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

User:   aes38@compute-13
Date:   Sun Oct 22 04:03:40 2023
Arch:   x86_64
Pid:    36903
CWD:    /users/home/aes38/Rydberg/new/ethylene/sicfromreal/fifthext
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: 48
OpenMP: False
OMP_NUM_THREADS: 1

Reading from /users/home/aes38/Rydberg/new/ethylene/Real/fifthext/triplet.gpw
Read dipole, energy, free_energy, magmom, magmoms
Reading input parameters:
  basis: aug-cc-pVDZ_PBE.sz
  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: False,
                restart_canonical: True,
                restartevery_iloop_notconverged: 3,
                searchdir_algo: {'name': 'l-bfgs', 'memory': 3},
                use_prec: True}
  h: 0.15
  maxiter: 1000
  mixer: {backend: no-mixing}
  mode: {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: 4e-08 eV^2 / valence electron
 Maximum number of scf [iter]ations: 1000
 (Square brackets indicate name in SCF output, whereas a 'c' in
 the SCF output indicates the quantity has converged.)

Symmetries present (total): 1

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

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

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

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: 188.22 MiB
  Calculator: 41.57 MiB
    Density: 15.11 MiB
      Arrays: 15.00 MiB
      Localized functions: 0.10 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 11.16 MiB
      Arrays: 11.15 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 15.30 MiB
      Arrays psit_nG: 13.23 MiB
      Eigensolver: 2.07 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

Total number of cores used: 48
Domain decomposition: 3 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: 237.61 MiB
  Calculator: 56.86 MiB
    Density: 15.11 MiB
      Arrays: 15.00 MiB
      Localized functions: 0.10 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 11.16 MiB
      Arrays: 11.15 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 30.60 MiB
      Arrays psit_nG: 26.46 MiB
      Eigensolver: 4.13 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

Total number of cores used: 48
Domain decomposition: 3 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: 237.61 MiB
  Calculator: 56.86 MiB
    Density: 15.11 MiB
      Arrays: 15.00 MiB
      Localized functions: 0.10 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 11.16 MiB
      Arrays: 11.15 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 30.60 MiB
      Arrays psit_nG: 26.46 MiB
      Eigensolver: 4.13 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

Total number of cores used: 48
Domain decomposition: 3 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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 | /                                                /             
 |/                                                /              
 *------------------------------------------------*               

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 04:11:08    -3.334846  +2.65  -14.77c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter:   2 04:12:53   -13.351743  +2.31  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:   3 04:19:27    -3.853275  +2.65  -15.50c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter:   4 04:20:42    -9.080184  +2.58  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:   5 04:22:05   -18.395469  +1.98  -15.36c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:   6 04:23:17   -16.324637  +2.36  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:   7 04:25:37   -18.770429  +2.14  -15.46c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:   8 04:26:47   -19.234594  +2.07  -15.04c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:   9 04:31:14   -18.103199  +2.20  -15.16c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  10 04:32:26   -18.811398  +2.17  -15.09c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  11 04:33:39   -18.402858  +2.17  -15.32c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  12 04:35:22   -17.538459  +2.28  -14.98c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  13 04:37:46   -19.096257  +2.12  -15.20c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  14 04:39:27   -17.996471  +2.32  -15.21c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  15 04:40:44   -19.685850  +2.03  -15.33c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  16 04:46:00     0.274071  +2.76  -15.24c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  17 04:48:32    -3.323402  +2.71  -15.16c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  18 04:53:10    -7.948624  +2.63  -15.22c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  19 04:54:29   -16.086929  +2.30  -15.45c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  20 04:55:36   -16.752218  +2.34  -15.48c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  21 04:58:36    -8.386373  +2.75  -15.41c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  22 05:00:28   -16.134877  +2.40  -15.51c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  23 05:02:09   -18.914772  +2.23  -15.30c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  24 05:04:24   -17.159278  +2.50  -15.26c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  25 05:05:39   -17.797161  +2.53  -15.13c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  26 05:06:51   -17.699404  +2.66  -15.41c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  27 05:07:54   -15.664855  +2.93  -15.22c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  28 05:09:40   -12.664493  +3.05  -14.65c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  29 05:11:26    -4.328958  +3.25  -15.32c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  30 05:12:40   -10.026934  +3.31  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  31 05:13:44    -9.655160  +2.75  -15.48c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  32 05:14:49    -7.417451  +3.07  -15.27c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  33 05:16:33    -5.020359  +3.33  -15.35c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  34 05:17:45    -2.435573  +3.15  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  35 05:18:57    10.777217  +3.58  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  36 05:24:52     9.314213  +3.32  -15.29c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter:  37 05:26:47    -6.853627  +2.99  -15.30c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  38 05:28:04    -9.512752  +3.10  -15.21c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  39 05:29:13   -18.867861  +2.60  -15.10c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  40 05:30:26   -11.450893  +2.77  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  41 05:31:40    -0.162027  +3.40  -14.99c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  42 05:32:55    -8.066683  +3.12  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  43 05:34:03   -18.969504  +2.54  -15.32c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  44 05:35:17     4.032407  +3.27  -15.09c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  45 05:36:25     6.768387  +3.48  -15.60c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  46 05:37:37   -14.470228  +2.76  -15.06c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  47 05:38:52   -14.809432  +2.74  -15.39c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  48 05:39:57   -15.461567  +2.88  -15.44c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  49 05:41:14    -4.178298  +3.36  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  50 05:42:31   -11.192358  +2.93  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  51 05:43:47    -6.675122  +3.24  -15.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  52 05:44:53   -10.841615  +3.34  -14.99c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  53 05:46:08    -4.754860  +3.27  -15.06c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  54 05:47:22    36.025570  +3.84  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  55 05:48:45    33.464199  +3.96  -15.46c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  56 05:50:25    92.328033  +4.32  -14.70c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  57 05:52:11    83.342094  +4.30  -14.68c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  58 05:53:21    94.243193  +4.31  -15.03c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  59 05:54:33    36.447154  +4.05  -15.44c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  60 05:55:50   244.405855  +4.71  -15.54c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  61 05:57:43    75.035385  +4.24  -15.23c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  62 05:59:44    18.457877  +3.81  -15.26c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter:  63 06:01:01   462.762333  +4.93  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  64 06:02:42   746.588533  +5.08  -14.87c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  65 06:04:23   174.312689  +4.52  -14.83c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  66 06:05:40    70.014600  +4.12  -15.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  67 06:06:56   157.721192  +4.44  -15.01c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  68 06:08:53    21.037575  +3.59  -15.16c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  69 06:12:35   358.232342  +4.86  -15.23c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter:  70 06:14:10    44.887655  +4.10  -15.26c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter:  71 06:16:49    35.905455  +3.94  -14.71c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter:  72 06:18:58    87.829017  +4.26  -14.57c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter:  73 06:20:51   181.742794  +4.54  -14.88c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  74 06:23:21    40.185668  +3.96  -15.11c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  75 06:24:44   106.422921  +4.36  -15.30c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  76 06:26:05   296.832603  +4.68  -15.22c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  77 06:27:10    37.900075  +3.97  -15.28c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  78 06:29:01   221.887058  +4.59  -14.74c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  79 06:30:13   223.180149  +4.61  -15.07c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  80 06:31:28   414.819689  +4.77  -15.25c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  81 06:32:51     1.234994  +3.50  -14.67c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  82 06:34:06   329.740771  +4.71  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  83 06:35:54   227.631934  +4.64  -15.45c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  84 06:37:33   206.810158  +4.51  -15.30c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  85 06:39:21   196.367868  +4.62  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  86 06:40:33   401.610599  +4.77  -15.42c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  87 06:42:24   502.570420  +4.83  -14.43c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  88 06:44:01   696.253017  +4.92  -14.80c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  89 06:49:17   129.154099  +4.32  -14.81c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter:  90 06:51:59   381.321636  +4.71  -14.56c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter:  91 06:53:54   298.150526  +4.61  -15.38c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  92 06:55:47   244.791981  +4.56  -14.77c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  93 06:57:04   540.414702  +4.87  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  94 06:58:52   651.758963  +4.96  -15.42c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  95 07:01:00   747.086852  +5.01  -14.83c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  