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

User:   aes38@compute-57
Date:   Sun Oct 22 12:40:18 2023
Arch:   x86_64
Pid:    2637129
CWD:    /users/home/aes38/Rydberg/new/ethylene/sicfromreal/news
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 /users/home/aes38/Rydberg/new/ethylene/news/seventhext/triplet.gpw
Read dipole, energy, free_energy, magmom, magmoms
Reading input parameters:
  basis: aug-cc-pVDZ_PBE.sz
  convergence: {bands: occupied,
                density: 0.0001,
                eigenstates: 1e-06,
                energy: 0.0005}
  eigensolver: {blocksize: 1,
                converge_unocc: False,
                excited_state: True,
                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: True,
                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: {interpolation: 3,
         name: fd,
         nn: 3}
  nbands: -10
  occupations: {name: mom,
                numbers: [[1. 1. 1. ... 0. 0. 0.]
 [1. 1. 1. ... 0. 0. 0.]],
                update_numbers: True,
                use_fixed_occupations: False,
                use_projections: True}
  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: 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.)

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 

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

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

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

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

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

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 181.31 MiB
  Calculator: 31.00 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: 11.39 MiB
      Arrays psit_nG: 9.84 MiB
      Eigensolver: 1.54 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

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: 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: True,
                restart_canonical: True,
                restartevery_iloop_notconverged: 3,
                searchdir_algo: {'name': 'l-bfgs', 'memory': 3},
                use_prec: True}
  mode: {force_complex_dtype: True,
         interpolation: 3,
         name: fd,
         nn: 3}

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.)

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 

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

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
 

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: 244.64 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

Input parameters:
  occupations: {name: mom,
                numbers: [[1. 1. 1. ... 0. 0. 0.]
 [1. 1. 1. ... 0. 0. 0.]],
                update_numbers: True,
                use_fixed_occupations: False,
                use_projections: True}

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

Initialize ...

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

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

Reference energy: -2105.216880  # eV

Spin-polarized calculation.
Magnetic moment: 0.000000

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

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: 244.64 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 atomic densities
Creating initial wave functions:
  16 bands from LCAO basis set

              .------------------------------------------------.  
             /|                                                |  
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 *            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            |                  H                             |  
 |            |                                                |  
 |            |                HC                              |  
 |            |                 CH                             |  
 |            |                                                |  
 |            |                H                               |  
 |            |                                                |  
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 |            |                                                |  
 |            .------------------------------------------------.  
 |           /                                                /   
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 | /                                                /             
 |/                                                /              
 *------------------------------------------------*               

