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

User:   aes38@compute-7
Date:   Sun Oct 22 04:03:40 2023
Arch:   x86_64
Pid:    3857612
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/mixed.gpw
Read dipole, energy, free_energy, magmom, magmoms
Reading input parameters:
  basis: aug-cc-pVDZ_PBE.sz
  convergence: {bands: occupied,
                density: 0.0001,
                eigenstates: 1e-06,
                energy: 0.0005}
  eigensolver: {blocksize: 1,
                converge_unocc: False,
                excited_state: True,
                functional: {'name': 'ks'},
                grad_tol_inner_loop: 0.0005,
                grad_tol_pz_localization: 0.0005,
                linesearch_algo: {'name': 'max-step', 'max_step': 0.2},
                localization_tol: None,
                localizationseed: None,
                localizationtype: None,
                max_step_inner_loop: 0.2,
                maxiter_inner_loop: 100,
                maxiter_pz_localization: 50,
                maxiter_unocc: 333,
                momevery: 10,
                name: etdm-fdpw,
                need_init_orbs: False,
                need_localization: False,
                printinnerloop: 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: 1e-06 eV^2 / valence electron
 Maximum number of scf [iter]ations: 1000
 (Square brackets indicate name in SCF output, whereas a 'c' in
 the SCF output indicates the quantity has converged.)

Symmetries present (total): 1

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

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

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

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

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

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

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

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

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 188.38 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: 237.66 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: 237.66 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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 |            |                                                |  
 |            .------------------------------------------------.  
 |           /                                                /   
 |          /                                                /    
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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 04:12:25     7.710099  +2.82  -14.83c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter:   2 04:17:08     5.853221  +2.79  -15.22c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:   3 04:18:21    -6.435085  +2.49  -15.18c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:   4 04:20:12   -11.633859  +2.37  -15.31c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:   5 04:21:58   -11.738286  +2.51  -15.03c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:   6 04:23:09   -16.667525  +2.44  -15.18c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:   7 04:24:13   -16.957535  +2.14  -15.25c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:   8 04:29:21    -1.642812  +2.74  -15.25c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:   9 04:30:35    -7.180867  +2.66  -15.29c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  10 04:32:23   -17.353194  +2.28  -15.39c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  11 04:34:13   -16.644672  +2.22  -15.38c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  12 04:35:20   -16.804604  +2.37  -15.17c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  13 04:36:23   -18.597777  +2.15  -14.95c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  14 04:40:42    -9.997375  +2.67  -15.34c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  15 04:42:22   -19.480570  +2.14  -15.31c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  16 04:43:26   -13.922070  +2.46  -15.25c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  17 04:44:35   -16.535562  +2.44  -15.58c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  18 04:45:40   -11.593789  +2.62  -15.45c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  19 04:46:48    -8.125554  +2.83  -15.37c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  20 04:48:26    -7.483004  +2.76  -15.33c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  21 04:49:32   -15.164074  +2.43  -15.21c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  22 04:50:46    -9.490156  +2.70  -15.25c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  23 04:53:05    -5.437131  +2.88  -15.30c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  24 04:54:53     0.577823  +2.96  -15.17c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  25 04:56:40   -14.976753  +2.40  -15.08c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  26 04:58:19   -10.853968  +2.67  -15.11c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  27 05:03:05   -14.357045  +2.47  -14.60c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  28 05:04:10    -8.824178  +2.69  -15.30c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  29 05:05:12     4.801499  +3.04  -15.32c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  30 05:06:15    -5.080952  +2.85  -15.53c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  31 05:07:54    39.455767  +3.38  -15.35c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  32 05:09:27    20.076984  +3.26  -15.39c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  33 05:10:27    62.540655  +3.51  -15.12c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  34 05:11:38   127.108684  +3.72  -14.63c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  35 05:12:34    -2.933773  +2.93  -15.33c   +0.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter:  36 05:14:00    56.323619  +3.47  -14.67c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  37 05:15:02    76.019120  +3.54  -15.36c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  38 05:16:05    49.400373  +3.45  -15.29c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  39 05:17:42    10.635133  +3.15  -15.64c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  40 05:18:58    50.384988  +3.46  -14.79c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  41 05:20:38    -7.426807  +2.75  -15.30c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  42 05:22:17    20.764810  +3.30  -15.41c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  43 05:25:20    22.342856  +3.26  -14.73c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  44 05:26:32    20.233563  +3.24  -15.16c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  45 05:28:38     5.483448  +3.07  -14.75c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  46 05:30:37     0.888968  +3.08  -14.86c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  47 05:32:10     2.511011  +3.16  -15.46c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  48 05:33:08    -0.932093  +3.17  -15.50c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  49 05:35:41    -4.839595  +3.04  -14.68c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  50 05:37:51    18.933183  +3.31  -15.09c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  51 05:38:48    -5.088196  +2.90  -15.31c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  52 05:39:51    -2.043533  +3.00  -15.34c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  53 05:40:55    -1.372773  +3.05  -15.09c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  54 05:41:57    -7.510643  +2.93  -14.92c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  55 05:42:59     7.008926  +3.25  -15.29c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  56 05:44:04     3.083861  +3.26  -15.01c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  57 05:45:26     5.353751  +3.26  -14.68c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  58 05:46:53     8.395282  +3.27  -14.72c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  59 05:47:55     1.387207  +3.29  -15.35c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  60 05:48:57    29.974237  +3.84  -15.32c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  61 05:50:03    50.714614  +4.09  -15.12c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  62 05:51:14   123.825944  +4.40  -15.00c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  63 05:52:18   161.860281  +4.52  -15.46c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  64 05:53:24   291.545227  +4.73  -15.21c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  65 06:04:39   149.126412  +3.93  -1.81    -0.0082         103
MOM has detected variational collapse, occupied orbitals have changed
iter:  66 06:07:49   167.642978  +4.39  -14.84c   -0.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter:  67 06:10:18    59.514224  +3.91  -14.85c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter:  68 06:13:55    68.419616  +3.95  -15.24c   -0.0000          50
MOM has detected variational collapse, occupied orbitals have changed
iter:  69 06:15:53    41.694930  +3.82  -15.00c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  70 06:17:44    40.899201  +3.53  -15.26c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  71 06:18:52     2.447065  +3.33  -15.39c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  72 06:19:59    19.054411  +3.73  -15.24c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  73 06:21:26     5.289298  +3.42  -14.69c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  74 06:24:18     3.165231  +3.27  -15.55c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  75 06:25:22     5.683954  +3.43  -15.45c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  76 06:26:25    27.663024  +3.80  -15.35c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  77 06:27:25    64.934036  +4.18  -15.37c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  78 06:28:27    62.567424  +4.11  -15.11c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  79 06:29:32    -9.939829  +3.14  -15.28c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  80 06:30:41    22.994410  +3.82  -15.33c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  81 06:31:41   122.798456  +4.39  -14.93c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  82 06:33:09    77.203880  +4.01  -14.73c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  83 06:35:00    80.721013  +3.90  -14.80c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  84 06:36:02    23.950498  +3.80  -15.19c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  85 06:37:04    23.612576  +3.77  -15.38c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  86 06:38:13    99.887940  +4.26  -15.14c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  87 06:39:45   100.910272  +4.27  -14.85c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  88 06:41:58    43.619905  +4.08  -15.68c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  89 06:42:58    53.135368  +4.05  -15.02c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  90 06:44:04    46.143593  +3.99  -15.04c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  91 06:45:42    18.485504  +3.62  -15.05c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  92 06:46:45    32.921204  +3.86  -14.90c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  93 06:48:31   157.669027  +4.34  -15.30c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  94 06:50:06    72.809621  +3.75  -15.36c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  95 06:51:13    80.251998  +4.20  -15.24c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  96 06:53:18    47.354847  +3.89  -14.82c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  97 06:54:23    52.183518  +4.07  -15.38c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  98 06:57:08    58.236673  +4.10  -15.28c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  99 06:58:37    89.965403  +4.14  -14.50c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 100 06:59:41    78.791650  +4.20  -15.32c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 101 07:01:06    31.386745  +3.68  -14.89c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 102 07:03:27    16.163937  +3.80  -15.41c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 103 07:05:05    82.580574  +4.20  -15.43c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 104 07:06:51   208.957895  +4.49  -15.38c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 105 07:08:19   126.116647  +4.42  -14.77c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 106 07:09:24   133.127810  +4.43  -15.26c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 107 07:10:30    44.710113  +3.90  -15.19c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 108 07:11:41    72.047919  +4.00  -15.31c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 109 07:13:23   211.338687  +4.63  -15.33c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 110 07:15:18    86.757771  +4.26  -14.76c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 111 07:16:24   169.454532  +4.23  -15.55c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 07:17:42   173.249469  +4.31  -14.89c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 113 07:20:15   184.771062  +4.53  -15.17c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 114 07:22:28   417.179457  +4.87  -14.68c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 07:24:07    45.827145  +4.02  -14.59c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 07:25:51    88.524143  +4.08  -15.20c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 117 07:27:18    52.468625  +3.92  -15.07c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 118 07:28:31   396.970377  +4.84  -15.34c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 07:29:37   146.823374  +4.41  -15.39c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 07:30:48   546.672244  +4.94  -15.30c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 121 07:31:59   169.588923  +4.45  -15.20c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 122 07:33:10    68.866772  +4.13  -15.34c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 07:34:30    67.541931  +4.14  -15.59c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 124 07:37:07    52.658621  +3.93  -15.35c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 07:38:51   235.630008  +4.59  -14.82c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 07:40:07    29.318255  +3.72  -15.22c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 07:42:28   272.076462  +4.64  -15.18c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 128 07:43:33   175.409841  +4.41  -15.53c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 129 07:44:40   126.005707  +4.10  -15.36c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 130 07:45:49   100.606577  +4.33  -14.98c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 131 07:46:51   113.328412  +4.40  -15.09c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 132 07:47:51    63.720962  +4.11  -15.51c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 133 07:50:01   267.430022  +4.67  -15.28c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 134 07:51:03    73.165795  +4.18  -14.93c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 135 07:52:47   153.703690  +4.11  -15.14c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 136 07:55:02   203.791736  +4.57  -15.34c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 137 07:56:24    83.020517  +4.08  -14.68c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 138 07:57:31   103.667103  +4.11  -15.38c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 139 07:58:35   168.584118  +4.39  -15.44c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 140 07:59:41   290.722646  +4.71  -15.47c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 141 08:02:33   289.978063  +4.69  -15.46c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 142 08:03:42    93.997671  +4.14  -15.43c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 143 08:04:51   352.638058  +4.71  -15.34c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 144 08:08:36   201.708427  +4.46  -15.36c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 145 08:10:38   372.071813  +4.74  -14.55c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 146 08:12:27   297.572563  +4.61  -14.73c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 147 08:14:13    52.855770  +3.94  -15.41c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 148 08:15:57   311.847267  +4.73  -15.31c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 149 08:18:22    50.206148  +3.86  -15.11c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 150 08:19:31    79.174753  +4.06  -15.17c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 151 08:21:07    40.656378  +3.89  -14.69c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 152 08:22:39   183.709516  +4.46  -14.56c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 153 08:23:54    91.043638  +4.17  -14.92c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 154 08:24:59   146.396499  +4.44  -15.35c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 155 08:27:02   206.908743  +4.53  -14.94c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 156 08:28:46   267.353047  +4.62  -15.45c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 157 08:31:03   195.997209  +4.53  -15.27c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 158 08:34:00    92.474833  +3.82  -15.28c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 159 08:35:09    54.100292  +3.77  -15.24c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 160 08:36:15   216.803895  +4.57  -15.15c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 161 08:37:39   336.666845  +4.77  -14.66c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 162 08:38:39   384.413074  +4.77  -15.31c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 163 08:39:44    85.374912  +4.13  -15.36c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 164 08:41:06   197.738779  +4.46  -14.66c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 165 08:42:08   148.805605  +4.29  -15.09c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 166 08:43:34   229.301426  +4.58  -15.17c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 167 08:44:52    97.149222  +4.12  -14.81c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 08:46:03    46.996484  +3.90  -15.52c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 169 08:47:08   167.694696  +4.47  -15.10c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 170 08:48:56    48.997180  +3.93  -15.29c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 171 08:50:33   136.954069  +4.44  -14.78c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 172 08:53:51    41.046637  +3.78  -14.81c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 173 08:55:42   180.466751  +4.50  -14.80c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 174 08:56:48   129.818597  +4.36  -15.15c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 175 08:58:02   113.734762  +4.32  -15.31c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 176 08:59:37   281.016121  +4.72  -14.92c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 177 09:01:52   198.886192  +4.54  -15.19c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 178 09:03:36    28.539249  +3.82  -15.21c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 179 09:05:16   226.907068  +4.56  -15.44c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 180 09:08:18    50.767733  +3.91  -15.28c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 181 09:09:27    44.637287  +3.94  -15.21c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 182 09:11:41   130.984308  +4.44  -15.30c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 183 09:12:50    42.012936  +4.06  -15.31c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 184 09:14:32   245.702736  +4.49  -15.48c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 185 09:16:00   202.207931  +4.60  -14.88c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 186 09:17:00   384.839684  +4.69  -15.07c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 187 09:18:37    30.281742  +3.80  -15.26c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 188 09:20:19   114.814341  +4.28  -15.07c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 189 09:21:30    59.364288  +4.17  -15.30c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 190 09:22:37   108.194064  +4.34  -15.31c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 191 09:24:13   406.059163  +4.79  -15.41c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 192 09:25:14   122.511552  +4.40  -15.48c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 193 09:26:49   137.568002  +4.37  -15.18c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 194 09:28:31   109.485254  +4.33  -15.26c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 195 09:29:35    71.428001  +4.22  -15.56c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 196 09:32:31    12.303323  +3.26  -15.41c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 197 09:35:43    98.570297  +4.15  -15.08c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 198 09:37:29    24.538462  +3.61  -14.74c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 199 09:39:17    74.427295  +4.01  -15.26c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 200 09:40:24     4.066231  +3.56  -15.26c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 201 09:41:30    94.925999  +4.25  -15.18c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 202 09:43:10    34.541558  +3.79  -15.14c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 203 09:44:12   197.987765  +4.57  -15.32c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 204 09:45:16    90.097569  +4.05  -15.23c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 205 09:46:58   104.746333  +4.20  -15.22c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 206 09:48:02   143.406742  +4.29  -15.27c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 207 09:49:26    44.801027  +4.05  -15.04c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 208 09:50:28    97.044513  +4.03  -15.40c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 209 09:51:33   158.233891  +4.26  -15.15c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 210 09:52:39    70.319244  +3.95  -14.99c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 211 09:54:20   283.913238  +4.51  -15.30c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 212 09:55:34    14.165985  +3.57  -15.27c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 