +3.42  -15.22c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 716 14:05:37   275.128204  +4.38  -15.53c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 717 14:06:42     9.519739  +3.37  -15.27c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 718 14:07:23    23.673253  +3.51  -15.17c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 719 14:08:04    34.427815  +3.75  -15.45c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 14:08:44    52.386360  +3.83  -15.40c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 721 14:09:23    46.950573  +3.72  -15.41c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 722 14:10:03    62.632067  +3.78  -15.23c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 14:10:41    74.772163  +3.92  -15.39c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 724 14:11:21   415.591034  +4.53  -15.21c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 14:12:24    53.169446  +3.97  -15.20c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 726 14:13:08    70.597818  +4.08  -15.37c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 727 14:13:50   344.294950  +4.49  -14.99c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 728 14:15:39   451.541960  +4.52  -15.28c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 729 14:16:21     8.601541  +3.49  -15.16c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 730 14:17:23   168.494368  +4.20  -14.88c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 731 14:18:05    21.844024  +3.50  -15.38c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 732 14:18:47    91.291998  +3.95  -15.46c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 733 14:19:28    99.211083  +4.16  -15.44c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 734 14:20:07    24.369906  +3.71  -15.40c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 14:21:28    65.826391  +4.08  -15.43c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 14:22:32    57.811559  +3.76  -15.41c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 14:23:11    18.591319  +3.47  -15.24c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 738 14:23:53    -8.965436  +3.36  -15.48c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 14:24:33    44.724701  +3.74  -15.21c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 14:25:14   242.361028  +4.38  -15.19c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 14:26:15   101.908595  +4.00  -15.30c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 742 14:26:54   227.047414  +4.32  -15.45c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 743 14:27:35   111.916764  +3.99  -15.25c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 744 14:28:16    83.987547  +4.00  -15.23c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 745 14:28:59   786.541053  +4.77  -15.06c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 14:30:53   228.410399  +4.25  -15.43c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 14:31:50   282.852336  +4.30  -14.86c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 748 14:32:52   567.782852  +4.56  -14.84c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 749 14:33:49   450.335494  +4.48  -14.76c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 750 14:34:32   420.522131  +4.44  -15.36c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 14:35:24   739.112518  +4.61  -14.78c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 14:36:28    53.363110  +3.72  -15.41c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 753 14:37:29   121.496474  +4.00  -14.83c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 754 14:38:16    24.370079  +3.58  -15.04c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 755 14:39:00    84.437768  +4.02  -15.21c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 756 14:39:44    40.127423  +3.65  -15.30c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 757 14:40:28    18.881714  +3.49  -15.07c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 758 14:41:12    30.256001  +3.60  -15.35c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 759 14:41:55    13.407655  +3.38  -15.25c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 760 14:42:34    41.838228  +3.64  -15.37c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 14:43:17    16.057859  +3.41  -15.16c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 14:44:03  1088.924566  +4.78  -15.19c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 14:45:26   387.086304  +4.45  -14.86c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 764 14:46:39   219.955709  +4.26  -15.02c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 765 14:47:29    29.143479  +3.83  -15.40c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 14:48:29    92.395441  +4.06  -15.01c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 14:49:27    73.737182  +3.91  -14.75c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 768 14:50:06   102.995319  +3.95  -15.27c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 769 14:50:48   400.622295  +4.47  -15.11c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 14:51:32   136.116137  +4.05  -15.36c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 14:52:16   238.847894  +4.28  -14.97c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 772 14:53:00  1382.710012  +4.84  -15.26c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 773 14:55:02   202.006403  +4.25  -15.38c   +0.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 774 14:56:17    -6.674096  +3.22  -14.71c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 14:57:26   134.391801  +4.32  -14.89c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 14:58:12     1.056354  +3.43  -15.55c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 14:59:03    14.377928  +3.65  -15.45c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 778 14:59:46    85.807048  +3.94  -15.30c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 779 15:00:52    44.347372  +3.91  -14.71c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 780 15:02:10   115.345639  +4.03  -14.74c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 781 15:03:29    40.405023  +3.84  -15.02c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 782 15:04:50   128.939268  +4.16  -14.78c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 15:06:08   746.109997  +4.80  -15.01c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 15:06:55   207.886715  +4.28  -15.00c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 15:08:12   192.203965  +4.32  -14.87c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 786 15:09:25   855.698392  +4.78  -14.97c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 15:10:38   201.720141  +4.31  -14.76c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 15:11:55    25.907996  +3.66  -14.92c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 15:13:08   666.880222  +4.76  -14.48c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 15:14:53    40.015529  +3.71  -14.84c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 15:15:57   177.903391  +4.26  -14.91c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 15:18:01    68.114528  +3.94  -14.55c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 793 15:18:58    88.637306  +4.05  -15.32c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 15:20:07   133.576053  +4.21  -14.85c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 15:21:27   242.378422  +4.38  -14.71c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 15:22:47    64.944609  +3.90  -14.70c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 797 15:24:55   538.335613  +4.70  -14.72c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 798 15:27:24    10.633980  +3.32  -14.76c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 15:29:01   107.298795  +4.09  -14.80c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 15:30:51    36.335391  +3.70  -14.89c   -0.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 15:32:16     7.115563  +3.18  -14.98c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 15:33:05    44.055668  +3.82  -14.97c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 15:34:28    47.507456  +3.99  -15.20c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 15:35:44   143.483222  +4.21  -14.71c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 15:37:10   129.304289  +4.20  -14.84c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 15:38:21    18.460649  +3.48  -14.85c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 15:39:19   138.495250  +4.16  -14.68c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 15:40:16   175.705344  +4.26  -15.38c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 15:41:24   113.711297  +4.11  -15.02c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 15:42:28    31.000173  +3.74  -14.53c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 15:43:22    -7.307181  +3.02  -15.33c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 15:44:43    36.949106  +3.76  -14.91c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 15:46:05   145.061309  +4.21  -14.79c   +0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 15:47:10    80.569688  +4.12  -14.93c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 15:49:01   128.697494  +4.16  -14.76c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 15:50:03     6.858442  +3.37  -14.48c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 15:51:24    18.325259  +3.53  -14.28c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 15:52:35     0.778263  +3.26  -15.02c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 15:53:40    45.319613  +3.82  -14.79c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 15:54:24    24.625770  +3.59  -15.30c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 15:55:51    51.989812  +3.86  -14.86c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 15:56:48   127.717313  +4.15  -15.17c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 15:57:35    10.681322  +3.44  -15.28c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 15:58:52    93.608819  +4.00  -14.72c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 15:59:44   161.933732  +4.23  -15.22c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 16:01:41   199.489110  +4.30  -14.97c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 16:03:03   102.078703  +4.03  -14.73c   -0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 16:04:26   175.054765  +4.24  -14.95c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 16:06:06   639.789233  +4.70  -14.94c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 16:07:22   662.410745  +4.70  -14.78c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 16:08:39   346.132771  +4.46  -14.91c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 832 16:09:44   210.439662  +4.28  -14.38c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 833 16:11:00    81.009351  +3.97  -14.71c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 16:13:17   663.424295  +4.69  -14.98c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 16:14:23   762.432726  +4.73  -14.98c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 16:15:51   728.330233  +4.73  -15.35c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 16:17:08   446.684698  +4.58  -15.14c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 838 16:18:42   184.345167  +4.25  -14.68c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 16:19:43   679.853897  +4.71  -15.12c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 16:21:43   436.505513  +4.55  -14.86c   +0.0000          37
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 16:22:58   638.084836  +4.69  -14.96c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 16:24:09   207.104623  +4.28  -14.77c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 16:26:23   123.679463  +4.05  -15.12c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 16:27:30   360.075312  +4.50  -15.22c   +0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 16:29:00   179.413960  +4.22  -14.65c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 16:30:03   114.353856  +4.02  -14.93c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 16:31:05   299.502439  +4.41  -15.43c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 16:32:14   287.340227  +4.39  -15.26c   +0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 16:33:35   802.116935  +4.76  -15.46c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 16:34:56   991.992046  +4.85  -14.61c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 16:35:58   616.958636  +4.70  -14.85c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 16:37:03   325.046880  +4.45  -15.03c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 853 16:37:51   876.145145  +4.82  -15.41c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 16:38:42   527.576000  +4.63  -15.26c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 855 16:39:50  1390.575912  +4.92  -15.36c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 856 16:40:54    21.825613  +3.53  -14.61c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 16:41:55    83.281090  +3.91  -14.75c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 16:42:53    30.936063  +3.62  -15.54c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 16:44:03   586.497726  +4.66  -14.85c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 16:45:11  1302.859242  +4.91  -14.70c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 16:46:30   113.015424  +4.06  -14.76c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 16:48:05    88.488739  +4.01  -14.48c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 16:49:05   135.995411  +4.16  -14.66c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 16:51:15    24.250476  +3.58  -15.34c   +0.0000          58