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

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

  Lengths:  20.000000  21.847084  22.456465
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:  magmom         iter
                         energy  eigst   dens             inner loop
iter:   1 12:45:46   -12.560298  +2.43  -14.89c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:   2 12:46:35   -17.506191  +2.13  -15.12c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:   3 12:47:22   -15.203512  +2.31  -15.17c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:   4 12:48:11   -12.272556  +2.50  -15.38c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:   5 12:49:08   -14.685752  +2.36  -14.80c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:   6 12:49:55   -17.728865  +2.15  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:   7 12:50:41   -14.584463  +2.33  -15.14c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:   8 12:51:26   -17.933745  +2.11  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:   9 12:52:14   -16.471261  +2.28  -15.43c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  10 12:53:06   -16.904052  +2.15  -15.35c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  11 12:53:53   -16.793915  +2.11  -15.47c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  12 12:54:50   -19.065021  +1.99  -15.19c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter:  13 12:55:37   -17.758954  +2.03  -15.35c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  14 12:56:29   -18.426246  +1.99  -15.44c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  15 12:57:14   -17.586670  +1.98  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  16 12:57:59   -17.466847  +2.12  -15.37c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  17 12:58:52   -20.049595  +1.95  -15.02c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  18 12:59:44   -18.304269  +2.04  -15.31c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  19 13:00:37   -18.118740  +2.02  -15.42c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  20 13:01:28   -18.582681  +1.92  -15.31c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  21 13:02:17   -18.967272  +1.99  -15.44c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  22 13:03:15   -19.667484  +1.96  -15.36c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter:  23 13:04:06   -17.238146  +2.06  -15.07c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  24 13:04:54   -17.948766  +1.91  -15.44c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  25 13:05:44   -16.753360  +2.26  -14.86c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  26 13:06:50   -17.816352  +2.11  -15.01c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  27 13:07:39   -19.275841  +2.01  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  28 13:08:27   -19.629336  +2.00  -15.09c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  29 13:09:16   -18.957775  +2.18  -14.76c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  30 13:10:02   -17.999239  +2.18  -15.22c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  31 13:10:46   -18.628083  +2.01  -15.36c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  32 13:11:35   -18.212374  +2.14  -14.95c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  33 13:12:22   -18.473205  +2.25  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  34 13:13:13   -15.001721  +2.39  -15.27c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  35 13:14:08   -14.927503  +2.70  -15.41c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter:  36 13:17:02   -13.312714  +2.69  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  37 13:17:52   -11.779936  +3.11  -15.44c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  38 13:18:44    -1.781965  +3.55  -15.41c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  39 13:19:49    -2.578225  +3.45  -14.69c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  40 13:24:15   -19.828827  +1.71  -1.94    -1.9946          32
MOM has detected variational collapse, occupied orbitals have changed
iter:  41 13:25:35   -18.581701  +2.19  -14.77c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  42 13:26:26   -18.739839  +2.18  -14.98c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  43 13:27:15   -14.972557  +2.50  -15.32c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  44 13:28:02   -17.711296  +2.49  -15.42c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  45 13:28:54   -14.623707  +2.60  -15.27c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  46 13:29:38   -14.197473  +2.75  -15.20c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  47 13:30:30   -14.358549  +2.77  -15.30c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  48 13:31:21   -16.553765  +2.42  -15.18c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  49 13:32:12   -10.859889  +3.14  -15.26c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  50 13:35:09   -14.281248  +2.55  -15.13c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  51 13:36:26   -16.385420  +2.67  -15.35c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  52 13:37:15   -16.528115  +2.54  -15.35c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  53 13:38:00   -15.178395  +2.70  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  54 13:39:15   -14.944170  +2.90  -15.13c   -2.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter:  55 13:40:03   -16.010743  +2.60  -15.47c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  56 13:40:54   -14.451422  +2.88  -15.00c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  57 13:41:42   -14.469188  +2.79  -15.60c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  58 13:42:32   -14.543932  +2.92  -15.03c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  59 13:43:19   -11.268485  +3.18  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  60 13:44:06    -5.125813  +3.41  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  61 13:46:43   -10.924269  +3.07  -15.50c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  62 13:47:32   -15.491746  +2.70  -15.24c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  63 13:48:43   -12.901812  +3.04  -15.36c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  64 13:49:31   -13.063780  +2.85  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  65 13:52:51   -12.702912  +2.82  -15.27c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  66 13:53:45   -15.687683  +2.91  -15.44c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  67 13:54:34   -12.311730  +3.11  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  68 13:55:25   -11.912946  +3.13  -15.40c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  69 13:56:11   -15.020264  +2.84  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  70 13:56:59   -15.311149  +3.01  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  71 13:57:49   -17.302823  +2.81  -15.46c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  72 13:58:41   -13.162511  +3.10  -15.28c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  73 13:59:33   -11.671783  +3.17  -15.38c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  74 14:00:21   -12.128353  +3.20  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  75 14:01:06    -9.151455  +3.27  -15.52c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  76 14:01:55    -4.753193  +3.43  -15.23c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  77 14:02:46   -14.504349  +2.99  -15.42c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  78 14:03:36   -12.973750  +3.05  -15.01c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  79 14:04:26   -11.941435  +2.77  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  80 14:05:10    -1.304562  +3.55  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  81 14:05:57    -9.063603  +3.26  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  82 14:12:27   -15.201139  +2.70  -2.35    -2.0038          88
MOM has detected variational collapse, occupied orbitals have changed
iter:  83 14:16:29   -11.773142  +3.10  -14.85c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  84 14:17:19   -12.604802  +3.02  -15.11c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  85 14:18:07   -16.981526  +2.61  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  86 14:18:53   -11.932768  +3.17  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  87 14:19:43   -15.677830  +2.94  -15.34c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  88 14:20:24    -4.599269  +3.42  -15.31c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  89 14:21:16    -8.082745  +3.41  -15.29c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  90 14:22:07   -17.468508  +2.72  -15.04c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  91 14:22:59   -16.517410  +2.77  -15.29c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  92 14:25:14   -17.899989  +2.61  -15.24c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  93 14:26:26   -18.395616  +2.53  -15.11c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  94 14:27:14   -13.791535  +2.95  -15.53c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  95 14:28:06   -10.185042  +3.21  -15.26c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  96 14:31:23   -12.932359  +3.11  -15.14c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  97 14:32:12   -16.880373  +2.50  -15.47c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  98 14:33:05   -16.523271  +2.84  -15.34c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  99 14:33:55   -18.520076  +2.65  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 100 14:34:46   -12.598452  +3.04  -15.20c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 101 14:35:30   -16.075998  +2.77  -15.06c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 102 14:36:16   -11.769425  +3.16  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 103 14:37:05   -16.622322  +2.93  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 104 14:37:52   -11.329055  +3.14  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 105 14:38:45    -3.439376  +3.49  -15.29c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 106 14:39:36   -13.104116  +3.08  -15.41c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 107 14:40:27   -17.892183  +2.76  -15.39c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 108 14:41:09   -16.657817  +2.89  -15.11c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 109 14:41:56   -10.406638  +3.24  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 110 14:42:41   -15.804533  +2.81  -15.44c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 111 14:43:30   -11.374326  +3.14  -15.22c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 14:44:26    -8.596438  +3.32  -15.40c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 113 14:45:23   -11.772070  +3.25  -15.34c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 114 14:46:15   -12.305742  +3.14  -15.03c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 14:47:05   -14.410301  +3.05  -15.35c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 14:47:54    -7.189962  +3.28  -15.54c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 117 14:48:49    45.428454  +4.12  -15.34c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 118 14:50:08    36.537318  +4.01  -15.19c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 14:51:19   -13.677516  +3.01  -15.49c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 14:52:06   -14.435654  +3.00  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 121 14:56:10   -14.267883  +3.05  -15.38c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 122 14:57:02   -15.586631  +2.95  -15.26c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 15:00:00   -12.913509  +3.17  -15.12c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 124 15:00:44   -13.446059  +3.06  -15.00c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 15:01:35   -12.472807  +3.13  -15.67c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 15:02:24    -7.523572  +3.33  -15.13c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 15:03:09    -3.148050  +3.45  -15.07c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 128 15:03:55     0.024329  +3.55  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 129 15:04:45    -3.182026  +3.37  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 130 15:05:31    -3.702968  +3.36  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 131 15:06:15     4.255489  +3.69  -15.05c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 132 15:06:58    20.100184  +3.88  -15.25c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 133 15:08:41    27.205287  +3.92  -14.83c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 134 15:11:23    37.016061  +3.96  -15.42c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 135 15:12:31    69.927880  +4.23  -15.13c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 136 15:13:35   147.579957  +4.48  -14.74c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 137 15:18:04    92.111407  +4.19  -15.41c   -2.0000          64
MOM has detected variational collapse, occupied orbitals have changed