213 09:57:48    81.791578  +4.09  -15.02c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 214 09:58:55   161.494525  +4.28  -15.52c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 215 09:59:55    28.368960  +3.84  -15.41c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 216 10:01:00    84.066598  +4.21  -15.33c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 217 10:02:41    26.314676  +3.82  -15.39c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 218 10:04:16    76.682784  +4.15  -15.41c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 219 10:05:14    65.402315  +4.12  -15.48c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 220 10:06:21    38.074389  +3.94  -15.05c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 221 10:08:33   137.282320  +4.44  -14.99c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 222 10:10:10   198.700130  +4.54  -15.18c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 223 10:11:12    78.037272  +4.05  -15.32c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 224 10:12:16    19.811198  +3.82  -15.33c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 225 10:13:19   158.360155  +4.48  -15.44c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 226 10:14:21   222.541909  +4.33  -15.38c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 227 10:15:25   133.398168  +4.42  -15.52c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 228 10:16:27   117.924895  +4.23  -15.18c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 229 10:18:37    12.570560  +3.73  -15.42c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 230 10:20:12    59.915425  +4.17  -15.26c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 231 10:23:01    -1.904814  +3.38  -15.29c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 232 10:24:05   118.227875  +4.21  -15.25c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 233 10:25:09    98.191839  +4.33  -15.09c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 234 10:26:48   242.371658  +4.64  -15.35c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 235 10:31:19   120.411347  +4.32  -14.80c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 236 10:32:52    73.720501  +4.06  -15.52c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 237 10:35:32   157.927650  +4.43  -14.64c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 238 10:37:42    74.499157  +4.03  -15.01c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 239 10:39:55    56.149875  +3.88  -14.98c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 240 10:41:46    50.093743  +3.93  -14.83c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 241 10:45:01    88.471485  +3.99  -14.63c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 242 10:47:11    13.217342  +3.25  -14.73c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 243 10:49:44    46.965683  +3.71  -14.73c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 244 10:52:41    80.622022  +4.03  -14.64c   -0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 245 10:54:34    80.497828  +4.00  -14.69c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 246 10:55:48    55.566052  +3.86  -15.36c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 247 10:57:49    54.166805  +3.95  -14.40c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 248 10:59:55    42.325762  +3.90  -15.15c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 249 11:02:48    33.187792  +3.62  -14.72c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 250 11:05:39    48.756912  +3.92  -14.93c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 251 11:07:36    51.889512  +3.97  -14.90c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 11:09:09    43.912232  +3.93  -14.64c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 253 11:10:25    41.789912  +4.00  -15.42c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 254 11:11:58    19.912496  +3.65  -14.72c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 11:13:53    43.107659  +3.81  -15.05c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 256 11:15:13    82.856781  +4.09  -15.20c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 257 11:21:31    89.436216  +4.14  -15.36c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 258 11:23:32    20.013448  +3.60  -14.76c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 11:25:52    85.184819  +4.02  -14.91c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 260 11:27:14    67.079771  +4.06  -15.44c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 261 11:28:52    94.162915  +4.03  -15.03c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 11:30:03    78.834527  +4.07  -15.41c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 263 11:31:12    24.355683  +3.69  -15.45c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 264 11:32:16    45.651149  +3.84  -15.50c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 265 11:34:35    33.743720  +3.90  -15.13c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 266 11:37:03    23.683644  +3.72  -14.66c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 267 11:38:51     6.568446  +3.58  -14.72c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 268 11:40:18    46.605037  +4.00  -14.88c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 269 11:41:25    37.841959  +3.72  -15.20c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 270 11:43:15    87.276762  +4.06  -15.16c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 271 11:44:46    42.623108  +4.04  -14.83c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 272 11:46:12    65.728770  +4.05  -14.58c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 273 11:47:41   117.914893  +4.12  -14.70c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 274 11:49:10   182.389758  +4.29  -14.51c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 275 11:50:30    67.586046  +4.01  -15.34c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 276 11:51:57    99.595197  +4.22  -14.70c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 277 11:53:06    27.061137  +3.64  -15.37c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 278 11:54:10    48.349488  +3.72  -15.48c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 279 11:55:50    46.987811  +3.93  -15.30c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 280 11:57:40    50.560191  +4.07  -15.18c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 281 11:59:18    72.628015  +4.18  -14.83c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 282 12:01:00    79.606284  +4.10  -15.13c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 283 12:02:44   140.323185  +4.39  -14.92c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 12:04:52    60.578335  +4.02  -15.21c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 12:07:45   109.122957  +4.27  -14.62c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 12:10:31   153.246525  +4.37  -14.68c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 287 12:12:44    75.156267  +4.18  -14.76c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 12:14:37    68.435486  +3.96  -14.54c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 289 12:15:53    24.030255  +3.39  -15.30c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 290 12:18:00    59.126769  +3.91  -15.07c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 291 12:19:55    84.011052  +4.02  -14.92c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 292 12:21:46   105.204563  +4.13  -14.78c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 293 12:23:10    59.041883  +4.00  -15.24c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 294 12:24:36   127.592745  +4.32  -15.20c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 12:26:49    25.958515  +3.83  -14.61c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 12:28:38   136.726802  +4.36  -14.62c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 297 12:29:53   132.317336  +4.39  -15.23c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 12:30:57    53.833978  +3.82  -14.93c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 12:32:54   110.916426  +4.19  -15.28c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 12:34:27   153.466505  +4.34  -14.87c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 12:36:09    21.422461  +3.72  -14.45c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 12:38:27    99.841973  +3.90  -15.36c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 303 12:40:25   371.664403  +4.76  -14.72c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 12:43:12   215.086889  +4.56  -14.47c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 12:44:32    71.802567  +4.09  -15.48c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 12:46:52    58.633950  +4.01  -14.65c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 307 12:48:31    27.440132  +3.81  -14.72c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 308 12:51:32   109.713185  +4.00  -15.37c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 309 12:53:44   141.375269  +4.18  -14.74c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 310 12:55:29   241.284153  +4.46  -14.67c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 311 12:56:44   144.206344  +4.28  -15.19c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 12:57:50   176.685793  +4.35  -15.07c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 313 13:01:02    73.091066  +4.14  -14.99c   -0.0000          38
MOM has detected variational collapse, occupied orbitals have changed
iter: 314 13:02:54    58.055960  +4.01  -15.32c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 315 13:04:37    76.101682  +3.79  -14.67c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 316 13:05:49    93.708972  +4.10  -15.11c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 13:07:12   133.167673  +4.17  -15.22c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 318 13:08:54    11.283843  +3.50  -15.01c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 319 13:10:03    53.299214  +4.00  -14.87c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 320 13:11:14   248.116029  +4.40  -15.28c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 321 13:12:42   402.006866  +4.61  -14.69c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 322 13:14:06   272.012036  +4.50  -14.74c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 323 13:15:19    63.476870  +3.94  -15.21c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 324 13:16:45   270.800141  +4.40  -14.78c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 325 13:17:51   366.143028  +4.66  -14.93c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 326 13:20:47    89.570274  +4.04  -15.33c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 327 13:23:18   212.140126  +4.36  -15.39c   -0.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 328 13:26:09   187.399933  +4.45  -14.91c   -0.