96 07:02:37   220.974260  +4.50  -14.68c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  97 07:04:27   352.328542  +4.76  -15.19c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  98 07:06:46   233.763235  +4.44  -15.08c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  99 07:08:05    88.580018  +4.03  -15.27c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 100 07:10:26    67.172607  +4.12  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 101 07:11:39   386.726777  +4.76  -15.00c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 102 07:12:49    50.643695  +3.99  -15.47c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 103 07:14:32   241.788939  +4.47  -14.87c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 104 07:16:45   507.296179  +4.85  -14.81c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 105 07:19:02   196.557522  +4.42  -14.69c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 106 07:20:43   353.721532  +4.66  -14.71c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 107 07:22:31   297.160411  +4.49  -14.80c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 108 07:24:37   957.230060  +4.93  -14.66c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 109 07:27:12   168.870033  +4.43  -14.63c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 110 07:28:27   168.680686  +4.25  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 111 07:29:39    24.757751  +3.88  -15.14c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 07:30:58   346.174464  +4.55  -15.01c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 113 07:32:46   149.359093  +4.35  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 114 07:33:58   502.151458  +4.80  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 07:35:20   346.387562  +4.72  -14.74c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 07:37:03   527.171826  +4.76  -14.97c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 117 07:38:17   198.715342  +4.33  -14.71c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 118 07:39:27   168.109946  +4.26  -15.08c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 07:41:08   494.332591  +4.71  -15.10c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 07:43:03   227.910584  +4.43  -14.81c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 121 07:44:46   470.102699  +4.65  -15.28c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 122 07:45:52    47.695514  +3.92  -15.35c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 07:47:27   283.387109  +4.49  -14.94c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 124 07:49:13   108.849648  +4.16  -15.03c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 07:50:25   315.729703  +4.52  -15.14c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 07:52:23   370.059696  +4.74  -15.28c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 08:01:07   -14.733582  +2.53  -2.22    -1.9661          65
MOM has detected variational collapse, occupied orbitals have changed
iter: 128 08:03:11    38.737158  +3.95  -14.81c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 129 08:05:46   255.554128  +4.61  -14.98c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 130 08:09:08   172.144622  +4.49  -14.90c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 131 08:11:29   177.794050  +4.39  -14.36c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 132 08:12:48   139.864378  +4.35  -15.39c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 133 08:14:08   294.741086  +4.67  -15.22c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 134 08:15:55   255.404585  +4.50  -15.17c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 135 08:17:32   690.650785  +4.94  -14.61c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 136 08:20:18    37.157384  +3.89  -14.73c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 137 08:21:35   484.231794  +4.83  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 138 08:22:54   127.760023  +4.34  -15.31c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 139 08:25:08   440.418721  +4.73  -15.15c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 140 08:27:14   122.493567  +4.28  -14.76c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 141 08:28:29   356.430545  +4.62  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 142 08:30:53   225.270037  +4.59  -15.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 143 08:33:10    79.850465  +4.22  -14.86c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 144 08:35:03   445.192531  +4.81  -15.50c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 145 08:37:22   265.757894  +4.57  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 146 08:38:52   195.757012  +4.47  -14.76c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 147 08:40:02   265.921122  +4.58  -15.50c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 148 08:41:55   225.435134  +4.61  -15.48c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 149 08:43:32   169.669728  +4.45  -14.78c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 150 08:45:44   266.835369  +4.57  -15.57c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 151 08:47:30   254.030490  +4.49  -15.15c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 152 08:48:59   554.559125  +4.82  -15.05c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 153 08:50:00    34.048215  +3.80  -15.11c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 154 08:52:16    -3.556735  +3.46  -15.42c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 155 08:54:36   103.272895  +4.24  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 156 08:56:23   131.646437  +4.28  -15.05c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 157 08:58:09   100.693287  +4.22  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 158 09:00:00   324.486161  +4.72  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 159 09:01:12    17.210464  +3.76  -15.12c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 160 09:02:58   333.726957  +4.63  -15.41c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 161 09:05:53   467.527022  +4.93  -14.73c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 162 09:07:12   155.113880  +4.46  -15.25c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 163 09:08:44   210.054570  +4.42  -14.77c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 164 09:09:57    18.244601  +3.74  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 165 09:11:11    23.607245  +3.84  -15.41c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 166 09:12:19    89.704195  +4.25  -15.44c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 167 09:13:26     6.050350  +3.70  -15.20c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 09:17:40   120.553508  +4.39  -15.02c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 169 09:19:32    16.459803  +3.61  -15.41c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 170 09:20:54    36.671599  +3.86  -15.25c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 171 09:22:40    -3.670058  +3.37  -14.91c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 172 09:24:44    20.923397  +3.67  -14.84c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 173 09:26:29   142.390196  +4.37  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 174 09:27:32   619.679091  +4.87  -15.29c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 175 09:29:38    57.679262  +4.07  -14.75c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 176 09:30:48    16.985452  +3.74  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 177 09:31:56    81.687819  +4.18  -15.40c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 178 09:34:55   107.698976  +4.25  -15.11c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 179 09:36:12   412.354777  +4.69  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 180 09:37:45   650.901555  +4.87  -14.87c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 181 09:39:28   129.959103  +4.27  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 182 09:41:16    15.140435  +3.69  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 183 09:42:28    70.816663  +4.17  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 184 09:47:39    83.881343  +4.12  -15.48c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 185 09:50:01   126.316824  +4.21  -15.42c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 186 09:52:53    96.929332  +4.18  -14.77c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 187 09:54:34   222.775345  +4.43  -15.37c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 188 09:56:04   232.577949  +4.43  -14.81c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 189 09:57:16    37.219393  +3.87  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 190 09:58:31     3.905874  +3.55  -15.08c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 191 10:00:47   156.087068  +4.36  -15.44c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 192 10:02:35    51.707119  +4.02  -15.28c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 193 10:05:01    43.254587  +4.08  -15.32c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 194 10:06:10    11.056626  +3.56  -15.16c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 195 10:07:56   416.475986  +4.74  -15.50c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 196 10:09:08   118.961421  +4.35  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 197 10:10:15     4.966270  +3.60  -15.16c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 198 10:11:29    35.122730  +3.95  -15.17c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 199 10:12:43    10.356082  +3.55  -15.28c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 200 10:14:29    35.945541  +3.90  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 201 10:15:30    62.835514  +4.08  -15.22c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 202 10:16:31   275.330332  +4.48  -15.34c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 203 10:17:31   174.759588  +4.35  -15.14c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 204 10:18:32   422.134949  +4.71  -15.32c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 205 10:19:42   201.668453  +4.52  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 206 10:20:43   226.121726  +4.45  -15.57c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 207 10:22:32   110.967573  +4.29  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 208 10:23:46    25.047714  +3.87  -15.17c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 209 10:25:52   319.566046  +4.61  -14.56c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 210 10:27:33    42.901903  +3.89  -15.30c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 211 10:30:01   160.471089  +4.34  -15.24c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 212 10:31:21   185.892714  +4.35  -15.13c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 213 10:32:51   525.037737  +4.81  -14.85c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 214 10:34:57   329.660092  +4.65  -14.98c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 215 10:36:07    23.296795  +3.63  -15.39c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 216 10:37:59   346.695721  +4.60  -15.21c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 217 10:39:58    12.995592  +3.57  -15.48c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 218 10:41:01    24.974206  +3.82  -15.33c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 219 10:42:46    74.848797  +4.09  -15.13c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 220 10:44:28   143.343188  +4.30  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 221 10:46:34    69.457153  +4.08  -14.83c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 222 10:48:26   260.707165  +4.53  -15.50c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 223 10:50:34   205.657700  +4.36  -15.02c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 