iter: 138 15:19:40    74.117905  +4.12  -14.78c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 139 15:20:49    13.617235  +3.58  -15.23c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 140 15:22:26    12.095071  +3.70  -14.93c   -2.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 141 15:23:20    83.609743  +4.32  -15.07c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 142 15:24:54     0.237895  +3.59  -14.81c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 143 15:26:05    18.769492  +3.87  -15.49c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 144 15:26:54    73.139619  +4.28  -15.27c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 145 15:27:42   135.924976  +4.48  -15.35c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 146 15:28:46     6.712023  +3.70  -14.66c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 147 15:29:35    39.479086  +4.08  -15.52c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 148 15:31:03    59.403295  +4.18  -15.40c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 149 15:31:49   122.608061  +4.44  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 150 15:32:54   393.878778  +4.86  -14.89c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 151 15:33:58    59.674989  +4.17  -14.52c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 152 15:34:46    36.569175  +4.02  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 153 15:35:34   131.591287  +4.44  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 154 15:36:21    23.879197  +3.94  -15.53c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 155 15:37:14   612.794815  +5.00  -15.27c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 156 15:38:37   337.874761  +4.77  -15.02c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 157 15:40:22   220.595320  +4.59  -15.18c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 158 15:41:38   399.675497  +4.79  -14.63c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 159 15:43:05    97.186808  +4.25  -14.64c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 160 15:44:05   187.783603  +4.50  -14.91c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 161 15:44:52   311.966188  +4.67  -14.90c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 162 15:46:00   910.290468  +5.05  -15.02c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 163 15:47:06    74.843601  +4.08  -14.74c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 164 15:47:51   184.598692  +4.42  -15.60c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 165 15:48:40     7.503997  +3.47  -15.16c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 166 15:49:47   157.114836  +4.38  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 167 15:50:59    20.304762  +3.71  -15.46c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 15:52:08    38.684912  +3.92  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 169 15:53:15    49.712908  +4.02  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 170 15:54:03    73.750345  +4.12  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 171 15:55:26    11.676502  +3.70  -14.75c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 172 15:56:15     1.979339  +3.50  -15.45c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 173 15:57:23     7.908293  +3.68  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 174 15:58:11    13.432395  +3.73  -15.07c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 175 15:59:20    98.862727  +4.24  -15.13c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 176 16:00:11    55.731491  +4.05  -15.10c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 177 16:00:57    45.983863  +3.98  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 178 16:02:05   131.183127  +4.32  -14.74c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 179 16:03:13    84.912423  +4.20  -15.41c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 180 16:03:56   112.106670  +4.27  -15.48c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 181 16:04:46    32.504619  +3.88  -15.44c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 182 16:05:31    54.109775  +4.02  -15.43c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 183 16:06:17    92.532452  +4.19  -15.01c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 184 16:07:03    48.105792  +4.01  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 185 16:07:49    38.058913  +4.01  -15.13c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 186 16:08:35    35.671800  +4.02  -15.07c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 187 16:09:45   124.153017  +4.29  -15.28c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 188 16:10:31    59.358651  +4.17  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 189 16:11:17    78.243872  +4.26  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 190 16:12:00   154.930585  +4.51  -15.26c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 191 16:12:45    -2.228963  +3.40  -15.00c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 192 16:13:26    -2.066669  +3.52  -15.10c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 193 16:14:08    45.810011  +4.09  -15.36c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 194 16:14:49    56.978594  +4.05  -15.30c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 195 16:15:29   117.572013  +4.30  -15.41c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 196 16:16:09    71.947593  +4.15  -15.28c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 197 16:16:57    94.997344  +4.36  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 198 16:17:37    46.472863  +3.98  -15.35c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 199 16:18:46    34.761562  +3.95  -15.11c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 200 16:19:53   117.944248  +4.29  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 201 16:20:43   221.118355  +4.48  -15.17c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 202 16:21:26    97.494986  +4.36  -15.38c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 203 16:22:52   381.423236  +4.67  -14.90c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 204 16:23:37     8.403417  +3.70  -15.50c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 205 16:25:05   298.844541  +4.64  -15.36c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 206 16:26:17    63.726501  +4.15  -15.62c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 207 16:27:01   289.299679  +4.58  -15.15c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 208 16:29:23   180.176447  +4.52  -15.28c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 209 16:30:18   670.886695  +4.89  -15.44c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 210 16:31:26   134.335623  +4.31  -14.87c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 211 16:32:32   135.558360  +4.36  -14.94c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 212 16:33:17   897.812775  +4.99  -15.51c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 213 16:34:30   543.563385  +4.75  -15.38c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 214 16:35:20   345.451451  +4.69  -15.11c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 215 16:36:14   228.766251  +4.48  -15.02c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 216 16:37:03   394.327248  +4.64  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 217 16:38:29   326.903634  +4.58  -14.63c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 218 16:39:18  1014.579493  +4.92  -15.41c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 219 16:40:24   322.744534  +4.59  -14.70c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 220 16:41:11   238.416938  +4.49  -15.52c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 221 16:41:57   148.928201  +4.34  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 222 16:42:45    89.754801  +4.27  -15.10c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 223 16:43:28    26.683864  +3.90  -15.08c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 224 16:44:15     4.371376  +3.42  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 225 16:45:03    32.669970  +3.86  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 226 16:45:51    23.392033  +3.78  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 227 16:46:37    15.542774  +3.68  -15.12c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 228 16:47:24   104.178922  +4.10  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 229 16:48:13    91.401923  +4.29  -14.77c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 230 16:48:59    26.039781  +3.85  -15.49c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 231 16:49:44     6.616063  +3.52  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 232 16:50:31   266.176845  +4.58  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 233 16:51:16     2.575870  +3.55  -15.60c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 234 16:52:46    -8.916475  +3.16  -15.24c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 235 16:53:31   131.163089  +4.19  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 236 16:54:26   626.259230  +4.82  -15.40c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 237 16:55:14   588.123776  +4.81  -15.35c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 238 16:57:00    16.963781  +3.65  -15.22c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 239 16:57:51   990.352689  +4.94  -15.45c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 240 16:58:41    19.949145  +3.80  -14.88c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 241 16:59:32   345.326572  +4.59  -15.38c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 242 17:00:15   729.777052  +4.78  -15.18c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 243 17:01:07   259.844277  +4.49  -15.25c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 244 17:01:53   316.144984  +4.64  -15.49c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 245 17:02:39   936.824309  +4.87  -15.48c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 246 17:04:24     7.094060  +3.45  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 247 17:05:12   591.668571  +4.76  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 248 17:06:05   357.034853  +4.72  -15.27c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 249 17:06:50   146.349099  +4.22  -15.17c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 250 17:07:41   161.742120  +4.30  -15.32c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 251 17:08:29   883.278277  +4.88  -14.94c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 17:09:14   941.876616  +4.86  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 253 17:11:05   561.489675  +4.69  -15.10c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 254 17:12:15   304.677672  +4.44  -15.19c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 17:17:11     2.110110  +3.18  -2.00    -2.0000          48
MOM has detected variational collapse, occupied orbitals have changed
iter: 256 17:18:09    77.596153  +4.10  -14.78c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 257 17:18:53    81.945937  +4.08  -15.33c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 258 17:19:36    84.771048  +4.14  -15.01c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 17:20:46   197.952063  +4.26  -15.19c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 260 17:21:34   230.548163  +4.34  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 261 17:22:13   506.516028  +4.61  -15.15c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 17:22:55   253.499004  +4.49  -15.16c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 263 17:24:01   753.367628  +4.74  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 264 17:24:45   126.565601  +4.10  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 265 17:26:05   237.327334  +4.46  -14.75c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 266 17:26:53   271.218788  +4.47  -15.41c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 267 17:27:38   518.404773  +4.61  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 268 17:28:38   109.755888  +4.41  -14.64c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 269 17:29:39    95.931693  +4.06  -15.25c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 270 17:30:25   574.267834  +4.70  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 271 17:31:07   370.462668  +4.50  -15.15c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 272 17:31:51   165.616751  +4.37  -15.33c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 273 17:33:00   221.466870  +4.37  -14.92c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 274 17:33:44   339.179653  +4.51  -15.26c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 275 17:34:28   312.655359  +4.47  -15.16c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 276 17:35:11   347.562625  +4.42  -15.35c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 277 17:36:12   319.097070  +4.49  -14.88c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 278 17:37:44   156.104095  +4.14  -15.17c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 279 17:38:30    48.325706  +3.86  -15.23c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 280 17:39:56    86.414719  +4.00  -15.45c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 281 17:41:20    37.296075  +3.99  -14.62c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 282 17:43:11   121.703295  +4.34  -15.00c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 283 17:43:58    21.265653  +3.76  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 17:45:10   296.764207  +4.44  -15.25c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 17:45:54    34.188413  +3.72  -15.28c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 17:47:04    88.517122  +4.23  -14.61c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 287 17:47:52   485.864428  +4.66  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 17:48:41   374.232292  +4.61  -14.96c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 289 17:49:33   813.915302  +4.83  -15.45c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 290 17:50:16   679.131299  +4.74  -15.17c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 291 17:51:25   124.377244  +4.30  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 292 17:52:38   424.955296  +4.58  -14.66c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 293 17:54:28  1181.599658  +4.94  -14.84c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 294 17:55:15   194.728836  +4.28  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 17:56:22   150.867900  +4.30  -14.53c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 17:57:26    94.239678  +4.13  -15.35c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 297 17:58:15    27.916754  +3.81  -15.34c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 17:59:00   539.110923  +4.73  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 18:00:05   469.963414  +4.66  -14.85c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 18:01:26    30.504526  +3.83  -15.40c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 18:02:33    71.892127  +3.93  -14.73c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 18:03:19  1062.793355  +4.94  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 303 18:04:17   482.037322  +4.71  -14.72c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 18:05:25   149.376936  +4.31  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 18:06:33   117.988864  +4.19  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 18:07:43    82.134848  +4.21  -15.20c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 307 18:08:29    16.376388  +3.86  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 308 18:09:37   368.612444  +4.66  -15.56c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 309 18:10:22   731.457044  +4.84  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 310 18:11:19  1014.904639  +4.89  -14.83c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 311 18:12:21    90.196286  +4.01  -14.82c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 18:13:01    68.112436  +4.15  -15.22c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 313 18:13:42    77.056581  +4.21  -15.21c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 314 18:14:22   129.585482  +4.30  -15.34c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 315 18:15:07   316.319381  +4.47  -15.08c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 316 18:17:15   265.467995  +4.49  -15.05c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 18:18:04   225.222505  +4.51  -15.03c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 318 18:19:34   572.739862  +4.78  -14.83c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 319 18:20:46   272.752272  +4.64  -15.38c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 320 18:22:02   798.395131  +4.87  -15.09c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 321 18:23:10   600.663998  +4.83  -14.56c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 322 18:26:03   704.564215  +4.76  -15.25c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 323 18:28:26   532.079272  +4.68  -14.98c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 324 18:29:32   174.795150  +4.34  -15.45c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 325 18:31:41   263.302007  +4.50  -14.64c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 326 18:33:04   282.699910  +4.58  -15.26c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 327 18:34:32   338.185718  +4.65  -14.79c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 328 18:35:37   280.892573  +4.51  -15.25c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 329 18:37:02   452.128402  +4.64  -14.82c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 330 18:38:06   480.407079  +4.66  -15.05c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 331 18:39:37   322.744009  +4.58  -14.92c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 18:40:46   165.641989  +4.34  -14.94c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 333 18:42:11   110.723037  +4.29  -14.96c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 334 18:43:27   125.153074  +4.36  -14.67c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 335 18:44:55   149.147635  +4.37  -15.28c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 18:46:16   106.085688  +4.14  -15.06c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 337 18:47:06   455.737453  +4.67  -15.28c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 338 18:48:40    82.735600  +4.04  -14.88c   -2.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 18:50:03   169.391171  +4.46  -14.49c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 340 18:51:17    51.206943  +3.99  -14.93c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 341 18:52:38    65.200513  +3.99  -14.78c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 342 18:53:47    97.089560  +4.08  -14.86c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 343 18:55:14    45.650418  +3.86  -15.20c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 344 18:56:34   151.943474  +4.33  -14.70c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 345 18:57:59   686.058030  +4.82  -14.88c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 346 18:59:31   456.248271  +4.68  -14.90c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 347 19:00:53    91.565245  +4.25  -14.67c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 19:01:57   147.814458  +4.31  -15.11c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 349 19:03:50     4.345422  +3.31  -14.77c   -2.0000          44
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 19:05:12    63.662508  +4.11  -14.62c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 19:06:22    47.784523  +3.88  -14.86c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 19:07:32    29.670311  +3.76  -14.93c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 353 19:08:16    88.732858  +4.10  -15.22c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 19:09:01    66.420012  +3.96  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 355 19:10:33    25.616014  +3.73  -15.29c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 356 19:11:40    40.222952  +3.83  -14.85c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 357 19:12:40    16.694735  +3.68  -14.73c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 19:13:28    18.802182  +3.67  -15.40c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 19:14:16    -5.388372  +3.30  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 19:15:06    11.297727  +3.57  -15.22c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 361 19:15:51    13.704153  +3.60  -15.03c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 19:16:36    67.964528  +4.16  -15.04c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 363 19:17:22   382.949171  +4.65  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 364 19:19:16     6.348058  +3.50  -15.35c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 365 19:21:30   199.642188  +4.38  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 366 19:22:33    95.085220  +4.09  -15.06c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 367 19:24:28    57.924426  +3.94  -14.85c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 368 19:25:53    14.924202  +3.58  -14.78c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 369 19:26:50   358.067604  +4.57  -15.38c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 370 19:28:11   283.205755  +4.47  -15.18c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 371 19:29:26   254.438261  +4.53  -14.85c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 372 19:30:43   285.643254  +4.53  -15.05c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 19:32:46   325.719544  +4.58  -14.99c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 374 19:34:18   328.789713  +4.58  -14.82c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 375 19:35:23    47.048902  +3.83  -15.13c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 19:36:48   380.895067  +4.63  -14.60c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 377 19:38:46   581.790699  +4.78  -14.52c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 19:40:19    47.351827  +3.91  -15.03c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 19:41:28   633.686743  +4.79  -14.62c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 380 19:42:39    63.778029  +3.96  -15.54c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 19:43:48    56.374761  +4.00  -14.65c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 382 19:44:37    86.814164  +4.08  -15.54c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 383 19:45:27   116.015775  +4.14  -15.11c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 384 19:46:17   394.081698  +4.63  -15.28c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 19:47:17   112.698263  +4.23  -14.92c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 386 19:48:51   162.718695  +4.26  -15.42c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 19:50:03    83.520127  +4.06  -14.66c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 388 19:50:57    43.839677  +3.85  -15.27c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 389 19:52:46     2.755193  +3.46  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 19:53:35    -2.062946  +3.32  -15.18c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 391 19:54:25   173.165929  +4.33  -15.50c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 392 19:55:13     5.661357  +3.48  -15.45c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 393 19:56:43    30.496401  +3.80  -15.56c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 394 19:57:29   111.593758  +4.16  -15.07c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 19:58:15  1189.290550  +4.99  -15.14c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 396 19:59:25   772.069265  +4.86  -14.93c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 397 20:00:45   310.651641  +4.55  -15.44c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 398 20:02:45    31.791755  +3.73  -15.37c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 20:04:03    56.635733  +4.06  -14.90c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 400 20:05:01   166.250435  +4.32  -15.25c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 401 20:06:31   112.118316  +4.16  -14.81c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 20:07:49   606.984729  +4.78  -15.53c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 20:09:00   148.378477  +4.28  -14.86c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 20:10:12    32.535123  +3.83  -14.71c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 20:11:02    13.093667  +3.61  -15.21c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 20:11:57    20.879392  +3.74  -15.04c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 20:13:10   103.659176  +4.17  -15.39c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 20:14:20    35.500379  +3.89  -15.24c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 409 20:15:21    15.809883  +3.60  -15.25c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 410 20:16:57   131.289679  +4.29  -14.73c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 411 20:18:25   633.178422  +4.84  -14.91c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 412 20:19:52   352.520489  +4.63  -14.87c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 413 20:21:09   684.018497  +4.89  -14.63c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 20:22:03   217.484674  +4.44  -15.51c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 415 20:23:26   481.191790  +4.73  -15.09c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 416 20:25:20   179.626002  +4.34  -14.77c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 20:26:48   151.572467  +4.29  -14.53c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 418 20:27:43    31.168613  +3.82  -15.42c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 419 20:28:39   131.583139  +4.22  -15.42c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 20:29:41   415.559319  +4.68  -15.57c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 20:31:27   176.321715  +4.33  -14.75c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 20:32:21   163.219774  +4.27  -15.48c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 423 20:33:24   490.700903  +4.69  -15.30c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 20:34:26    97.276470  +4.03  -15.31c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 425 20:35:59    88.039311  +4.05  -14.68c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 20:36:55   152.791833  +4.27  -15.42c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 20:38:27   249.488104  +4.43  -14.82c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 428 20:39:25    59.766859  +3.90  -15.20c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 20:40:25   174.414530  +4.31  -15.29c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 20:41:23   314.721127  +4.52  -15.42c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 20:42:54    70.952379  +3.97  -14.70c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 432 20:43:55    19.970117  +3.54  -15.49c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 20:45:26    65.821248  +3.96  -14.69c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 434 20:47:31  1562.089970  +5.11  -14.77c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 20:49:10    -0.870138  +3.29  -14.80c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 20:50:22     9.749390  +3.60  -14.97c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 20:51:27    56.449247  +3.95  -14.77c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 438 20:52:59   312.342594  +4.53  -14.83c   -2.