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 16:52:29   236.717126  +4.37  -14.79c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 16:54:11  1804.611270  +5.03  -14.68c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 16:55:18  1096.059325  +4.95  -14.74c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 868 16:56:12   297.215942  +4.48  -14.91c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 869 16:57:31    12.087786  +3.48  -15.00c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 16:58:17   832.341949  +4.83  -15.18c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 16:59:23   220.956187  +4.34  -14.52c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 17:02:10   213.412004  +4.33  -15.09c   +0.0000          67
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 17:04:01  1057.308748  +4.95  -14.93c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 17:05:46   296.893397  +4.52  -14.45c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 17:06:52    18.161711  +3.57  -15.29c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 876 17:08:11    63.361117  +3.94  -15.29c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 17:09:31     4.908438  +3.20  -14.84c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 878 17:10:20   970.485402  +4.97  -15.42c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 17:11:39   103.527725  +4.11  -14.55c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 880 17:12:41   722.139165  +4.82  -15.06c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 881 17:14:30   370.853045  +4.60  -14.80c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 17:15:55  1562.137205  +5.08  -14.58c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 17:17:00   281.948233  +4.48  -15.04c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 17:19:13    13.929086  +3.47  -14.92c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 17:21:12   508.071214  +4.71  -14.66c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 17:22:28   118.660491  +4.15  -14.68c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 887 17:23:28    13.376584  +3.52  -15.58c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 888 17:24:36   464.681732  +4.70  -15.06c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 889 17:25:44   317.545630  +4.58  -14.98c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 890 17:26:48     2.439043  +3.39  -14.66c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 17:27:52   387.775599  +4.65  -14.79c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 892 17:29:30     5.086347  +3.41  -14.85c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 893 17:30:51    54.226795  +3.92  -14.83c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 894 17:32:10    70.433190  +4.03  -14.59c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 895 17:33:22   146.638177  +4.26  -14.44c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 896 17:34:24     2.934152  +3.38  -15.36c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 17:35:25    -3.098540  +3.18  -14.81c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 898 17:36:12   123.448094  +4.20  -15.29c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 899 17:37:12    26.371753  +3.71  -14.92c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 900 17:38:48    35.783448  +3.75  -15.06c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 17:39:58    -8.107062  +2.88  -14.53c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 902 17:40:51   262.917529  +4.48  -14.71c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 903 17:41:42   200.030559  +4.36  -15.21c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 904 17:42:37    18.887588  +3.59  -14.76c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 905 17:44:01    -1.893872  +3.26  -14.62c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 906 17:45:01   249.965239  +4.44  -14.85c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 907 17:46:15   466.592011  +4.67  -14.77c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 908 17:47:05    60.782415  +3.90  -15.32c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 909 17:47:49   272.942696  +4.44  -15.30c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 910 17:48:38   321.886566  +4.51  -15.16c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 911 17:49:58   319.078654  +4.51  -15.34c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 17:51:01    13.852403  +3.53  -14.73c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 17:53:06    92.059652  +4.01  -14.91c   -0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 17:54:33    -1.233838  +3.16  -14.60c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 915 17:55:36    41.193881  +3.70  -15.14c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 17:56:53    31.553721  +3.70  -14.65c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 917 17:57:39    15.020187  +3.52  -15.35c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 17:58:36    20.217856  +3.59  -14.76c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 18:00:04    61.121074  +3.88  -14.72c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 920 18:01:12   147.337549  +4.21  -14.78c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 921 18:02:03   467.358126  +4.64  -14.92c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 18:03:27   245.137066  +4.38  -15.25c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 18:04:52    97.072670  +4.07  -14.94c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 924 18:06:11    73.191735  +3.99  -14.88c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 18:07:29   126.715770  +4.18  -14.41c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 926 18:09:05  1790.052565  +5.18  -14.87c   +0.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 18:10:22   289.606545  +4.58  -14.81c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 928 18:11:33   154.489415  +4.37  -14.70c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 929 18:12:38    33.680761  +3.83  -14.81c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 930 18:14:10    40.302431  +3.91  -14.43c   -0.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 931 18:16:29   180.868890  +4.43  -14.70c   +0.0000          38
MOM has detected variational collapse, occupied orbitals have changed