224 10:52:23   143.385440  +4.22  -14.99c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 225 10:54:18    30.391935  +3.86  -15.64c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 226 10:55:24     4.431022  +3.31  -15.24c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 227 10:57:42     4.323765  +3.53  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 228 10:59:29    23.398184  +3.83  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 229 11:01:15    20.178742  +3.84  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 230 11:02:16    11.095542  +3.57  -14.88c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 231 11:03:14    19.521135  +3.82  -15.12c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 232 11:04:19    59.668565  +4.21  -15.53c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 233 11:06:05   164.331329  +4.30  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 234 11:07:13    28.675262  +3.90  -15.01c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 235 11:08:54   206.127241  +4.42  -15.18c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 236 11:09:54   284.622946  +4.60  -15.16c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 237 11:11:38   532.056516  +4.74  -14.85c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 238 11:13:50    26.083922  +3.89  -14.47c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 239 11:14:53    62.329191  +4.13  -15.42c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 240 11:16:43   208.524973  +4.49  -14.98c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 241 11:18:29   125.720807  +4.35  -15.15c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 242 11:19:34    65.208197  +4.20  -15.18c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 243 11:21:18    92.773174  +4.20  -15.56c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 244 11:22:37   117.061563  +4.27  -15.28c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 245 11:23:51   201.296887  +4.45  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 246 11:24:55   770.583104  +4.87  -15.11c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 247 11:26:48    77.461431  +4.17  -15.13c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 248 11:28:04   229.317201  +4.46  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 249 11:29:41   609.943352  +4.75  -14.50c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 250 11:32:08   224.957048  +4.53  -15.32c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 251 11:33:50   325.043365  +4.65  -14.56c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 11:35:10   264.348480  +4.58  -15.44c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 253 11:37:29   223.112935  +4.44  -14.76c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 254 11:38:37    62.548050  +4.12  -15.25c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 11:39:40    52.911718  +3.87  -15.17c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 256 11:41:11    72.426791  +4.21  -14.59c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 257 11:42:28   125.282844  +4.46  -15.19c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 258 11:44:47   103.218572  +4.35  -14.82c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 11:45:50    53.889337  +4.06  -15.39c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 260 11:48:13   131.244386  +4.27  -15.02c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 261 11:50:18    74.282490  +4.24  -15.39c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 11:52:17   100.000712  +4.12  -15.13c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 263 11:53:30   315.928995  +4.74  -14.95c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 264 11:55:21   124.556137  +4.37  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 265 11:56:38   267.950961  +4.73  -15.42c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 266 11:59:06   198.546936  +4.57  -15.42c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 267 12:00:54   175.520501  +4.54  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 268 12:02:09    35.194136  +3.83  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 269 12:03:21   163.662987  +4.47  -15.13c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 270 12:04:32   584.134981  +4.83  -15.21c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 271 12:05:46   706.227003  +4.87  -15.52c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 272 12:07:01   264.854780  +4.49  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 273 12:08:05   208.784529  +4.63  -15.06c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 274 12:09:09   467.288040  +4.84  -15.08c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 275 12:10:25   169.806846  +4.39  -14.99c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 276 12:11:33   361.744634  +4.60  -15.29c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 277 12:12:37   708.676086  +4.83  -15.43c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 278 12:13:50   260.198137  +4.48  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 279 12:15:11   526.113317  +4.74  -14.70c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 280 12:16:18   220.207838  +4.40  -15.15c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 281 12:17:22   149.106503  +4.46  -15.05c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 282 12:18:22    86.752350  +4.20  -15.37c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 283 12:20:17   347.718315  +4.53  -15.33c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 12:22:03   523.196678  +4.75  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 12:23:07   173.912318  +4.43  -15.42c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 12:24:32   369.589758  +4.70  -14.56c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 287 12:26:06   437.624491  +4.80  -14.52c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 12:27:21   450.778906  +4.71  -14.84c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 289 12:28:26   601.272926  +4.76  -15.25c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 290 12:29:38    34.387040  +3.74  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 291 12:30:49  1090.960050  +4.94  -15.35c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 292 12:32:20    88.484620  +4.21  -14.66c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 293 12:33:56   180.094145  +4.45  -14.63c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 294 12:35:10   745.584114  +4.84  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 12:36:26   920.820239  +4.89  -15.09c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 12:37:52  1166.841127  +4.97  -14.67c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 297 12:39:20   516.535064  +4.61  -14.67c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 12:40:33     3.369920  +3.56  -15.51c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 12:41:47   288.698021  +4.58  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 12:44:31   222.978564  +4.52  -15.00c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 12:46:25   188.901342  +4.46  -15.21c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 12:48:51   245.696207  +4.52  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 303 12:50:45   375.927926  +4.58  -14.65c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 12:52:35   310.263916  +4.55  -14.69c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 12:54:20   512.534469  +4.68  -14.78c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 12:55:36    61.554456  +4.10  -14.99c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 307 12:58:34   373.664492  +4.74  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 308 13:00:13    64.899640  +4.20  -15.07c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 309 13:02:36    82.835444  +4.16  -15.10c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 310 13:04:19   683.576128  +4.74  -15.37c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 311 13:06:02   212.227226  +4.29  -15.40c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 13:08:12   118.175388  +4.37  -15.24c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 313 13:09:15   503.793150  +4.88  -15.15c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 314 13:10:40   294.515943  +4.62  -14.63c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 315 13:11:47   444.814286  +4.80  -15.26c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 316 13:12:59   521.919225  +4.90  -15.02c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 13:14:11    89.874928  +4.19  -15.54c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 318 13:15:21   652.471864  +5.02  -15.58c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 319 13:16:24   694.549130  +4.89  -15.40c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 320 13:17:35   470.987242  +4.76  -15.17c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 321 13:18:47   264.804588  +4.61  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 322 13:21:06    26.930232  +3.76  -15.40c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 323 13:22:18    73.328892  +4.10  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 324 13:23:28   255.386053  +4.71  -15.26c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 325 13:24:44   804.834235  +4.97  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 326 13:26:21   190.512313  +4.48  -14.75c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 327 13:27:40   640.420818  +4.89  -15.48c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 328 13:29:14   879.392194  +4.98  -14.62c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 329 13:30:37   505.119557  +4.93  -14.55c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 330 13:32:18   248.948293  +4.67  -15.24c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 331 13:33:32   234.809047  +4.46  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 13:34:42   206.206736  +4.63  -15.24c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 333 13:36:10   176.298747  +4.55  -14.61c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 334 13:37:17    72.347283  +4.25  -15.44c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 335 13:39:35   553.632310  +4.88  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 13:40:50    57.055803  +4.02  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 337 13:43:13   853.951849  +4.96  -15.11c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 338 13:44:44   666.961672  +4.93  -14.62c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 13:45:47    90.019724  +4.11  -15.29c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 340 13:48:24   137.924480  +4.44  -14.84c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 341 13:49:38   396.410513  +4.84  -15.47c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 342 13:52:24   358.267881  +4.63  -14.77c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 343 13:53:36   138.753827  +4.44  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 344 13:54:44   204.645360  +4.50  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 345 13:56:27   828.483227  +4.88  -15.24c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 346 13:58:13   583.348955  +4.95  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 347 13:59:58   396.474357  +4.72  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 14:02:53   233.245745  +4.44  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 349 14:04:32   119.757647  +4.19  -14.94c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 14:05:33   451.997431  +4.68  -15.05c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 14:07:23   477.367377  +4.70  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 14:08:56   224.167334  +4.42  -14.76c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 353 14:10:04    