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 439 20:54:07  1325.916924  +5.09  -15.02c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 20:55:38   253.829079  +4.48  -14.72c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 441 20:56:32   133.643278  +4.23  -15.27c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 442 20:57:47    64.805344  +3.95  -14.80c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 443 20:58:39    71.870316  +4.02  -15.46c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 21:00:11    38.407200  +3.84  -14.63c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 21:01:29   141.359619  +4.26  -14.97c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 446 21:02:28   335.661273  +4.59  -15.16c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 447 21:04:00   114.839964  +4.19  -15.08c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 448 21:05:06    -1.385144  +3.41  -14.85c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 449 21:06:34    90.569927  +4.10  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 21:07:22   206.343807  +4.38  -15.18c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 21:08:22    71.016885  +4.00  -15.55c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 21:09:33    81.658515  +4.05  -14.99c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 453 21:10:26    32.544346  +3.77  -15.21c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 21:11:14   258.204460  +4.48  -15.41c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 455 21:12:37   361.137104  +4.60  -15.35c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 456 21:14:23   223.121639  +4.39  -14.70c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 457 21:15:38     0.506412  +3.36  -14.74c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 458 21:16:45   100.908429  +4.14  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 459 21:17:39    94.834919  +4.07  -15.07c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 460 21:18:40   980.560399  +4.94  -15.19c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 21:20:10   137.707383  +4.18  -14.67c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 21:21:36   108.934037  +4.10  -14.81c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 463 21:22:55    23.314625  +3.70  -15.25c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 464 21:25:00   248.421590  +4.40  -14.79c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 21:26:17   113.202587  +4.14  -14.81c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 466 21:27:22    64.931918  +3.97  -15.07c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 21:28:38    99.789388  +4.08  -14.88c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 21:29:48   115.121796  +4.13  -14.85c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 21:31:24   175.751347  +4.32  -14.87c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 470 21:32:49   215.510932  +4.40  -14.88c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 471 21:34:28   312.576954  +4.52  -14.83c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 21:35:59   333.018999  +4.54  -14.76c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 21:36:49   606.506363  +4.74  -15.46c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 21:38:04   584.535834  +4.70  -14.86c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 21:39:13   265.264714  +4.40  -15.32c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 21:40:24   148.317853  +4.17  -15.22c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 477 21:41:59   682.967789  +4.74  -14.64c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 21:43:45    60.248809  +3.81  -14.48c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 21:44:47    20.998748  +3.56  -15.30c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 21:46:24   268.269298  +4.40  -14.75c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 481 21:47:16   743.161332  +4.75  -15.28c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 482 21:49:15    35.770773  +3.64  -14.76c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 483 21:52:42   101.161041  +4.00  -15.02c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 484 21:53:59   614.951145  +4.65  -15.39c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 21:55:13    37.091509  +3.66  -15.06c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 486 21:56:49    55.065087  +3.79  -14.76c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 487 21:58:06    47.878635  +3.76  -14.51c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 488 21:59:55     4.807869  +3.33  -14.87c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 489 22:00:58    61.475102  +3.85  -14.88c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 22:02:05   194.138277  +4.23  -14.56c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 491 22:03:39   456.056499  +4.52  -15.16c   -2.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 22:05:04   167.113307  +4.16  -14.80c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 493 22:06:07   189.026572  +4.20  -14.86c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 494 22:06:53    62.884714  +3.78  -15.17c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 495 22:07:51   647.115473  +4.66  -15.17c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 496 22:09:07    31.946807  +3.63  -14.82c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 22:10:10    61.686009  +3.77  -15.39c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 22:11:30    34.463016  +3.63  -15.45c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 22:12:58    19.153705  +3.46  -14.64c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 500 22:14:24    20.523132  +3.47  -15.03c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 22:16:43    60.303440  +3.82  -14.75c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 22:18:13    -3.059971  +3.12  -14.96c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 22:19:29    58.704841  +3.81  -14.69c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 504 22:20:49    21.727216  +3.56  -14.91c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 505 22:21:57   205.860001  +4.25  -15.01c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 506 22:22:52    29.216116  +3.58  -15.11c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 507 22:23:56    97.212560  +3.97  -14.86c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 22:24:47   427.644213  +4.53  -15.10c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 509 22:25:56    57.973604  +3.84  -14.95c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 510 22:27:36    14.100485  +3.37  -14.81c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 511 22:28:46    27.500630  +3.55  -14.90c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 512 22:29:34    12.467185  +3.41  -15.33c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 513 22:30:46   428.325691  +4.54  -14.72c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 22:32:05    16.828507  +3.49  -14.85c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 515 22:33:14    43.568810  +3.70  -14.76c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 22:34:15   154.055903  +4.15  -15.07c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 517 22:35:17    34.121979  +3.62  -14.78c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 22:36:06   169.897449  +4.18  -15.48c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 22:37:21   275.430395  +4.36  -14.70c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 520 22:38:36   104.872425  +4.00  -14.88c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 521 22:39:50    79.431060  +3.90  -14.65c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 522 22:40:41   -12.404273  +2.54  -15.24c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 523 22:42:13    60.446815  +3.81  -14.86c   -2.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 524 22:43:48   282.131876  +4.35  -14.77c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 525 22:45:13   221.216767  +4.27  -14.71c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 526 22:46:19    51.677868  +3.73  -14.82c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 22:47:09   106.958699  +3.98  -15.36c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 22:48:07    37.918902  +3.65  -14.70c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 22:49:19    43.057669  +3.70  -15.11c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 22:50:44    41.166438  +3.65  -15.33c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 22:51:37    28.701164  +3.55  -15.20c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 22:52:31    52.677683  +3.75  -15.44c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 22:53:58   116.138818  +4.03  -15.35c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 534 22:55:07    79.988614  +3.91  -14.62c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 535 22:56:14    29.063100  +3.60  -14.91c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 536 22:57:08    91.290722  +3.95  -14.95c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 537 22:58:13   192.215749  +4.24  -14.67c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 538 22:59:18    30.133986  +3.60  -14.51c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 23:01:05    24.183092  +3.52  -14.78c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 540 23:02:41    55.274016  +3.78  -14.61c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 541 23:04:46    65.065920  +3.84  -14.65c   -2.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 542 23:05:59   187.063268  +4.23  -14.61c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 543 23:07:41   284.928997  +4.39  -14.69c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 544 23:08:26    22.764434  +3.56  -15.18c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 545 23:09:09   416.002595  +4.52  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 546 23:09:58   186.643602  +4.22  -15.49c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 547 23:10:40    80.404080  +3.93  -15.24c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 548 23:12:00     3.392815  +3.25  -15.17c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 549 23:12:49   128.923217  +4.08  -14.88c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 23:13:52    32.032106  +3.65  -14.86c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 551 23:14:40    39.364653  +3.70  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 552 23:15:25    39.349341  +3.68  -15.13c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 553 23:16:30    16.020191  +3.44  -14.88c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 23:18:01    37.715292  +3.67  -15.16c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 555 23:19:11    34.728031  +3.65  -15.05c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 23:20:36    -6.060540  +3.09  -14.78c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 23:25:09   -19.708469  +2.06  -2.01    -1.9985          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 23:26:33    26.103669  +3.58  -14.89c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 559 23:27:41    27.270383  +3.61  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 560 23:28:23    87.654932  +3.94  -15.25c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 23:29:19   156.510048  +4.14  -14.87c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 562 23:30:04   312.680214  +4.39  -15.50c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 23:31:13   337.453251  +4.40  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 23:33:34     0.442501  +3.30  -14.84c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 565 23:35:06    52.728278  +3.77  -15.62c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 566 23:36:41    27.204378  +3.57  -15.25c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 23:39:56    60.410016  +3.80  -15.46c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 568 23:43:32    74.016921  +3.87  -15.40c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 23:44:15   160.170216  +4.11  -15.22c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 570 23:45:05    99.241941  +3.94  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 23:45:49  1513.999208  +4.79  -15.41c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 23:46:44  1142.519736  +4.77  -14.70c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 23:47:25    45.806710  +3.71  -15.24c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 23:48:12   271.841139  +4.30  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 575 23:48:59   305.516759  +4.36  -15.14c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 576 23:49:47    16.988982  +3.47  -15.05c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 577 23:50:37   350.286160  +4.40  -15.