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 329 13:28:13   132.573401  +4.10  -14.67c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 330 13:30:19   539.849012  +4.78  -14.73c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 331 13:32:14   178.904931  +4.46  -14.77c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 13:34:09   195.718390  +4.43  -14.64c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 333 13:36:35    35.213570  +3.77  -14.97c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 334 13:39:05    87.914481  +4.16  -14.89c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 335 13:40:49   110.593877  +4.17  -14.83c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 13:43:06    34.605000  +3.82  -14.50c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 337 13:44:10    23.468801  +3.67  -15.07c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 338 13:45:31   255.428762  +4.50  -15.28c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 13:47:06    69.924439  +4.08  -14.78c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 340 13:48:27    53.237643  +3.98  -15.38c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 341 13:50:14    25.044217  +3.71  -14.54c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 342 13:52:33    50.844134  +3.93  -15.44c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 343 13:53:58    48.356249  +3.90  -15.34c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 344 13:56:24   283.963616  +4.55  -15.07c   +0.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 345 13:58:19    36.537520  +3.80  -14.77c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 346 14:00:58    89.148791  +4.14  -15.22c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 347 14:03:00    22.462791  +3.68  -14.85c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 14:04:24    57.915510  +3.93  -15.25c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 349 14:06:53    53.117897  +3.74  -14.64c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 14:08:52    13.090295  +3.52  -14.63c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 14:10:26    98.453763  +4.33  -14.66c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 14:12:20    86.541804  +4.24  -15.26c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 353 14:14:39    28.294606  +3.79  -15.27c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 14:16:45   127.628916  +4.23  -15.38c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 355 14:18:36    77.817998  +4.17  -14.93c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 356 14:20:14    20.852755  +3.72  -14.67c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 357 14:21:35   108.122773  +4.39  -15.22c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 14:23:28    71.232880  +4.21  -14.57c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 14:25:43    33.284088  +3.85  -14.84c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 14:27:29    90.595634  +4.21  -15.23c   +0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 361 14:31:00    87.277264  +4.06  -14.66c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 14:32:25   112.646007  +4.06  -15.22c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 363 14:35:26   298.505669  +4.58  -14.69c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 364 14:36:59   416.854892  +4.66  -15.39c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 365 14:39:23    51.976045  +3.80  -14.75c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 366 14:42:43   121.483444  +4.15  -14.34c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 367 14:44:33    43.118105  +3.90  -15.28c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 368 14:46:41    61.772252  +4.01  -14.81c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 369 14:48:21    69.843299  +4.09  -14.72c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 370 14:49:49   108.162812  +4.24  -14.68c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 371 14:51:38    24.341197  +3.59  -15.40c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 372 14:55:10   488.587395  +4.70  -14.66c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 14:56:40   200.109012  +4.35  -15.28c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 374 14:59:54    56.504861  +4.04  -15.12c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 375 15:01:20   141.481158  +4.26  -14.36c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 15:04:29   156.619835  +4.21  -14.62c   -0.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 377 15:06:50   133.659890  +4.17  -14.84c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 15:09:11    84.376857  +4.12  -14.98c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 15:10:52    70.006529  +3.81  -14.72c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 380 15:12:05   134.041295  +4.29  -15.43c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 15:13:51   138.448934  +4.33  -15.00c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 382 15:15:31   133.893287  +4.24  -14.76c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 383 15:17:17    62.823970  +4.06  -15.47c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 384 15:19:18   181.645839  +4.33  -15.35c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 15:21:04    95.838201  +4.26  -15.39c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 386 15:22:19   144.382183  +4.50  -15.14c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 15:23:43    94.533707  +4.24  -15.07c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 388 15:25:49    74.276882  +4.16  -15.14c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 389 15:27:24   105.859279  +4.32  -15.02c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 15:28:55    85.766068  +4.12  -14.89c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 391 15:29:59    30.477206  +3.92  -15.10c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 392 15:31:08   119.858034  +4.42  -15.34c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 393 15:32:20   402.670719  +4.70  -15.37c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 394 15:33:38   183.285401  +4.57  -14.78c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 15:35:04     0.447104  +3.44  -14.93c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 396 15:37:38    76.142635  +4.15  -15.24c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 397 15:39:40   196.520919  +4.52  -14.91c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 398 15:41:48   224.169396  +4.63  -14.92c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 15:43:47   132.063819  +4.40  -15.36c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 400 15:44:59    93.560495  +4.23  -15.44c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 401 15:47:04   253.030563  +4.52  -15.28c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 15:49:34    39.896779  +4.00  -15.18c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 15:50:43    91.765867  +4.17  -15.31c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 15:55:22   207.500825  +4.48  -15.49c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 15:57:13    83.245548  +4.12  -14.62c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 15:58:26   180.551824  +4.31  -15.04c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 15:59:59    79.559343  +4.14  -14.72c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 16:07:46    -2.079601  +3.04  -1.94    -0.0040          38
MOM has detected variational collapse, occupied orbitals have changed
iter: 409 16:09:43   225.194963  +4.46  -14.46c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 410 16:11:19   170.190508  +4.37  -14.91c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 411 16:12:23    42.252901  +3.87  -15.50c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 412 16:14:57    59.901701  +3.99  -14.89c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 413 16:16:10   188.352655  +4.43  -15.35c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 16:17:41    84.103772  +4.10  -14.96c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 415 16:20:10   123.562700  +4.24  -14.97c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 416 16:21:37    55.824719  +3.96  -14.87c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 16:22:52   145.837285  +4.11  -14.70c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 418 16:23:54   541.798807  +4.75  -15.18c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 419 16:25:12    63.640986  +4.10  -14.69c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 16:26:46   177.420299  +4.42  -15.15c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 16:27:46    86.387019  +4.23  -15.06c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 16:29:21   273.620824  +4.24  -15.31c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 423 16:30:42   205.588562  +4.18  -14.88c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 16:31:41   202.634202  +4.48  -15.33c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 425 16:32:56   134.732597  +4.26  -14.76c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 16:35:09    23.818705  +3.83  -15.13c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 16:36:11   154.566633  +4.32  -15.02c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 428 16:37:16    11.737548  +3.44  -15.25c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 16:38:35   235.632519  +4.39  -14.72c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 16:40:00   195.156437  +4.30  -14.80c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 16:40:55   607.188366  +4.82  -15.10c   +0.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 432 16:42:17   757.952786  +4.88  -14.63c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 16:43:39    86.841911  +4.07  -14.83c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 434 16:44:47   111.141185  +4.12  -15.27c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 16:46:21    77.278089  +4.01  -15.42c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 16:47:23   122.481769  +4.21  -15.49c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 16:48:29     9.382568  +3.61  -15.40c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 438 16:49:31    53.080245  +3.94  -15.38c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 439 16:51:05   223.477847  +4.33  -15.11c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 16:52:45    56.784308  +4.07  -15.05c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 441 16:53:42   194.570546  +4.28  -15.17c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 442 16:55:17   114.935287  +4.20  -15.45c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 443 16:57:12    61.163967  +4.01  -14.70c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 16:58:18    49.380070  +4.01  -15.35c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 17:00:00   156.099830  +4.15  -15.10c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 446 17:01:02   110.310792  +4.15  -15.04c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 447 17:02:08   130.028080  +4.20  -15.42c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 448 17:04:15    42.979351  +4.07  -15.17c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 449 17:05:17   187.116073  +4.43  -15.23c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 17:06:24    25.567419  +3.69  -15.30c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 17:07:30   546.020454  +4.73  -15.49c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 17:09:27    43.461998  +3.96  -14.86c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 453 17:10:31    35.386803  +3.90  -15.30c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 17:11:40    69.431597  +4.12  -15.40c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 455 17:12:44     2.938203  +3.41  -15.08c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 456 17:13:50    61.367018  +4.13  -15.32c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 457 17:14:54   104.390709  +4.07  -15.33c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 458 17:15:56    81.625213  +4.14  -15.08c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 459 17:18:53   133.185428  +4.18  -15.42c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 460 17:20:26   216.400006  +4.38  -14.57c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 17:22:08   211.345050  +4.25  -15.55c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 17:23:21   188.616260  +4.34  -15.32c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 463 17:25:05   268.312558  +4.47  -15.46c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 464 17:26:34   369.474472  +4.54  -14.76c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 17:27:38   242.214452  +4.35  -15.39c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 466 17:30:03    93.749930  +4.01  -15.15c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 17:31:05   124.561881  +4.20  -15.50c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 17:32:29   153.045235  +4.33  -14.96c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 17:33:38   181.777409  +4.35  -15.06c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 470 17:34:45    78.540436  +3.93  -15.20c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 471 17:35:58    30.861833  +3.74  -14.80c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 17:37:04    69.448426  +3.89  -14.98c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 17:38:39   357.406201  +4.54  -15.28c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 17:39:41    47.897770  +3.87  -15.17c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 17:40:46    72.435534  +4.01  -15.18c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 17:41:46   247.508991  +4.44  -15.03c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 477 17:48:01   130.852471  +4.09  -14.98c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 17:50:16   494.171119  +4.65  -14.87c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 17:52:33    73.945925  +3.82  -14.67c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 17:53:42   716.265566  +4.75  -15.31c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 481 17:55:50    20.087621  +3.46  -14.69c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 482 17:59:12    88.544453  +3.99  -14.70c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 483 18:01:43   104.938702  +4.11  -14.78c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 484 18:03:22   201.321775  +4.28  -14.86c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 18:04:26    12.476547  +3.57  -15.15c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 486 18:10:37   618.908328  +4.73  -15.38c   -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 487 18:11:55    51.549839  +3.87  -15.14c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 488 18:14:51   280.554421  +4.42  -15.05c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 489 18:16:27   406.777132  +4.56  -14.99c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 18:19:47   424.619225  +4.63  -14.81c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 491 18:20:52    98.749572  +4.01  -15.38c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 18:22:12    80.050681  +3.85  -14.94c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 493 18:23:16    79.915748  +3.82  -15.27c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 494 18:24:18    53.754255  +3.85  -15.18c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 495 18:26:46   167.996397  +4.28  -15.43c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 496 18:28:08   319.726293  +4.36  -15.37c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 18:29:19    18.323396  +3.56  -15.03c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 18:32:46     1.790535  +3.23  -15.12c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 18:33:59    -1.795207  +3.25  -15.20c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 500 18:37:26   210.655448  +4.30  -14.80c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 18:39:38   101.917633  +4.06  -15.24c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 18:40:43   305.601109  +4.46  -15.39c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 18:41:45     7.495002  +3.38  -15.26c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 504 18:43:22   414.768021  +4.56  -15.26c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 505 18:44:26   189.219274  +4.20  -15.20c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 506 18:45:33    36.759305  +3.76  -15.32c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 507 18:47:40   226.488462  +4.35  -15.60c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 18:48:42   100.125794  +4.05  -15.37c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 509 18:50:54   252.360155  +4.35  -15.52c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 510 18:53:39    24.315405  +3.46  -15.45c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 511 18:55:17   242.807387  +4.34  -15.22c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 512 18:56:36    33.606621  +3.70  -14.52c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 513 18:57:36    42.501932  +3.65  -15.31c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 18:58:40    34.469814  +3.58  -15.48c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 515 19:00:52   151.319184  +4.24  -15.42c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 19:02:00   149.587827  +4.22  -15.22c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 517 19:02:58    86.226722  +3.90  -15.57c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 19:03:57    47.439336  +3.69  -15.16c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 19:05:35    49.147139  +3.83  -15.32c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 520 19:07:42    82.820740  +4.05  -15.17c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 521 19:09:17   320.187528  +4.49  -15.15c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 522 19:10:19   204.321194  +4.37  -15.38c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 523 19:11:23   219.350422  +4.32  -15.32c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 524 19:13:00   566.688867  +4.66  -15.20c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 525 19:14:15   395.427193  +4.53  -14.96c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 526 19:15:18   465.245607  +4.58  -15.41c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 19:16:22   178.797119  +4.28  -15.35c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 19:19:12    78.917118  +3.88  -15.17c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 19:21:16    78.412832  +4.00  -14.73c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 19:22:20   286.203939  +4.39  -15.42c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 19:23:22   142.710541  +4.07  -15.22c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 19:24:49   225.313631  +4.29  -14.89c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 19:25:56   898.805856  +4.80  -15.50c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 534 19:27:13   267.309452  +4.31  -14.85c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 535 19:28:13    59.521595  +3.79  -15.18c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 536 19:33:51   272.567563  +4.33  -14.78c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 537 19:35:42    33.386491  +3.73  -14.65c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 538 19:38:05   184.014368  +4.11  -15.24c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 19:39:27    75.131301  +3.74  -14.52c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 540 19:42:14    71.219715  +3.92  -15.31c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 541 19:43:21   940.607830  +4.81  -15.16c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 542 19:44:47   284.521134  +4.41  -14.48c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 543 19:45:51   437.802926  +4.57  -15.23c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 544 19:46:53    95.705531  +3.97  -15.34c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 545 19:47:58   293.303982  +4.38  -15.29c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 546 19:49:41   107.146536  +4.04  -15.47c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 547 19:51:24    40.745644  +3.81  -15.12c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 548 19:52:42    48.055644  +3.73  -14.60c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 549 19:53:42    21.350348  +3.68  -15.06c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 19:55:54    35.871477  +3.63  -14.91c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 551 19:57:01    30.690579  +3.54  -15.31c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 552 19:58:36   238.155737  +4.31  -15.19c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 553 19:59:40   337.494136  +4.46  -15.21c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 20:03:57   188.731368  +4.19  -14.92c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 555 20:06:14    38.173862  +3.76  -15.25c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 20:07:40   146.006406  +4.09  -14.76c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 20:08:49   128.109408  +4.01  -14.56c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 20:09:48   369.126885  +4.45  -15.46c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 559 20:10:50   143.269508  +4.16  -15.05c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 560 20:11:52    48.972704  +3.70  -15.38c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 20:14:31   498.837402  +4.55  -15.43c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 562 20:16:08    93.944591  +3.89  -15.36c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 20:17:13   386.182930  +4.54  -15.11c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 20:18:34   180.304420  +4.18  -14.77c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 565 20:19:54    78.117436  +3.93  -14.71c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 566 20:20:56     7.422419  +3.33  -15.12c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 20:21:54   157.335094  +4.15  -15.49c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 568 20:22:56   122.560112  +4.05  -15.21c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 20:23:51    22.258907  +3.67  -15.28c   -0.