89.018829  +4.18  -15.47c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 14:11:12   496.919211  +4.76  -15.46c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 355 14:12:24    56.737020  +4.03  -15.42c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 356 14:14:02   166.964273  +4.26  -15.19c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 357 14:15:06   146.584923  +4.34  -15.30c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 14:16:31   259.804097  +4.56  -14.77c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 14:18:12   671.915563  +4.91  -15.15c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 14:19:40  1262.944275  +5.04  -14.76c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 361 14:21:24   352.851544  +4.56  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 14:23:38   263.393881  +4.54  -15.34c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 363 14:24:48   263.598881  +4.55  -15.42c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 364 14:26:20   356.728322  +4.66  -14.55c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 365 14:27:28    12.260386  +3.48  -15.14c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 366 14:29:45   359.205259  +4.68  -15.15c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 367 14:30:57   185.826672  +4.42  -15.40c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 368 14:33:19   155.692351  +4.33  -15.03c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 369 14:34:27   220.423779  +4.47  -15.16c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 370 14:36:46   737.939702  +4.93  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 371 14:38:00   355.836602  +4.65  -15.39c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 372 14:39:30   534.982315  +4.78  -14.87c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 14:46:16   276.852234  +4.62  -14.81c   -2.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 374 14:48:15   178.182335  +4.43  -15.22c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 375 14:49:54   433.744582  +4.73  -14.92c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 14:51:34   378.136938  +4.70  -14.79c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 377 14:52:37   490.401180  +4.66  -15.18c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 14:54:16   211.907644  +4.47  -14.73c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 14:55:29   348.341305  +4.56  -15.54c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 380 14:57:01    55.190925  +3.87  -14.73c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 14:58:43   288.874633  +4.58  -14.94c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 382 15:00:07   285.582979  +4.58  -14.84c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 383 15:01:16   124.049902  +4.18  -15.17c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 384 15:02:24   187.172852  +4.36  -15.26c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 15:03:27   186.885680  +4.25  -15.21c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 386 15:04:48   250.001109  +4.37  -14.78c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 15:06:03   389.136399  +4.59  -15.31c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 388 15:07:08   800.696566  +4.73  -15.43c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 389 15:08:29   658.156506  +4.70  -14.68c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 15:09:41    47.472695  +3.95  -15.06c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 391 15:11:23    90.602471  +4.24  -15.23c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 392 15:12:24   210.350904  +4.38  -15.08c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 393 15:13:38   204.858226  +4.39  -14.73c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 394 15:14:48   234.960323  +4.59  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 15:16:25   241.613846  +4.59  -15.11c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 396 15:18:13   143.818601  +4.46  -15.23c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 397 15:19:16   217.948086  +4.51  -15.19c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 398 15:22:13   318.946303  +4.76  -15.38c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 15:23:56  1041.422927  +4.92  -15.36c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 400 15:25:04    78.533468  +4.03  -15.43c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 401 15:27:14  1087.787509  +4.88  -15.17c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 15:28:17   178.470337  +4.42  -15.40c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 15:30:05   528.177344  +4.78  -15.18c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 15:31:41   337.934139  +4.77  -15.63c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 15:33:13   244.159882  +4.59  -14.83c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 15:34:21   211.897558  +4.63  -15.24c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 15:35:26   382.721175  +4.80  -15.18c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 15:38:14   203.911878  +4.44  -14.85c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 409 15:39:22    49.586254  +3.96  -15.40c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 410 15:40:55   125.326014  +4.36  -14.95c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 411 15:42:16   239.023967  +4.57  -14.75c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 412 15:44:21   403.711739  +4.68  -14.58c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 413 15:46:03   234.154917  +4.49  -14.58c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 15:47:10   310.675369  +4.57  -15.19c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 415 15:49:33   220.028527  +4.57  -15.20c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 416 15:51:57   253.198242  +4.65  -15.35c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 15:53:30   495.039423  +4.88  -14.84c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 418 15:54:35   564.547034  +4.89  -15.10c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 419 15:55:40   443.678519  +4.78  -14.93c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 15:56:48   173.557733  +4.48  -15.24c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 15:57:58   878.632723  +4.94  -15.31c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 15:59:26   698.284459  +4.90  -14.91c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 423 16:01:47   592.005729  +4.96  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 16:03:30   156.769738  +4.30  -15.20c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 425 16:05:53   567.503737  +4.83  -15.16c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 16:06:54   288.121058  +4.61  -15.35c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 16:08:38   334.071647  +4.56  -15.63c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 428 16:09:47   381.884797  +4.60  -15.49c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 16:11:11   123.887582  +4.17  -14.77c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 16:12:15  1316.781532  +4.97  -15.35c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 16:15:32   170.413693  +4.50  -14.70c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 432 16:16:42   244.798270  +4.42  -15.46c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 16:18:35   353.679441  +4.69  -14.91c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 434 16:19:45   335.290342  +4.52  -15.16c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 16:22:04    82.718421  +4.17  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 16:23:16   125.079530  +4.33  -15.46c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 16:24:24   142.143169  +4.42  -15.37c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 438 16:25:27   250.660222  +4.55  -15.45c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 439 16:26:46   382.097370  +4.70  -14.91c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 16:29:02   103.976917  +4.19  -15.11c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 441 16:30:48   190.751006  +4.35  -15.14c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 442 16:32:33   182.996891  +4.25  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 443 16:33:41   243.975335  +4.60  -15.11c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 16:35:21   103.348670  +4.32  -15.43c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 16:37:00   242.768080  +4.53  -15.16c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 446 16:38:03   336.773525  +4.57  -15.40c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 447 16:39:07   165.333471  +4.40  -15.01c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 448 16:40:28    74.749302  +4.12  -14.85c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 449 16:41:30    74.130926  +4.03  -15.24c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 16:42:42   128.726119  +4.39  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 16:43:52   116.023398  +4.15  -15.31c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 16:44:55  1674.074589  +4.96  -15.11c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 453 16:47:30     6.968364  +3.55  -14.61c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 16:48:33    20.294798  +3.69  -15.26c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 455 16:50:13   501.697458  +4.70  -15.33c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 456 16:52:29   200.187183  +4.30  -15.51c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 457 16:53:30   416.123198  +4.71  -15.42c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 458 16:54:58   487.318113  +4.76  -14.64c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 459 16:56:48   687.301006  +4.83  -14.81c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 460 16:58:14   262.631458  +4.54  -14.62c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 16:59:24   328.782783  +4.72  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 17:01:01   194.675368  +4.36  -15.60c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 463 17:02:04   233.477733  +4.42  -15.08c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 464 17:03:40    79.338364  +4.00  -15.46c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 17:04:52   295.581874  +4.53  -15.56c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 466 17:07:34   124.800682  +4.12  -14.57c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 17:09:57    13.630198  +3.52  -15.38c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 17:11:07   235.277992  +4.57  -15.17c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 17:12:49  1380.859230  +4.92  -15.53c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 470 17:14:16   463.608352  +4.62  -14.90c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 471 17:15:23  1216.088198  +4.88  -15.22c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 17:16:26    65.294749  +3.93  -15.42c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 17:18:04   231.169755  +4.55  -15.26c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 17:19:07    66.916540  +3.98  -15.40c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 17:20:19   591.525532  +4.64  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 17:21:17  1229.683590  +4.88  -15.14c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 477 17:22:56  1070.734976  +4.87  -14.93c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 17:24:44   210.351066  +4.38  -15.14c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 17:26:57    51.997186  +3.98  -14.81c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 17:28:21    50.881148  +4.02  -14.69c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 481 17:29:26   242.980473  +4.36  -15.14c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 482 17:30:32   446.965869  +4.77  -14.97c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 483 17:32:22    95.721862  +4.16  -15.12c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 484 17:34:40   275.715924  +4.67  -15.56c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 17:35:55   228.674217  +4.46  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 486 17:38:18    74.041998  +4.07  -15.44c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 487 17:39:23   500.077051  +4.78  -15.47c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 488 17:40:54   322.312372  +4.72  -15.01c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 489 17:41:54   103.008205  +4.23  -15.10c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 17:43:04   417.498592  +4.79  -15.35c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 491 17:44:07   226.364170  +4.42  -15.35c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 17:45:09   344.632639  +4.75  -15.36c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 493 17:46:07   131.757545  +4.36  -15.40c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 494 17:47:08   522.028478  +4.69  -15.13c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 495 17:49:19   245.509667  +4.41  -15.43c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 496 17:50:22   206.280972  +4.38  -15.17c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 17:53:14   590.588430  +4.85  -15.10c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 17:54:35   820.342956  +4.96  -14.83c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 17:56:49   335.286340  +4.57  -15.16c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 500 17:58:59   130.915703  +4.08  -15.08c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 18:00:49   569.892389  +4.79  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 18:02:33   207.021899  +4.35  -15.39c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 18:03:56   263.445180  +4.40  -14.74c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 504 18:05:02   141.512612  +4.19  -15.17c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 505 18:06:07    30.900265  +3.60  -15.27c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 506 18:07:30    13.239241  +3.46  -14.82c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 507 18:08:34   393.349902  +4.53  -15.04c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 18:09:36   248.451922  +4.34  -15.42c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 509 18:11:20   162.839228  +4.37  -14.64c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 510 18:12:18  1058.554108  +4.83  -15.23c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 511 18:13:53   751.282056  +4.77  -14.81c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 512 18:14:56   407.963788  +4.59  -15.06c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 513 18:15:52  1363.532304  +4.93  -15.20c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 18:16:55    82.670775  +3.99  -15.49c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 515 18:17:59   526.361443  +4.67  -15.31c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 18:19:00   145.300273  +4.20  -15.15c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 517 18:20:01  1878.336241  +4.91  -15.49c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 18:21:00   180.431533  +4.36  -15.41c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 18:23:17   313.704842  +4.41  -15.48c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 520 18:24:43   131.846902  +4.16  -14.86c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 521 18:26:24   404.329614  +4.67  -14.97c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 522 18:27:30   151.419320  +4.23  -15.14c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 523 18:28:49   148.110019  +4.30  -14.57c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 524 18:29:50  1097.024939  +4.87  -15.29c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 525 18:30:47   481.061197  +4.88  -14.93c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 526 18:32:13   652.688626  +4.70  -14.48c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 18:33:14   636.389604  +4.88  -15.18c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 18:35:35   699.785693  +4.74  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 18:36:36   673.980528  +4.78  -15.48c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 18:38:20   300.827220  +4.64  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 18:39:23    21.045390  +3.72  -15.16c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 18:40:27   499.580360  +4.72  -15.49c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 18:41:48   153.486369  +4.44  -14.84c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 534 18:43:31   347.121481  +4.53  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 535 18:45:15   643.843447  +4.76  -15.18c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 536 18:46:21   501.751532  +4.68  -15.40c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 537 18:47:24   504.852223  +4.70  -15.09c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 538 18:48:34   527.482051  +4.65  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 18:50:54   276.562073  +4.48  -15.15c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 540 18:52:35   214.450066  +4.45  -15.22c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 541 18:53:41    37.250734  +3.80  -15.35c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 542 18:54:47    57.394337  +3.97  -15.39c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 543 18:56:11   158.549595  +4.36  -14.76c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 544 18:57:58    92.371846  +4.11  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 545 18:59:01    48.027585  +3.85  -15.24c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 546 19:00:02   155.087046  +4.16  -14.98c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 547 19:01:08   119.248375  +4.21  -15.46c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 548 19:02:07   194.740354  +4.46  -15.20c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 549 19:03:09   200.548688  +4.43  -15.37c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 19:04:30   779.748112  +4.82  -14.55c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 551 19:05:52    72.183655  +4.14  -14.77c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 552 19:06:55    47.610522  +4.02  -15.43c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 553 19:07:57   181.090030  +4.50  -15.12c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 19:09:02   396.093117  +4.59  -14.94c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 555 19:10:07   658.601776  +4.79  -15.48c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 19:11:02   175.384000  +4.38  -15.39c   -2.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 19:12:42   538.735672  +4.62  -15.48c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 19:15:34   162.311461  +4.46  -15.08c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 559 19:16:38   122.916774  +4.19  -15.33c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 560 19:18:02   217.995807  +4.31  -14.76c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 19:19:30   163.290658  +4.34  -14.73c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 562 19:21:08   238.766413  +4.46  -15.35c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 19:22:09   213.685461  +4.24  -15.33c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 19:23:13   344.409408  +4.49  -15.37c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 565 19:24:17   435.255003  +4.50  -15.33c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 566 19:25:48    14.096025  +3.57  -14.48c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 19:26:59   441.642288  +4.54  -15.49c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 568 19:28:04   131.391632  +4.04  -15.29c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 19:29:18    -9.040898  +2.93  -14.59c   -2.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter: 570 19:30:22    75.920524  +4.05  -15.38c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 19:31:28   355.264383  +4.46  -15.36c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 19:32:23    -1.609692  +3.12  -15.48c   -2.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 19:33:27   637.262464  +4.67  -15.13c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 19:36:19   687.476588  +4.71  -15.13c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 575 19:37:59   264.678244  +4.53  -15.40c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 576 19:39:46   397.026795  +4.65  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 577 19:43:16   198.205671  +4.58  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 19:44:38   195.196920  +4.55  -14.65c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 579 19:46:49    98.475315  +4.33  -15.36c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 580 19:48:09   117.341109  +4.34  -14.92c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 581 19:50:59   559.190302  +4.70  -15.33c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 582 19:52:05   349.138182  +4.45  -15.37c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 19:53:09   181.117028  +4.31  -14.93c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 584 19:54:15   440.314495  +4.72  -15.51c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 19:55:19    70.804531  +4.13  -15.34c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 19:57:33   325.958697  +4.63  -15.26c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 20:04:45     3.282478  +2.89  -1.93    -1.9648          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 20:06:28   873.313899  +4.77  -15.01c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 20:07:35   165.807849  +4.26  -15.36c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 20:09:23   133.772499  +4.14  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 591 20:10:32   905.598645  +4.77  -15.49c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 592 20:11:53   947.714631  +4.76  -14.84c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 20:12:57   670.854971  +4.76  -15.14c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 594 20:13:59   720.254044  +4.70  -15.27c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 595 20:15:09   342.581368  +4.42  -15.41c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 596 20:16:16   190.814341  +4.30  -15.34c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 597 20:18:10   161.134152  +4.15  -14.71c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 598 20:19:14    35.848738  +3.78  -15.50c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 599 20:20:22   245.561560  +4.39  -15.29c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 600 20:21:24   734.404179  +4.81  -14.98c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 601 20:23:45   363.846275  +4.50  -15.20c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 602 20:26:47   543.438449  +4.65  -15.03c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 603 20:28:21   610.001524  +4.80  -14.83c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 604 20:29:53   511.338290  +4.62  -14.88c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 605 20:31:20   282.180130  +4.46  -14.78c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 606 20:32:32   128.845468  +4.15  -15.15c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 607 20:35:19   186.232801  +4.29  -14.89c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 608 20:37:44   482.863963  +4.68  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 20:39:25   317.571011  +4.67  -15.34c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 610 20:41:18   413.251455  +4.65  -15.17c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 