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 23:51:17    13.411343  +3.44  -15.37c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 579 23:52:00    81.205422  +3.89  -15.28c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 580 23:53:10   262.856119  +4.30  -15.17c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 581 23:55:11   958.098504  +4.74  -14.71c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 582 23:56:27    37.685835  +3.64  -14.91c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 23:57:14  1062.234710  +4.76  -15.39c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 584 23:58:13   578.035747  +4.59  -14.64c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 23:59:18   304.313734  +4.36  -15.48c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 00:00:00    34.111572  +3.65  -14.97c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 00:01:04   170.410313  +4.15  -15.13c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 00:02:09   100.863657  +3.96  -15.46c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 00:03:43   310.011580  +4.38  -15.30c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 00:04:51   601.402442  +4.60  -14.85c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 591 00:05:40    22.407892  +3.52  -14.88c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 592 00:07:07    59.517723  +3.79  -15.46c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 00:08:13    57.048391  +3.79  -15.12c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 594 00:09:21   104.523823  +3.98  -15.61c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 595 00:10:06   141.084917  +4.07  -15.17c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 596 00:11:09    34.731108  +3.62  -14.84c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 597 00:11:54    32.691392  +3.62  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 598 00:12:37   325.146335  +4.39  -15.35c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 599 00:15:52    11.084368  +3.41  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 600 00:16:42   211.356282  +4.28  -15.57c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 601 00:17:28    14.115091  +3.53  -14.77c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 602 00:18:31    33.602687  +3.68  -14.65c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 603 00:19:13   341.393331  +4.42  -15.41c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 604 00:19:57   332.305118  +4.41  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 605 00:20:45   108.683996  +4.01  -15.11c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 606 00:21:33   132.807649  +4.08  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 607 00:22:47    15.026511  +3.48  -15.52c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 608 00:23:53   106.813209  +3.99  -14.77c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 00:24:38   209.409828  +4.22  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 610 00:25:46    56.065058  +3.98  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 611 00:27:14    21.966477  +3.56  -15.04c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 00:28:00   201.642863  +4.22  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 613 00:29:12   271.295723  +4.35  -15.12c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 614 00:29:54    32.336352  +3.58  -15.37c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 615 00:30:40   116.255795  +4.02  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 616 00:31:24   794.261955  +4.69  -15.02c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 617 00:32:07   383.557836  +4.49  -15.04c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 618 00:33:58  1007.735232  +4.76  -15.18c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 00:34:44   479.769861  +4.51  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 620 00:36:14    16.937422  +3.46  -14.81c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 621 00:36:55   116.593033  +4.01  -15.14c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 622 00:37:34    27.349992  +3.74  -15.25c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 00:38:16    56.780386  +3.77  -15.27c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 00:38:58   228.183537  +4.26  -15.42c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 625 00:39:36    50.674789  +3.78  -15.32c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 00:40:21    59.856091  +3.78  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 00:41:31    64.655920  +3.82  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 00:42:42   164.802891  +4.16  -15.16c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 629 00:43:46    33.655795  +3.58  -15.41c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 630 00:44:33    -5.096371  +3.31  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 631 00:45:23    41.456942  +3.71  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 00:46:07    17.435504  +3.47  -15.51c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 633 00:46:53    61.273062  +3.93  -15.21c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 00:49:49   203.870996  +4.20  -15.11c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 635 00:50:52   435.098432  +4.46  -14.55c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 636 00:51:41   166.116888  +4.18  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 637 00:52:49   700.363806  +4.60  -15.48c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 638 00:53:33   907.853405  +4.67  -15.26c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 639 00:54:20   849.980085  +4.66  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 640 00:55:08   636.863116  +4.57  -15.17c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 00:55:53  1161.488673  +4.72  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 642 01:00:31     4.438316  +3.17  -2.01    -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 643 01:01:55   532.507359  +4.52  -14.55c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 01:02:37   328.692436  +4.33  -15.10c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 645 01:03:22   129.526957  +4.00  -15.13c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 646 01:04:08   172.543198  +4.12  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 01:04:54    11.943204  +3.64  -15.18c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 648 01:06:00   127.312737  +3.98  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 649 01:06:44    65.277339  +3.94  -14.97c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 650 01:08:41    17.800764  +3.48  -15.15c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 651 01:09:45    64.159389  +3.79  -14.75c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 01:10:35    39.424057  +3.61  -15.07c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 653 01:11:20    28.458600  +3.58  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 01:12:08   229.860978  +4.27  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 655 01:13:15   286.651075  +4.34  -15.39c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 01:14:05   196.568321  +4.25  -14.79c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 01:14:53    25.446033  +3.61  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 01:15:59    75.006713  +3.94  -14.65c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 01:17:07   894.492506  +4.68  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 01:18:35   501.873240  +4.50  -14.75c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 01:19:20    30.447402  +3.59  -15.10c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 662 01:20:04   306.190047  +4.36  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 663 01:20:50    53.225459  +3.75  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 664 01:21:29    66.489212  +3.87  -15.37c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 01:22:08    86.689470  +3.90  -15.15c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 666 01:23:15   174.459482  +4.15  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 667 01:24:23   867.645520  +4.67  -15.41c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 668 01:25:06    55.509508  +3.73  -15.44c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 669 01:25:46   156.872265  +4.09  -15.28c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 01:26:27     0.005137  +3.46  -15.31c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 01:27:58   309.464248  +4.36  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 672 01:28:43   123.484000  +4.01  -15.03c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 673 01:30:38    57.825770  +3.75  -15.31c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 674 01:31:23   137.000651  +4.09  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 675 01:33:19   680.320654  +4.64  -15.39c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 676 01:35:24   291.067229  +4.34  -14.92c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 677 01:36:33   487.846057  +4.53  -14.77c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 678 01:38:08   630.319688  +4.60  -15.13c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 679 01:39:24   404.445428  +4.43  -14.85c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 680 01:40:56    43.690562  +3.64  -14.54c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 681 01:41:58   858.102869  +4.67  -14.69c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 01:43:23   798.699306  +4.64  -14.79c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 683 01:44:03    10.930507  +3.30  -15.13c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 684 01:45:08   420.845607  +4.46  -15.39c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 01:45:53   151.498902  +4.10  -15.46c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 686 01:46:52  1212.868316  +4.76  -14.60c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 687 01:47:52  1843.163909  +4.76  -14.74c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 688 01:49:01   253.050542  +4.28  -14.90c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 01:49:48    51.092698  +3.69  -14.92c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 690 01:51:15     5.991998  +3.30  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 691 01:53:42   198.854905  +4.62  -15.16c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 692 01:54:36   537.699353  +4.98  -15.11c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 693 01:56:00   311.130066  +4.40  -15.23c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 694 01:57:16    81.389473  +4.13  -14.79c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 01:58:05   308.293494  +4.51  -15.47c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 01:59:17   333.139225  +4.60  -14.58c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 697 02:00:01    24.117962  +3.49  -14.98c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 698 02:00:52  1169.131256  +4.97  -15.51c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 02:01:57    52.290891  +3.74  -14.50c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 700 02:02:47    17.588248  +3.46  -14.74c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 701 02:03:34    36.096752  +3.62  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 702 02:04:20   314.650827  +4.59  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 02:05:09   716.336155  +4.85  -15.