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 570 20:29:53    67.662141  +3.89  -14.77c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 20:31:04   166.174998  +4.16  -15.45c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 20:32:31    61.093401  +3.81  -15.28c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 20:33:44    41.085163  +3.71  -15.15c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 20:35:02   159.875047  +4.11  -14.68c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 575 20:36:44    12.812054  +3.42  -15.45c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 576 20:38:27   397.837311  +4.50  -15.30c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 577 20:44:03    95.820221  +3.88  -15.31c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 20:45:56    64.970236  +3.86  -14.42c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 579 20:47:14    76.403991  +3.89  -15.26c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 580 20:48:55    14.713202  +3.54  -15.19c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 581 20:53:27    57.599471  +3.81  -15.25c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 582 20:54:47    56.299171  +3.62  -14.83c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 20:55:47    35.733430  +3.56  -15.32c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 584 20:57:14    64.127151  +3.75  -14.91c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 20:58:50    85.708009  +3.99  -15.18c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 20:59:52   106.928221  +4.01  -15.29c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 21:01:17   638.284518  +4.68  -14.49c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 21:02:21    33.509240  +3.73  -14.94c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 21:03:21   128.873581  +3.87  -15.36c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 21:04:25   133.067361  +3.99  -15.08c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 591 21:05:32   754.104820  +4.78  -15.17c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 592 21:06:34   128.832051  +4.13  -15.03c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 21:07:38    38.765186  +3.62  -15.26c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 594 21:08:38   191.213124  +4.26  -15.29c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 595 21:10:05    37.983190  +3.63  -14.81c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 596 21:11:05    76.102403  +3.87  -15.23c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 597 21:12:11    46.386592  +3.85  -15.51c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 598 21:14:21   209.010647  +4.33  -15.48c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 599 21:17:08    49.477802  +3.88  -15.60c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 600 21:18:12   163.184308  +4.20  -15.37c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 601 21:19:52    64.815058  +3.84  -15.49c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 602 21:20:56    13.889255  +3.55  -15.40c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 603 21:22:01    38.987080  +3.76  -15.19c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 604 21:23:02    66.782411  +3.94  -15.49c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 605 21:25:10   100.212376  +4.00  -15.24c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 606 21:26:52    61.300058  +3.68  -15.25c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 607 21:28:31   283.448869  +4.44  -15.43c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 608 21:30:02    20.109125  +3.55  -14.70c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 21:31:08   109.406202  +4.11  -15.25c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 610 21:33:15     3.367057  +3.32  -15.45c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 611 21:34:21   182.535070  +4.24  -15.57c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 21:35:21   119.933463  +3.92  -15.31c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 613 21:38:12    81.931634  +3.99  -15.42c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 614 21:39:19    28.212871  +3.63  -15.38c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 615 21:41:00    97.489266  +4.04  -15.29c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 616 21:42:07   142.589471  +4.15  -15.41c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 617 21:43:08   684.727434  +4.73  -15.05c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 618 21:44:11   151.052002  +4.20  -15.29c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 21:45:15   237.244928  +4.32  -15.21c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 620 21:46:15    23.775320  +3.69  -15.40c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 621 21:47:52    -0.145901  +3.24  -15.36c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 622 21:48:51   469.623361  +4.54  -15.19c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 21:49:55   105.778876  +4.11  -15.30c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 21:51:31   325.596109  +4.44  -15.36c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 625 21:52:48    63.830415  +3.92  -14.71c   +0.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 21:53:50    10.807441  +3.44  -15.36c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 21:55:01   242.489163  +4.37  -15.36c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 21:56:03   100.906167  +4.04  -15.29c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 629 21:57:01   495.071879  +4.60  -15.17c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 630 21:57:58   199.701165  +4.22  -15.24c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 631 21:59:15    23.006369  +3.41  -14.52c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 22:00:20   236.081817  +4.27  -15.27c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 633 22:01:19   140.287727  +4.08  -15.23c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 22:02:24   554.422577  +4.63  -15.33c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 635 22:04:00   154.082831  +4.21  -15.25c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 636 22:05:01   110.268850  +4.06  -15.43c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 637 22:06:05   472.113770  +4.56  -15.48c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 638 22:07:07   110.158591  +4.05  -15.37c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 639 22:08:06    60.611959  +3.78  -15.71c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 640 22:09:08    22.162247  +3.66  -15.44c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 22:10:15    50.324489  +3.86  -15.11c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 642 22:11:49    36.376666  +3.84  -15.48c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 643 22:13:24    26.648426  +3.74  -15.08c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 22:14:31    85.835944  +3.99  -15.27c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 645 22:15:38    27.094500  +3.71  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 646 22:16:42    72.374480  +4.09  -15.42c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 22:19:13   137.495417  +4.00  -14.77c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 648 22:20:35   169.066409  +4.10  -14.72c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 649 22:21:37   164.537647  +4.23  -15.26c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 650 22:22:37   276.881300  +4.32  -15.27c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 651 22:24:57   263.422337  +4.42  -15.31c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 22:26:03    54.701305  +3.68  -15.30c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 653 22:27:11    65.300807  +3.86  -14.93c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 22:28:48    71.337790  +4.02  -15.29c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 655 22:29:50    17.478775  +3.51  -15.26c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 22:31:29    27.586082  +3.78  -14.91c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 22:33:04    70.111818  +3.91  -15.34c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 22:34:05    85.383550  +3.99  -15.32c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 22:35:10    28.218944  +3.65  -15.37c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 22:36:18    46.868066  +3.87  -15.33c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 22:37:22    81.754524  +4.10  -15.39c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 662 22:38:24    57.709485  +3.84  -15.36c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 663 22:39:26    31.933656  +3.73  -15.29c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 664 22:40:24   108.168617  +4.13  -15.12c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 22:41:58   138.817907  +4.08  -15.10c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 666 22:43:02    18.722759  +3.60  -15.17c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 667 22:44:04    47.700150  +4.06  -15.24c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 668 22:45:06    74.214529  +4.05  -15.42c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 669 22:46:44    96.647130  +4.33  -15.25c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 22:47:44     2.851696  +3.37  -15.31c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 22:48:50    81.958677  +3.96  -15.39c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 672 22:50:10   110.375125  +4.05  -14.90c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 673 22:51:29    94.454401  +4.31  -14.68c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 674 22:52:31    68.455843  +4.23  -15.14c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 675 22:53:37   117.350091  +4.30  -15.30c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 676 22:54:36    36.710526  +3.80  -15.52c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 677 22:55:41   111.797951  +4.44  -15.30c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 678 22:56:42   110.221238  +4.37  -15.58c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 679 22:57:46   110.919040  +4.37  -15.12c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 680 22:59:47    29.852931  +3.68  -14.48c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 681 23:00:47   185.972069  +4.47  -15.46c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 23:01:55   155.265900  +4.43  -15.29c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 683 23:02:59   146.498494  +4.11  -15.35c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 684 23:04:01   172.462246  +4.20  -15.21c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 23:05:01   355.085898  +4.35  -15.21c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 686 23:06:53   269.277807  +4.37  -14.74c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 687 23:08:48    67.181377  +3.95  -15.10c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 688 23:09:59   209.628392  +4.40  -15.19c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 23:11:08    53.943390  +3.94  -15.29c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 690 23:13:07   204.132597  +4.34  -14.53c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 691 23:16:21   302.811461  +4.46  -15.38c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 692 23:17:43   475.431215  +4.65  -15.07c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 693 23:19:27   487.573796  +4.62  -14.81c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 694 23:21:04   101.327642  +4.04  -14.59c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 23:22:35   152.955555  +4.20  -14.82c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 23:24:13   141.957920  +4.15  -14.69c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 697 23:25:22   104.458581  +4.04  -15.27c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 698 23:26:24   102.183681  +4.08  -15.26c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 23:27:26   157.350776  +4.11  -15.16c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 700 23:28:35   221.916814  +4.28  -15.24c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 701 23:29:43   353.755198  +4.44  -15.22c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 702 23:31:08  1393.785950  +4.90  -14.85c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 23:32:37  1185.176841  +4.87  -14.68c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 704 23:33:41    48.633711  +3.75  -15.34c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 705 23:34:47    44.573457  +3.82  -15.33c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 706 23:35:47   115.526005  +4.07  -15.23c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 707 23:36:47    88.096214  +4.16  -15.32c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 708 23:37:47   148.596849  +4.22  -15.19c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 709 23:38:46    96.904847  +4.31  -15.03c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 23:40:58    41.353065  +3.71  -15.30c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 711 23:42:35    87.153830  +3.93  -15.47c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 23:43:41   115.750703  +4.12  -15.42c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 713 23:44:45   329.243464  +4.48  -15.47c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 23:45:50   315.972777  +4.42  -15.34c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 715 23:46:56    27.522892  +3.64  -15.42c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 716 23:47:55   155.597106  +4.30  -15.47c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 717 23:48:57    67.531258  +3.89  -15.27c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 718 23:49:59    16.654465  +3.58  -15.21c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 719 23:51:03   178.468705  +4.24  -15.07c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 23:52:05   125.303215  +4.04  -15.36c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 721 23:54:17   396.565892  +4.53  -15.31c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 722 23:55:19   363.558520  +4.50  -15.43c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 23:56:39   124.972318  +4.13  -14.87c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 724 23:58:24   171.786350  +4.34  -15.17c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 00:00:08    98.651362  +4.15  -15.29c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 726 00:01:54   181.022886  +4.19  -15.19c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 727 00:03:00   366.463356  +4.49  -15.40c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 728 00:04:37   146.423105  +4.14  -15.28c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 729 00:05:39    46.081747  +3.82  -15.03c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 730 00:07:47    98.989243  +4.06  -14.87c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 731 00:10:12    55.757608  +3.76  -15.26c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 732 00:12:39    91.292247  +3.95  -15.32c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 733 00:14:51   263.817555  +4.35  -14.69c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 734 00:16:39    32.047293  +3.73  -15.15c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 00:17:56   345.855038  +4.46  -15.12c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 00:19:14    81.732908  +4.04  -15.26c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 00:22:17   224.550727  +4.29  -14.85c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 738 00:24:23   194.898197  +4.23  -14.64c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 00:26:06   129.837293  +4.08  -14.85c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 00:27:56   167.678321  +4.18  -14.50c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 00:29:54   233.572935  +4.27  -14.60c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 742 00:31:49   280.889120  +4.36  -14.91c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 743 00:33:53   588.092117  +4.69  -14.65c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 744 00:35:52   238.537522  +4.39  -15.37c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 745 00:37:20   142.013380  +4.23  -15.59c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 00:38:58    83.798965  +3.99  -15.22c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 00:40:48   126.304581  +4.06  -14.77c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 748 00:43:31   154.074982  +4.15  -14.67c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 749 00:46:13   523.977510  +4.62  -14.92c   -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 750 00:48:59   264.665182  +4.42  -15.00c   -0.0000          40
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 00:51:22    53.167644  +3.98  -14.50c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 00:52:37   147.956813  +4.13  -15.17c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 753 00:53:49   207.434034  +4.27  -15.36c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 754 00:55:29    20.778054  +3.77  -14.87c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 755 00:57:04    54.066036  +3.95  -14.67c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 756 00:59:12   127.580634  +4.12  -14.75c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 757 01:00:21    78.793245  +3.97  -15.23c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 758 01:01:23    59.322312  +3.97  -15.15c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 759 01:02:27   181.191758  +4.25  -15.03c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 760 01:03:38   217.598035  +4.34  -15.35c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 01:04:53   735.631898  +4.76  -15.41c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 01:08:04    90.329726  +4.07  -15.16c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 01:11:12    44.885222  +3.71  -14.65c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 764 01:13:28   197.465277  +4.29  -15.03c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 765 01:15:12   258.868153  +4.39  -14.94c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 01:16:53    92.045169  +4.06  -15.27c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 01:17:59   307.458647  +4.44  -15.43c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 768 01:19:28   112.456894  +4.08  -14.59c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 769 01:20:32  1061.171265  +4.87  -15.37c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 01:24:10    61.407278  +3.91  -14.54c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 01:25:39   104.447200  +4.08  -14.57c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 772 01:27:16   150.121226  +4.07  -15.44c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 773 01:28:25    44.940846  +3.82  -15.28c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 774 01:30:10   146.000484  +4.14  -14.96c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 01:31:36    31.335042  +3.83  -14.91c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 01:32:40   200.112597  +4.32  -15.38c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 01:33:40    15.461948  +3.59  -15.25c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 778 01:34:45    59.512162  +4.02  -15.40c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 779 01:35:47    19.579012  +3.52  -15.25c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 780 01:38:30   478.179783  +4.61  -15.24c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 781 01:41:26   230.969610  +4.37  -15.44c   -0.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 782 01:44:22    89.547476  +4.01  -14.88c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 01:45:37    80.172869  +3.91  -15.39c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 01:48:14   130.744718  +4.18  -15.28c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 01:50:33   142.873571  +4.11  -14.76c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 786 01:52:52   529.056642  +4.63  -15.14c   +0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 01:54:52   423.140933  +4.52  -14.86c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 01:57:25   156.854516  +4.15  -14.96c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 01:59:40   141.872165  +4.17  -14.74c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 02:00:57   387.823732  +4.47  -15.46c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 02:02:21    83.260673  +3.93  -15.31c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 02:05:14   617.800519  +4.67  -14.76c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 793 02:08:40   411.506536  +4.49  -14.81c   +0.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 02:10:31   383.584351  +4.46  -14.47c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 02:12:11   130.956083  +4.04  -15.13c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 02:13:35   858.622578  +4.73  -15.53c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 797 02:15:06   268.317576  +4.30  -14.75c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 798 02:16:41   192.435693  +4.23  -14.70c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 02:19:36   575.394570  +4.62  -15.28c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 02:21:51   226.186786  +4.23  -15.25c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 02:23:26    90.778844  +3.83  -15.16c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 02:25:08   238.629074  +4.28  -14.87c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 02:27:43   145.750497  +4.11  -15.22c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 02:29:45    28.675884  +3.48  -15.05c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 02:31:18    10.099131  +3.35  -15.43c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 02:35:51   189.347506  +4.26  -15.17c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 02:38:34   147.708036  +4.07  -14.43c   +0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 02:40:28   214.375147  +4.21  -14.96c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 02:42:51   226.009982  +4.36  -14.48c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 02:44:04   100.526413  +3.94  -15.48c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 02:45:15   589.489085  +4.70  -15.52c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 02:46:26    12.639296  +3.41  -15.04c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 02:47:44    -0.218207  +3.22  -15.15c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 02:49:12  1095.519611  +4.89  -14.65c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 02:50:39  1425.189220  +4.89  -14.64c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 02:52:09   442.093578  +4.48  -14.84c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 02:53:47   111.019414  +3.95  -14.93c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 03:00:30    -7.600529  +2.78  -1.89    -0.0010          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 03:03:07   114.848344  +3.99  -14.93c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 03:04:07   223.740869  +4.22  -14.97c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 03:05:40   179.024881  +4.12  -15.05c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 03:07:39    85.045152  +3.86  -15.03c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 03:09:59   170.691261  +4.15  -14.93c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 03:11:43   849.579750  +4.74  -14.78c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 03:13:25    45.784510  +3.64  -14.85c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 03:14:36   746.562053  +4.72  -15.21c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 03:15:47   495.561538  +4.56  -15.38c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 03:16:59  1013.055214  +4.78  -15.11c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 03:18:36   947.451676  +4.78  -14.85c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 03:21:15    12.837788  +3.39  -15.32c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 03:24:08    59.274319  +3.80  -14.73c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 832 03:25:28   146.831207  +4.12  -14.81c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 833 03:28:24   138.617246  +4.09  -14.99c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 03:30:49     5.583062  +3.44  -15.35c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 03:34:04    18.012630  +3.54  -14.86c   +0.