611 20:42:48   283.438273  +4.56  -14.68c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 20:43:49   163.880031  +4.20  -15.23c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 613 20:46:27   153.676847  +4.46  -14.87c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 614 20:48:08    41.864199  +3.84  -15.08c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 615 20:50:25   282.031181  +4.56  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 616 20:52:10   186.109136  +4.27  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 617 20:55:34   237.886651  +4.44  -14.67c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 618 20:57:46   503.454475  +4.60  -15.26c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 20:58:52    70.654797  +3.95  -15.54c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 620 21:00:20   312.303006  +4.58  -14.45c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 621 21:01:28   420.134433  +4.70  -15.01c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 622 21:03:04   379.042528  +4.54  -15.44c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 21:04:30   358.102004  +4.53  -14.68c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 21:05:29   368.074132  +4.66  -15.10c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 625 21:06:32   450.295703  +4.63  -15.16c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 21:07:35   612.916549  +4.65  -15.20c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 21:08:40   547.621573  +4.78  -15.11c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 21:09:41   545.392590  +4.63  -15.23c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 629 21:10:38   946.856652  +4.79  -15.13c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 630 21:11:39   640.078568  +4.64  -15.38c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 631 21:12:35   902.924942  +4.75  -15.44c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 21:13:38   782.179191  +4.68  -15.29c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 633 21:14:45  1222.173457  +4.81  -15.36c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 21:16:11   133.707394  +4.39  -14.79c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 635 21:17:12   238.053711  +4.53  -15.12c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 636 21:18:28   628.975045  +4.67  -15.12c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 637 21:19:49   357.678468  +4.51  -14.72c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 638 21:22:06   681.437362  +4.78  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 639 21:23:11    76.127004  +3.96  -15.02c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 640 21:24:10   856.604757  +4.75  -14.95c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 21:26:27   266.338183  +4.37  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 642 21:27:27   750.821110  +4.71  -15.34c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 643 21:28:35   316.382988  +4.45  -15.10c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 21:30:30   177.730734  +4.15  -14.80c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 645 21:32:35   334.308551  +4.71  -14.49c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 646 21:34:03   274.311234  +4.71  -14.90c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 21:35:07   177.094325  +4.50  -15.13c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 648 21:36:37   340.644516  +4.54  -14.62c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 649 21:38:18   714.555162  +4.72  -15.08c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 650 21:41:11   656.482422  +4.78  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 651 21:42:18    46.318006  +3.77  -15.21c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 21:44:53   161.947409  +4.35  -14.76c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 653 21:46:34   836.802068  +4.89  -15.27c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 21:48:49    57.430320  +4.09  -14.84c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 655 21:50:00   401.003028  +4.75  -15.19c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 21:51:39   221.714174  +4.49  -15.39c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 21:53:16   291.190490  +4.62  -15.45c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 21:54:26    80.110620  +3.91  -14.46c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 21:56:42   115.905661  +4.29  -15.54c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 21:57:46   524.018398  +4.80  -15.21c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 21:59:11  1464.483406  +4.89  -14.80c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 662 22:00:40   232.740081  +4.54  -14.70c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 663 22:02:25  1554.951041  +4.92  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 664 22:03:44  1175.915726  +4.86  -14.73c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 22:05:02  1146.194378  +4.87  -14.63c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 666 22:07:23   245.108692  +4.34  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 667 22:08:30   112.325135  +4.12  -15.33c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 668 22:09:32   258.763033  +4.48  -15.38c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 669 22:10:58   360.200362  +4.58  -14.95c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 22:12:06   252.380543  +4.50  -15.41c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 22:13:16   288.846791  +4.47  -15.39c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 672 22:14:26  1108.841341  +4.76  -15.31c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 673 22:15:29   292.616820  +4.50  -15.16c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 674 22:16:33   202.657315  +4.47  -15.42c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 675 22:18:12   113.628747  +4.23  -14.96c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 676 22:20:31    20.272593  +3.69  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 677 22:21:41   183.600536  +4.35  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 678 22:23:27   533.033574  +4.81  -15.45c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 679 22:25:22   486.754465  +4.74  -14.67c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 680 22:26:25   515.291704  +4.66  -15.31c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 681 22:27:46   305.354378  +4.46  -14.93c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 22:29:00   455.914611  +4.64  -14.80c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 683 22:30:00   454.869488  +4.70  -15.47c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 684 22:31:38   406.668689  +4.80  -15.20c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 22:32:41   100.079933  +4.16  -15.16c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 686 22:34:36   226.590919  +4.53  -14.40c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 687 22:35:52   235.298904  +4.60  -14.79c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 688 22:38:42   103.862231  +4.12  -15.37c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 22:41:01    24.085425  +3.80  -14.83c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 690 22:43:25   389.124715  +4.76  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 691 22:44:26   202.096063  +4.53  -15.36c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 692 22:45:29   560.150850  +4.73  -15.03c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 693 22:48:27   382.067563  +4.68  -14.97c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 694 22:49:43   549.583026  +4.75  -14.60c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 22:50:47   606.548383  +4.90  -15.33c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 22:51:50   499.858937  +4.65  -15.22c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 697 22:52:53   278.230738  +4.47  -15.04c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 698 22:54:31   624.602161  +4.83  -15.32c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 22:55:32   860.024180  +4.97  -15.47c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 700 22:58:35   631.220977  +4.68  -15.37c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 701 22:59:51   157.224380  +4.10  -14.87c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 702 23:00:57   792.049358  +4.74  -15.30c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 23:02:16   914.122475  +4.82  -14.65c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 704 23:03:36  1170.050295  +4.85  -14.80c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 705 23:05:00   882.712826  +4.86  -14.82c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 706 23:06:05  1582.114131  +4.92  -15.21c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 707 23:07:26   129.872329  +4.25  -14.88c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 708 23:09:42  1042.537413  +4.89  -15.09c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 709 23:10:52    70.709898  +3.93  -14.97c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 23:12:21   220.938659  +4.36  -14.77c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 711 23:13:31   753.085558  +4.76  -15.45c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 23:14:59   371.874727  +4.62  -14.69c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 713 23:16:13   239.304431  +4.49  -14.82c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 23:17:51   437.343015  +4.56  -15.46c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 715 23:18:52   134.033947  +4.30  -15.28c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 716 23:21:42   992.554933  +4.83  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 717 23:22:51   254.375835  +4.66  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 718 23:24:36   265.474740  +4.52  -15.47c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 719 23:26:06   440.322425  +4.68  -14.38c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 23:27:51   659.130475  +4.88  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 721 23:29:03   155.902440  +4.33  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 722 23:30:51   952.679973  +4.92  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 23:33:46   205.380776  +4.50  -14.83c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 724 23:34:53   251.791136  +4.49  -15.41c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 23:36:03   911.174889  +4.88  -15.16c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 726 23:37:15    60.851990  +3.97  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 727 23:39:14   125.361225  +4.22  -14.80c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 728 23:40:59   193.927412  +4.31  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 729 23:42:02   221.174787  +4.46  -15.25c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 730 23:43:07   393.420977  +4.70  -15.33c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 731 23:44:10   253.272870  +4.56  -15.11c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 732 23:45:32   186.226818  +4.47  -14.42c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 733 23:46:30   328.017595  +4.68  -15.47c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 734 23:48:06   474.193488  +4.79  -15.36c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 23:49:04   388.126776  +4.62  -15.38c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 23:50:07   839.321549  +4.86  -15.00c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 23:51:21  1005.419817  +4.94  -14.76c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 738 23:52:22  1150.239981  +4.95  -15.36c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 23:53:25   477.766469  +4.67  -15.65c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 23:54:24   