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 704 02:06:09   258.651690  +4.44  -14.72c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 705 02:07:11  1044.110601  +4.86  -14.79c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 706 02:08:06   556.188651  +4.65  -14.79c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 707 02:09:50   270.500115  +4.42  -15.15c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 708 02:11:01   542.288837  +4.62  -14.92c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 709 02:12:36   278.853049  +4.50  -15.30c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 02:13:46   553.525981  +4.58  -14.78c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 711 02:15:17    28.765575  +3.54  -14.78c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 02:16:38   807.140984  +4.69  -15.00c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 713 02:17:47   325.237104  +4.63  -14.62c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 02:18:34   374.508773  +4.57  -15.41c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 715 02:19:22   283.784886  +4.72  -15.38c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 716 02:20:05   885.076775  +4.83  -15.36c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 717 02:20:54   219.750696  +4.43  -15.13c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 718 02:21:43  1251.492880  +4.84  -15.27c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 719 02:24:18   438.142436  +4.76  -15.33c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 02:25:06    77.010334  +3.85  -15.43c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 721 02:28:26   134.943588  +4.42  -15.27c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 722 02:32:03   172.564082  +4.30  -15.36c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 02:33:31   417.125355  +4.56  -14.68c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 724 02:34:16   276.127712  +4.51  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 02:35:04   167.457283  +4.22  -15.39c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 726 02:36:11   143.538320  +4.40  -14.69c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 727 02:36:59   297.191564  +4.46  -15.00c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 728 02:37:45   346.476816  +4.69  -14.96c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 729 02:38:51    22.927967  +3.65  -14.66c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 730 02:40:02   129.446431  +4.27  -15.35c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 731 02:42:35   110.955317  +4.12  -15.51c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 732 02:43:44   130.246262  +4.12  -15.41c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 733 02:44:50   821.364034  +4.68  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 734 02:46:16   903.673223  +4.70  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 02:47:27   507.188397  +4.56  -14.61c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 02:49:19    64.100262  +3.94  -15.11c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 02:50:07    17.788982  +3.59  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 738 02:50:52    18.105602  +3.47  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 02:51:39     9.350205  +3.37  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 02:52:25     0.570509  +3.22  -15.25c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 02:59:33    11.574961  +3.27  -2.16    -1.9944         115
MOM has detected variational collapse, occupied orbitals have changed
iter: 742 03:01:15    19.483839  +3.51  -14.79c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 743 03:02:22   255.988285  +4.37  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 744 03:03:28     6.541299  +3.35  -14.58c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 745 03:04:15    88.974200  +4.00  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 03:05:12    17.780282  +3.47  -15.12c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 03:05:54   140.034632  +4.25  -15.57c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 748 03:06:55   517.722502  +4.56  -15.01c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 749 03:07:57   282.258416  +4.36  -14.81c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 750 03:09:08    61.361878  +4.21  -15.37c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 03:09:50   197.508022  +4.36  -15.33c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 03:10:37    91.574491  +4.34  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 753 03:11:16   181.576068  +4.54  -15.40c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 754 03:15:51    -2.198364  +2.98  -1.96    -2.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter: 755 03:17:07   460.062547  +4.57  -14.88c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 756 03:18:00   338.396983  +4.43  -15.44c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 757 03:19:26   474.040434  +4.71  -14.61c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 758 03:20:36   170.571419  +4.49  -15.20c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 759 03:23:26    72.063159  +3.89  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 760 03:24:09    39.269862  +3.70  -15.38c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 03:25:36    32.423320  +3.63  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 03:27:09   376.304893  +4.82  -15.38c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 03:27:57   244.885322  +4.34  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 764 03:29:06    83.082438  +3.94  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 765 03:30:03   703.091057  +4.65  -14.67c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 03:30:54    29.586777  +3.60  -14.74c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 03:32:05    26.725205  +3.84  -15.10c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 768 03:32:47    78.420363  +4.21  -15.41c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 769 03:33:52    14.840929  +3.63  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 03:34:46   108.408740  +4.20  -14.75c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 03:35:54   156.380810  +4.38  -15.31c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 772 03:36:35   383.291438  +4.48  -15.31c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 773 03:37:43    12.076012  +3.53  -15.11c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 774 03:38:52   182.509099  +4.27  -15.04c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 03:39:42   263.921720  +4.38  -15.24c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 03:40:27    47.962900  +3.86  -15.04c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 03:41:33    16.868842  +3.60  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 778 03:42:38    19.522336  +3.75  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 779 03:45:33    47.304689  +3.82  -15.10c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 780 03:46:18    69.575753  +3.91  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 781 03:47:06    77.264369  +3.93  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 782 03:47:51    -2.311566  +3.36  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 03:48:37    44.355950  +3.76  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 03:49:24   434.640080  +4.60  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 03:50:05   334.466295  +4.85  -15.41c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 786 03:51:11   104.423594  +4.21  -15.00c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 03:51:52   254.738811  +4.51  -15.45c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 03:52:53   322.192246  +4.56  -15.04c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 03:53:30   140.796180  +4.14  -15.26c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 03:54:52   474.172509  +4.59  -14.47c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 03:57:32   133.111244  +4.14  -15.40c   -2.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 04:00:55    37.738372  +3.63  -15.40c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 793 04:02:10    56.436719  +3.81  -14.96c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 04:03:17    60.995066  +3.91  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 04:04:25    99.886652  +3.98  -15.33c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 04:05:09   148.304443  +4.15  -15.10c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 797 04:06:35   277.447658  +4.42  -14.69c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 798 04:07:37   567.096363  +4.69  -14.61c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 04:08:59   243.552074  +4.37  -14.63c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 04:09:49   368.234005  +4.47  -15.14c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 04:10:33   342.515064  +4.63  -15.24c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 04:12:04    36.596080  +3.80  -15.15c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 04:16:23   -14.326246  +2.86  -1.94    -1.9999          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 04:17:27    97.720952  +3.94  -14.99c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 04:18:32   392.630048  +4.68  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 04:20:20   493.404470  +4.60  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 04:21:56    84.421196  +4.14  -15.26c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 04:22:44    67.225316  +3.91  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 04:23:28   366.037612  +4.43  -15.54c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 04:24:38    20.066692  +3.51  -15.44c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 04:25:17   183.261031  +4.32  -15.20c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 04:26:04   532.254473  +4.65  -14.87c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 04:27:36    51.728361  +3.79  -15.21c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 04:28:24   185.523376  +4.20  -15.35c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 04:29:30   414.831631  +4.56  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 04:30:14   177.977151  +4.45  -14.96c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 04:32:03   169.120490  +4.23  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 04:33:56   199.304052  +4.37  -15.35c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 04:35:23   661.293144  +4.70  -14.75c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 04:36:13   509.870542  +4.56  -15.28c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 04:37:33   158.274671  +4.31  -14.68c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 04:39:01    68.414397  +4.05  -15.28c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 04:39:44    -9.766174  +3.15  -15.44c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 04:40:28    81.900197  +4.29  -15.56c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 04:41:33   129.520265  +4.13  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 04:42:20    96.811901  +4.11  -15.42c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 04:43:26   378.642303  +4.53  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 04:44:08   404.772295  +4.48  -15.64c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 04:44:53   693.451988  +4.66  -15.14c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 04:45:44    41.563379  +3.73  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 04:46:29   187.310576  +4.47  -15.00c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 832 04:48:03    13.860080  +3.60  -15.39c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 833 04:48:53  1156.231049  +4.81  -15.23c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 04:49:35   318.332312  +4.48  -15.55c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 04:50:47   172.104825  +4.25  -15.37c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 04:51:29   482.084439  +4.62  -15.12c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 04:52:13  1110.066359  +4.76  -15.47c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 838 04:53:19   898.870872  +4.80  -14.92c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 04:54:25   375.531905  +4.73  -14.76c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 04:55:54   227.393720  +4.38  -15.46c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 04:58:02   109.189356  +4.23  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 04:58:50    64.204035  +3.93  -15.56c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 04:59:37    70.127853  +4.11  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 05:00:19    55.658799  +3.95  -15.05c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 05:01:05    28.420885  +3.69  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 05:01:54    34.019921  +3.80  -15.18c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 05:02:38    29.162177  +3.65  -15.60c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 05:03:24     4.869345  +3.38  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 05:04:10    46.372132  +4.15  -15.17c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 05:05:24   107.009577  +4.06  -15.51c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 05:06:27    45.405637  +3.80  -14.79c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 05:07:15    76.766639  +3.90  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 853 05:07:59   152.567241  +4.14  -15.35c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 05:09:03   165.589984  +4.28  -15.54c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 855 05:10:12   414.349865  +4.53  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 856 05:11:21   265.875096  +4.47  -15.35c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 05:12:09     8.284019  +3.42  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 05:12:53   213.170707  +4.32  -15.22c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 05:13:36   241.702261  +4.35  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 05:14:18   466.097432  +4.65  -15.13c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 05:15:23    66.135481  +4.05  -15.30c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 05:16:06    38.770181  +3.85  -15.09c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 05:17:53    87.878942  +4.10  -14.52c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 05:18:37    17.161349  +3.48  -15.54c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 05:19:22    18.170200  +3.54  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 05:20:07   601.858201  +4.68  -15.19c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 05:20:52  1031.516094  +4.88  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 868 05:22:04   270.806788  +4.39  -15.34c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 869 05:22:49   120.763628  +4.14  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 05:24:40    65.621765  +3.96  -15.27c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 05:25:45   290.552550  +4.56  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 05:27:35   671.728674  +4.73  -14.53c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 05:28:22   532.572877  +4.68  -15.43c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 05:29:24   454.429567  +4.55  -14.67c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 05:30:12   459.254965  +4.53  -15.43c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 876 05:30:58   116.343767  +4.08  -15.55c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 05:32:10   165.039679  +4.22  -15.06c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 878 05:33:21    87.025563  +3.93  -15.44c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 05:34:28   663.942758  +4.75  -15.10c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 880 05:35:15  1261.719073  +4.84  -15.28c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 881 05:36:24   345.898123  +4.47  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 05:37:38    63.798628  +4.05  -15.36c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 05:38:27    -8.175580  +3.19  -15.29c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 05:39:12     0.685264  +3.28  -15.42c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 05:40:21    33.417547  +3.73  -15.10c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 05:41:12     4.761985  +3.31  -15.31c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 887 05:41:57    -2.519143  +3.18  -15.13c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 888 05:42:43    25.175739  +3.61  -15.04c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 889 05:44:34    22.320025  +3.57  -15.07c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 890 05:45:23    11.992620  +3.47  -15.27c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 05:46:12    15.135565  +3.68  -15.35c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 892 05:47:03   388.463020  +4.82  -15.50c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 893 05:49:02   171.562758  +4.32  -14.91c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 894 05:50:16   347.788080  +4.56  -15.58c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 895 05:51:07   516.505553  +4.75  -15.18c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 896 05:52:12   712.646080  +4.81  -15.08c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 05:53:25   922.325357  +4.90  -14.65c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 898 05:54:30     6.382484  +3.57  -14.70c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 899 05:56:08   852.349012  +4.88  -15.32c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 900 05:56:59    89.094959  +4.33  -15.47c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 05:58:08    70.192630  +3.93  -14.65c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 902 05:58:53   320.758841  +4.63  -15.17c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 903 05:59:59   313.010058  +4.76  -15.44c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 904 06:00:56    36.960912  +4.01  -14.51c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 905 06:02:05   575.737918  +4.92  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 906 06:03:03   675.219937  +4.93  -14.78c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 907 06:03:52   641.106003  +4.89  -15.33c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 908 06:05:21   868.741611  +4.97  -15.24c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 909 06:06:45   542.276007  +4.86  -14.62c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 910 06:07:54    91.183968  +4.30  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 911 06:08:37   165.658774  +4.37  -15.27c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 06:09:16    96.420732  +4.28  -15.10c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 06:10:20   273.519576  +4.58  -15.29c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 06:11:27    73.018620  +4.14  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 915 06:12:10   475.828134  +4.81  -15.18c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 06:14:15   234.849290  +4.65  -14.68c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 917 06:15:19   340.601258  +4.77  -15.27c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 06:16:47   290.269757  +4.55  -15.49c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 06:17:48    80.822264  +4.08  -14.68c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 920 06:18:29   142.145643  +4.31  -15.17c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 921 06:19:13   499.588010  +4.82  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 06:19:52    62.996068  +4.01  -15.34c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 06:21:02   192.865096  +4.42  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 924 06:22:10   402.181291  +4.75  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 06:23:18    52.851258  +4.00  -15.51c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 926 06:24:20    15.137122  +3.79  -15.14c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 06:25:43   422.390235  +4.87  -15.38c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 928 06:26:29    22.639854  +3.87  -15.25c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 929 06:27:15   428.813830  +4.77  -15.62c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 930 06:28:02   284.247724  +4.73  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 931 06:29:06    15.527632  +3.76  -15.48c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 932 06:30:16   894.232599  +5.05  -15.06c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 933 06:31:29    28.030601  +3.88  -14.69c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 06:32:12   173.541580  +4.41  -15.62c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 935 06:33:16    35.144642  +4.00  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 936 06:34:01   241.565514  +4.63  -15.50c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 937 06:34:45    40.141343  +3.95  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 938 06:35:30    40.177868  +3.92  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 939 06:36:14     9.585639  +3.74  -15.22c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 940 06:36:56    35.942005  +4.01  -15.42c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 941 06:38:00    80.271999  +4.15  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 06:38:46    89.577131  +4.18  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 943 06:39:55     9.027325  +3.58  -15.54c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 944 06:41:01   128.039736  +4.30  -15.36c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 945 06:41:43   168.011531  +4.40  -15.24c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 946 06:42:32   141.996345  +4.43  -15.49c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 947 06:43:59   157.875620  +4.47  -15.40c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 948 06:45:29    28.910107  +3.85  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 06:46:54    25.713522  +3.82  -15.44c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 06:47:40   109.186801  +4.25  -15.14c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 951 06:49:07   139.188824  +4.39  -15.45c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 952 06:50:17    48.362013  +4.04  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 953 06:51:21    39.631482  +3.96  -15.29c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 954 06:52:54    71.346469  +4.09  -15.40c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 955 06:54:04     4.835766  +3.48  -15.05c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 956 06:55:02    -0.558234  +3.39  -14.69c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 06:56:11   303.888539  +4.73  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 958 06:57:09   491.325210  +4.86  -14.55c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 06:58:15    74.541434  +4.04  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 960 06:59:23    82.688042  +4.23  -15.46c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 961 07:00:12   582.282451  +4.93  -15.48c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 07:01:18   181.733810  +4.53  -15.45c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 963 07:02:02   336.020888  +4.64  -15.22c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 964 07:02:50  1364.422068  +5.02  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 965 07:03:49   841.743005  +4.96  -14.81c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 966 07:05:22   425.772003  +4.75  -15.27c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 967 07:06:25   452.484187  +4.70  -14.79c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 968 07:07:25   394.919834  +4.62  -14.73c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 969 07:08:13    44.430645  +3.81  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 970 07:09:21   920.998063  +4.91  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 971 07:10:02   388.448900  +4.57  -14.97c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 972 07:10:46   193.503208  +4.30  -15.20c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 07:11:56   144.896193  +4.34  -15.15c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 07:13:46   352.933567  +4.60  -14.96c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 975 07:14:51   115.680197  +4.25  -15.22c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 976 07:15:31   661.475394  +4.94  -15.19c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 977 07:16:57   890.163137  +4.94  -14.65c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 07:17:57  1053.128756  +4.90  -15.00c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 979 07:18:41  1396.101593  +4.85  -15.06c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 980 07:20:01   332.581808  +4.43  -14.80c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 981 07:20:48   849.079257  +4.85  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 982 07:21:46   718.366870  +4.77  -14.92c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 983 07:22:33   665.609411  +4.74  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 984 07:23:37   183.016710  +4.40  -14.99c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 985 07:24:19   559.890630  +4.66  -15.07c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 07:26:17    89.578169  +4.09  -15.41c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 07:27:08    39.829654  +3.83  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 988 07:28:37   241.112447  +4.44  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 07:30:09   362.060695  +4.55  -15.50c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 990 07:31:19   417.195890  +4.57  -15.24c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 991 07:32:49   545.241902  +4.58  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 07:33:36   674.301571  +4.69  -14.98c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 07:34:47    60.173684  +3.77  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 994 07:35:53   144.625359  +4.16  -15.00c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 995 07:37:00    17.209215  +3.48  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 996 07:37:48   176.643725  +4.50  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 997 07:38:30   294.140336  +4.43  -15.14c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 07:39:15   202.472427  +4.30  -15.15c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 07:40:17    91.323605  +4.01  -15.11c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 07:40:56   677.141615  +4.63  -15.29c   -2.0000           9
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