iter: 932 18:18:03   210.769482  +4.51  -14.75c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 933 18:19:48   222.965716  +4.55  -15.26c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 18:20:55   158.258719  +4.41  -15.52c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 935 18:22:02   335.125313  +4.74  -14.66c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 936 18:23:26    92.132400  +4.22  -15.62c   -0.0000          40
MOM has detected variational collapse, occupied orbitals have changed
iter: 937 18:25:19   101.167429  +4.24  -14.96c   -0.0000          40
MOM has detected variational collapse, occupied orbitals have changed
iter: 938 18:26:37   227.385463  +4.58  -14.62c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 939 18:27:42    49.711399  +3.97  -14.86c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 940 18:29:21   337.997156  +4.71  -14.58c   +0.0000          37
MOM has detected variational collapse, occupied orbitals have changed
iter: 941 18:30:45   324.276699  +4.68  -14.80c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 18:32:09   281.156572  +4.65  -14.83c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 943 18:33:24   221.203468  +4.57  -14.84c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 944 18:34:35   172.265207  +4.48  -14.92c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 945 18:35:52   387.359161  +4.78  -14.95c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 946 18:37:17   387.191406  +4.83  -14.56c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 947 18:38:33   133.199101  +4.40  -14.69c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 948 18:39:53    13.606696  +3.66  -14.65c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 18:41:12    10.331070  +3.60  -14.99c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 18:42:27   137.321221  +4.44  -14.82c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 951 18:44:03    -6.707997  +3.24  -14.84c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 952 18:45:11    54.882361  +4.13  -14.87c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 953 18:46:02    11.063587  +3.69  -15.22c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 954 18:47:42   523.022622  +4.97  -15.33c   -0.0000          37
MOM has detected variational collapse, occupied orbitals have changed
iter: 955 18:48:49   207.570775  +4.63  -14.49c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 956 18:50:14   136.569454  +4.44  -14.45c   -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 18:51:37    22.301660  +3.78  -14.78c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 958 18:52:51     9.040848  +3.57  -14.44c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 18:54:04    16.691334  +3.69  -14.68c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 960 18:55:10    95.522122  +4.26  -15.27c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 961 18:56:30   144.103102  +4.45  -14.92c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 18:57:25    25.829356  +3.78  -15.15c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 963 18:58:45   198.540658  +4.59  -15.19c   +0.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter: 964 19:00:10   111.529598  +4.36  -14.76c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 965 19:01:29   237.372879  +4.69  -14.46c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 966 19:02:41   476.537608  +4.97  -14.84c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 967 19:03:49   208.087417  +4.66  -14.76c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 968 19:05:05    60.918522  +4.19  -14.70c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 969 19:06:22    14.795453  +3.73  -14.60c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 970 19:07:45   129.466583  +4.49  -14.50c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 971 19:09:13     9.729634  +3.69  -14.82c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 972 19:11:12    53.870902  +4.14  -14.86c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 19:12:34    21.193319  +3.87  -14.85c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 19:13:41    13.001034  +3.81  -14.54c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 975 19:15:25    39.790103  +4.08  -15.47c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 976 19:16:42    29.156245  +3.96  -15.09c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 977 19:17:52    27.277965  +4.01  -14.70c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 19:19:05    87.440473  +4.37  -14.55c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 979 19:20:42    -7.279914  +2.89  -14.90c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 980 19:21:58    22.089271  +3.85  -14.91c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 981 19:24:56    -2.216642  +3.58  -15.19c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 982 19:27:40    -7.299590  +3.37  -15.06c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 983 19:28:26   101.877606  +4.44  -15.17c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 984 19:29:45    66.027246  +4.25  -15.47c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 985 19:31:01   351.235610  +4.88  -14.62c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 19:32:38    89.477066  +4.35  -14.50c   +0.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 19:33:47    80.083889  +4.32  -14.83c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 988 19:34:52   219.343649  +4.65  -14.90c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 19:36:06    71.047596  +4.22  -14.62c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 990 19:37:24   266.303831  +4.72  -14.61c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 991 19:38:33    -4.567808  +3.29  -14.83c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 19:39:26    27.403649  +3.96  -15.59c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 19:40:26     0.568775  +3.59  -14.84c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 994 19:41:31    54.620773  +4.19  -14.84c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 995 19:42:31    21.327191  +3.90  -14.62c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 996 19:43:48    57.795564  +4.21  -14.80c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 997 19:44:51   289.494771  +4.78  -14.76c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 19:45:48    95.609332  +4.34  -14.99c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 19:46:57    94.370139  +4.33  -15.03c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 19:48:00    81.329936  +4.27  -14.72c   -0.0000          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