808.009720  +4.85  -15.32c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 23:56:43   134.438181  +4.16  -15.45c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 742 23:57:48   474.988930  +4.70  -15.05c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 743 23:58:55   313.760253  +4.55  -15.43c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 744 00:00:42   591.840498  +4.70  -15.47c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 745 00:04:14   546.073215  +4.71  -14.85c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 00:05:58   501.148083  +4.67  -14.72c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 00:07:14    92.427254  +4.06  -15.39c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 748 00:08:51   317.154397  +4.67  -14.50c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 749 00:15:26   222.761647  +4.46  -15.05c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 750 00:16:50    32.641272  +3.78  -15.35c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 00:18:36   152.849756  +4.26  -14.65c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 00:22:29   258.588855  +4.41  -14.62c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 753 00:24:12   148.014367  +4.26  -14.92c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 754 00:26:33    77.310261  +4.11  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 755 00:27:38   501.966544  +4.64  -15.24c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 756 00:28:48   367.201331  +4.61  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 757 00:31:12   282.376785  +4.50  -15.35c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 758 00:32:12   260.099733  +4.56  -15.07c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 759 00:33:15   977.245237  +4.84  -15.10c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 760 00:35:43   675.802483  +4.84  -15.23c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 00:37:48   482.127611  +4.60  -14.98c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 00:39:19   948.447913  +4.93  -15.04c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 00:40:26   229.704084  +4.44  -15.03c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 764 00:41:31  1166.521604  +4.94  -15.08c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 765 00:43:12   632.397675  +4.71  -15.38c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 00:44:55   286.034727  +4.55  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 00:46:01   119.812211  +4.12  -15.11c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 768 00:47:01   343.111708  +4.49  -15.33c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 769 00:48:07   620.257849  +4.62  -15.09c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 00:49:09   961.059791  +4.69  -15.35c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 00:51:24    94.508891  +4.27  -15.07c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 772 00:52:29   632.832961  +4.75  -15.39c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 773 00:53:50    70.819686  +4.11  -14.87c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 774 00:54:51   666.852409  +4.58  -15.22c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 00:55:50   179.938942  +4.30  -15.11c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 00:56:53    62.098917  +4.07  -14.99c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 00:57:49   697.970565  +4.79  -15.42c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 778 00:58:52    88.359807  +4.21  -15.22c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 779 01:00:44   112.491520  +4.15  -14.60c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 780 01:05:12   344.215233  +4.55  -14.82c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 781 01:06:53   514.357858  +4.62  -14.84c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 782 01:08:09   296.726664  +4.41  -14.75c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 01:09:55   502.192656  +4.59  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 01:12:27   587.435064  +4.81  -15.42c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 01:13:44    64.791761  +3.90  -15.10c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 786 01:14:52   560.444790  +4.82  -15.35c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 01:16:26   123.352175  +4.29  -14.62c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 01:18:14   572.821726  +4.84  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 01:19:24   955.147999  +4.83  -15.53c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 01:20:22   750.798003  +4.87  -15.36c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 01:21:23  1038.587055  +4.75  -15.42c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 01:22:26   867.494184  +4.87  -15.40c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 793 01:23:34   241.441742  +4.66  -15.29c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 01:25:51    85.985042  +3.99  -14.73c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 01:28:15    26.244136  +3.53  -15.48c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 01:30:05   135.692334  +4.29  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 797 01:31:17   659.071714  +4.79  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 798 01:32:24    95.214053  +4.30  -15.18c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 01:33:38   368.946379  +4.48  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 01:34:48  1032.229972  +4.86  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 01:35:58    19.860689  +3.78  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 01:37:08   177.909521  +4.34  -15.11c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 01:38:07   425.437621  +4.63  -15.15c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 01:39:21   200.564665  +4.50  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 01:40:32   218.881815  +4.22  -15.24c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 01:41:46    33.452450  +3.81  -15.46c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 01:43:01  1424.757714  +4.87  -15.03c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 01:44:51   741.425737  +4.88  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 01:46:10   688.548069  +4.82  -14.75c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 01:48:29   719.224843  +4.69  -15.45c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 01:50:09   810.811319  +4.70  -14.51c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 01:51:12   350.603852  +4.55  -15.29c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 01:52:18   124.332611  +4.30  -15.29c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 01:53:19   414.927839  +4.46  -15.36c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 01:54:20   602.884998  +4.66  -15.23c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 01:55:32   831.099602  +4.83  -14.93c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 01:56:47   210.277271  +4.34  -14.78c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 01:58:11  1097.655992  +4.71  -14.69c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 01:59:15   442.902112  +4.49  -15.30c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 02:00:30   131.144252  +4.36  -14.90c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 02:01:31   205.679063  +4.35  -15.25c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 02:02:32   581.451088  +4.79  -15.43c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 02:03:29   156.055685  +4.28  -15.16c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 02:05:28    34.952618  +3.67  -14.57c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 02:06:37    65.251422  +3.84  -15.24c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 02:08:52   702.997466  +4.66  -15.47c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 02:09:55   268.860991  +4.57  -15.21c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 02:11:44   597.025752  +4.60  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 02:13:19  1145.234473  +4.80  -15.26c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 02:14:38  1340.431422  +4.79  -14.82c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 02:16:07   108.284569  +3.96  -14.77c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 832 02:17:08   228.301996  +4.41  -15.15c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 833 02:18:11   165.696161  +4.05  -15.35c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 02:19:17   105.398487  +3.89  -14.76c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 02:20:54    21.668822  +3.69  -15.34c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 02:21:54   235.366784  +4.35  -15.33c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 02:22:57   184.001436  +4.35  -14.85c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 838 02:23:59   742.666081  +4.65  -15.18c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 02:25:21   116.465127  +4.11  -14.76c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 02:28:32   247.007971  +4.33  -14.44c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 02:30:21   674.626338  +4.64  -14.83c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 02:32:28   585.724030  +4.64  -14.69c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 02:35:51   218.489144  +4.23  -14.96c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 02:37:41   962.205460  +4.79  -15.21c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 02:40:04    95.124283  +3.93  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 02:41:12   288.630644  +4.38  -15.35c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 02:43:01    17.478865  +3.44  -15.41c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 02:44:16    10.934184  +3.31  -15.42c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 02:45:20   148.149942  +4.32  -15.28c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 02:47:42   144.204061  +4.17  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 02:50:14   362.641646  +4.48  -15.39c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 02:52:11   190.183357  +4.34  -15.09c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 853 02:53:53    81.090362  +4.07  -14.78c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 02:55:06   460.938270  +4.53  -15.46c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 855 02:56:19    64.784108  +3.99  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 856 02:57:30    36.396131  +3.88  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 02:58:41    50.710003  +3.92  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 02:59:50    27.737124  +3.72  -15.30c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 03:01:01    14.000751  +3.60  -15.20c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 03:02:16     9.367818  +3.51  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 03:03:23    15.385825  +3.60  -15.41c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 03:04:29   197.765952  +4.45  -15.28c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 03:06:19   921.637648  +4.80  -15.07c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 03:08:07    91.418749  +3.96  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 03:09:15   145.072122  +4.27  -15.38c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 03:10:31   185.817951  +4.29  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 03:11:47    93.913505  +4.13  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 868 03:12:55    15.691284  +3.54  -15.23c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 869 03:20:06   -10.444343  +2.95  -2.07    -2.0016          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 03:22:34   140.140965  +4.24  -15.07c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 03:23:48   216.670852  +4.36  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 03:25:02     9.994010  +3.38  -15.11c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 03:28:31   185.001045  +4.29  -15.07c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 03:30:22     8.015890  +3.45  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 03:42:38    23.165966  +3.13  -1.97    -1.9765         116
iter: 876 03:48:22    16.126684  +3.32  -2.02    -1.9961         103
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 03:52:34   731.718003  +4.78  -14.75c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 878 03:54:24   782.019948  +4.81  -14.81c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 03:55:50   976.970568  +4.84  -14.88c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 880 03:57:19    77.106398  +3.92  -14.73c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 881 03:58:25   313.273480  +4.41  -15.35c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 04:00:55   147.737011  +4.26  -15.15c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 04:04:27    70.930960  +4.05  -14.77c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 04:05:52    33.267065  +3.62  -15.20c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 04:07:34   245.967397  +4.45  -14.69c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 04:10:10   229.514083  +4.29  -15.18c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 887 04:12:01    37.498631  +3.64  -14.48c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 888 04:13:23   121.064136  +4.02  -14.71c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 889 04:14:29   499.588556  +4.57  -15.31c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 890 04:17:27   125.895473  +4.04  -15.31c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 04:18:35   248.644077  +4.34  -15.41c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 892 04:20:46    89.177498  +3.95  -14.59c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 893 04:22:45   479.881732  +4.64  -15.24c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 894 04:24:03   550.226412  +4.73  -15.08c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 895 04:25:09   464.049444  +4.51  -15.10c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 896 04:26:14   397.928043  +4.59  -15.34c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 04:29:23   833.203468  +4.67  -15.47c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 898 04:30:39   646.057872  +4.69  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 899 04:31:48  1192.896922  +4.80  -15.30c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 900 04:33:00   381.958649  +4.54  -15.53c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 04:34:13  1126.444384  +4.88  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 902 04:42:24    -1.871054  +3.11  -2.00    -1.9972          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 903 04:44:29   348.521905  +4.51  -14.61c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 904 04:46:32   140.718628  +4.20  -14.44c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 905 04:48:14  1177.542958  +4.74  -15.33c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 906 04:49:18   374.670893  +4.60  -15.18c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 907 04:51:05   169.050118  +4.33  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 908 04:52:53   140.010458  +4.26  -15.40c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 909 04:54:02   816.228127  +4.82  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 910 04:56:16   123.305158  +4.13  -15.40c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 911 04:57:45   196.534876  +4.33  -14.76c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 04:59:30   632.200155  +4.67  -15.14c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 05:00:41   779.845737  +4.68  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 05:02:38   461.990443  +4.46  -14.65c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 915 05:03:53    25.742863  +3.62  -14.71c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 05:05:05   144.474102  +4.06  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 917 05:06:13   143.270539  +4.10  -15.20c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 05:07:58    15.315672  +3.63  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 05:09:04   215.239463  +4.34  -15.06c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 920 05:10:52   254.954840  +4.33  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 921 05:12:39    83.566377  +3.96  -15.06c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 05:13:49   135.543722  +4.20  -15.13c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 05:15:23   196.408743  +4.32  -14.79c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 924 05:16:36    76.951194  +4.06  -15.12c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 05:17:40   442.925593  +4.54  -15.21c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 926 05:18:45    15.269566  +3.56  -15.07c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 05:19:49   382.132759  +4.58  -15.04c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 928 05:22:08   360.286346  +4.51  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 929 05:24:28   642.129438  +4.79  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 930 05:25:30   257.420449  +4.33  -15.21c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 931 05:26:32   357.418196  +4.60  -15.30c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 932 05:27:33   287.070396  +4.42  -15.37c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 933 05:28:37   310.755393  +4.42  -15.26c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 05:29:45   320.717237  +4.38  -15.14c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 935 05:31:24   510.057467  +4.55  -15.26c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 936 05:33:30   670.796357  +4.62  -14.83c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 937 05:35:49   343.774792  +4.55  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 938 05:36:58   656.011440  +4.62  -15.37c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 939 05:38:42   678.513594  +4.76  -14.62c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 940 05:41:07   169.658796  +4.25  -15.05c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 941 05:43:02    18.184391  +3.48  -15.43c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 05:44:19  1171.987773  +4.84  -15.16c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 943 05:45:23    74.974207  +3.90  -15.50c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 944 05:46:29   345.509650  +4.53  -15.41c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 945 05:48:13   284.391877  +4.35  -15.42c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 946 05:49:25  1149.533583  +4.94  -15.01c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 947 05:51:21   296.280929  +4.38  -15.24c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 948 05:52:27   378.602855  +4.47  -15.23c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 05:54:16   272.781463  +4.38  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 05:56:01   206.254869  +4.26  -15.19c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 951 05:58:20   277.640537  +4.38  -15.24c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 952 06:00:22   334.760929  +4.44  -14.80c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 953 06:02:41   307.541415  +4.52  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 954 06:04:49    98.832271  +4.11  -14.83c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 955 06:05:53   288.454600  +4.46  -15.25c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 956 06:06:57   199.440876  +4.25  -15.02c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 06:08:25   302.879578  +4.47  -14.89c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 958 06:09:27   717.557613  +4.75  -15.55c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 06:10:32   344.109919  +4.54  -15.38c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 960 06:11:33   193.236489  +4.23  -15.24c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 961 06:12:35   477.093488  +4.64  -15.28c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 06:13:40   614.101882  +4.72  -15.20c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 963 06:14:46    77.856924  +3.94  -15.15c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 964 06:15:55   605.166454  +4.61  -15.45c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 965 06:16:55   754.360743  +4.83  -15.29c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 966 06:18:35    93.161699  +4.03  -15.36c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 967 06:19:36   109.675172  +4.12  -15.16c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 968 06:21:15   140.459149  +4.21  -15.56c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 969 06:23:55    84.785948  +4.01  -14.67c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 970 06:28:35    90.945098  +4.08  -15.06c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 971 06:30:18   273.774936  +4.40  -15.23c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 972 06:33:18   824.980708  +4.74  -15.13c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 06:34:36   428.823760  +4.56  -14.65c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 06:36:21   699.280755  +4.65  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 975 06:38:35   158.341475  +4.22  -14.62c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 976 06:41:02   103.597512  +4.00  -15.45c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 977 06:43:51   204.502106  +4.41  -14.64c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 06:44:55   230.369741  +4.29  -15.28c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 979 06:46:45   106.536787  +4.10  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 980 06:52:36   853.615380  +4.76  -14.78c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 981 06:56:03   133.040121  +4.22  -14.84c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 982 06:57:52    64.786244  +3.91  -14.47c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 983 06:59:47    81.533645  +3.91  -15.00c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 984 07:01:07   363.852724  +4.54  -15.34c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 985 07:02:58    19.145532  +3.50  -14.85c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 07:04:48   170.231088  +4.23  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 07:06:01     2.880434  +3.33  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 988 07:08:11   435.388081  +4.60  -14.86c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 07:09:16    45.848693  +3.72  -15.09c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 990 07:10:31    92.892942  +3.94  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 991 07:12:59    65.939985  +3.88  -14.79c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 07:14:42   130.236886  +4.20  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 07:16:21   126.908792  +4.14  -15.38c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 994 07:17:23   152.374352  +4.05  -15.22c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 995 07:19:09  1190.184902  +4.88  -15.12c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 996 07:21:01   242.662940  +4.36  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 997 07:22:47    58.834426  +3.93  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 07:24:34   484.215067  +4.53  -15.08c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 07:26:59  1222.102191  +4.86  -15.08c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 07:34:32    -1.057700  +2.98  -1.89    -1.9986          40
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