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 03:35:34    35.595660  +3.64  -14.75c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 03:37:36    98.247121  +3.95  -15.53c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 838 03:39:05    82.526221  +3.93  -14.79c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 03:40:54    92.570239  +3.86  -14.89c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 03:44:35   107.090626  +3.93  -14.66c   +0.0000          42
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 03:46:52   147.915906  +4.10  -14.90c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 03:49:27   159.006801  +4.18  -14.71c   -0.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 03:51:09    14.675301  +3.55  -14.76c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 03:52:55   154.547577  +4.21  -15.40c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 03:54:50   317.592633  +4.38  -14.86c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 03:57:05     5.973026  +3.37  -14.88c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 04:00:34   354.464698  +4.42  -14.76c   +0.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 04:03:06   448.313346  +4.53  -14.87c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 04:06:30   130.702221  +4.11  -14.78c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 04:08:58    74.509304  +3.90  -14.65c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 04:10:46    99.279388  +4.02  -14.58c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 04:11:50     6.409126  +3.39  -15.29c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 853 04:12:59   329.237574  +4.42  -15.26c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 04:14:48   396.300170  +4.51  -15.07c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 855 04:15:55    27.207344  +3.64  -15.45c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 856 04:18:09    19.629815  +3.66  -15.23c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 04:19:33    36.525898  +3.75  -14.70c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 04:21:41    60.085133  +3.80  -15.30c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 04:23:24    95.025206  +4.00  -15.26c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 04:24:28    22.779543  +3.63  -15.36c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 04:25:51    90.075700  +3.93  -14.57c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 04:27:13    -4.261904  +3.20  -14.94c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 04:28:15    61.223963  +3.79  -15.38c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 04:29:15   129.530619  +4.08  -15.34c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 04:30:22    23.999129  +3.66  -15.29c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 04:31:30   290.448516  +4.38  -15.33c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 04:32:48   514.930001  +4.58  -14.40c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 868 04:33:48    35.010148  +3.68  -15.29c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 869 04:34:50   321.169622  +4.43  -15.27c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 04:36:31   980.394994  +4.81  -15.37c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 04:37:31   168.285758  +4.21  -15.27c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 04:38:33    44.929840  +3.65  -15.34c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 04:39:37    76.941600  +3.79  -15.35c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 04:41:14    59.807329  +3.80  -15.56c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 04:42:16    90.382730  +3.99  -15.25c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 876 04:43:16    82.566150  +3.93  -15.32c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 04:45:55    23.215466  +3.50  -14.71c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 878 04:51:12    24.075931  +3.46  -14.89c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 04:53:11    63.732985  +3.83  -14.76c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 880 04:54:23   127.979947  +4.09  -15.17c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 881 04:55:30   213.867391  +4.28  -15.34c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 04:56:31   297.916501  +4.39  -15.35c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 04:57:38   363.313264  +4.47  -15.11c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 05:02:21   370.391293  +4.49  -14.65c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 05:04:07   259.396100  +4.35  -14.83c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 05:05:43   492.501329  +4.55  -14.88c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 887 05:11:29   197.237137  +4.26  -15.09c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 888 05:12:42     4.186611  +3.39  -15.27c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 889 05:13:46   323.600215  +4.40  -15.21c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 890 05:16:39    64.995284  +3.81  -15.50c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 05:17:50    11.383273  +3.52  -15.14c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 892 05:18:50    54.595960  +3.83  -15.29c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 893 05:19:49    19.485041  +3.62  -15.26c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 894 05:20:54    10.061336  +3.50  -15.12c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 895 05:21:56    34.209767  +3.63  -15.13c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 896 05:24:39    50.594080  +3.76  -15.28c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 05:25:44    29.623106  +3.65  -15.29c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 898 05:27:04     9.573751  +3.49  -15.64c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 899 05:28:15    10.508760  +3.48  -15.39c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 900 05:29:29    34.365088  +3.85  -15.16c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 05:30:39    33.296101  +3.64  -15.32c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 902 05:31:50     4.649389  +3.41  -15.19c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 903 05:32:58    -2.163295  +3.31  -15.20c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 904 05:34:09    12.065965  +3.53  -14.96c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 905 05:35:21   527.898681  +4.53  -14.97c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 906 05:42:32   -17.256375  +2.44  -2.36    -0.0548          37
MOM has detected variational collapse, occupied orbitals have changed
iter: 907 05:49:42   -19.884945  +2.46  -2.30    -0.0016          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 908 05:55:48     7.655719  +3.36  -14.82c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 909 05:57:06    52.974257  +3.78  -15.22c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 910 05:58:24    11.154618  +3.45  -15.14c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 911 05:59:31     3.415682  +3.47  -15.49c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 06:00:51    10.119817  +3.53  -15.19c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 06:02:06   353.958022  +4.42  -15.26c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 06:03:50    26.085912  +3.52  -15.41c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 915 06:05:01    -6.249669  +3.20  -15.27c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 06:06:10    36.408125  +3.73  -15.23c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 917 06:07:21    16.914841  +3.52  -15.48c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 06:08:25    15.843358  +3.56  -15.20c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 06:10:07    45.404559  +3.66  -15.16c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 920 06:11:16    16.856227  +3.57  -15.26c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 921 06:12:23   245.463574  +4.20  -15.43c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 06:13:34     4.452161  +3.40  -15.37c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 06:14:38    -1.114266  +3.37  -15.14c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 924 06:15:45     7.502230  +3.55  -15.37c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 06:16:52    37.168290  +3.70  -15.26c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 926 06:17:59    23.160805  +3.69  -15.41c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 06:19:03    37.079912  +3.77  -15.48c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 928 06:20:10   289.761226  +4.39  -15.33c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 929 06:21:58    22.987418  +3.70  -15.32c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 930 06:23:05    34.903887  +3.71  -15.24c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 931 06:26:04    55.156001  +3.85  -15.29c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 932 06:27:17    27.315641  +3.83  -15.44c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 933 06:32:47   865.625269  +4.78  -15.43c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 06:39:02    89.668396  +3.94  -15.40c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 935 06:40:11    19.884711  +3.69  -15.63c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 936 06:41:18    36.120980  +3.85  -15.04c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 937 06:42:22   134.861960  +4.02  -15.25c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 938 06:43:27    69.619246  +3.83  -15.46c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 939 06:45:44   753.123980  +4.74  -15.24c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 940 06:46:58    34.948464  +3.63  -15.39c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 941 06:50:13   154.450003  +4.15  -14.52c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 06:51:52    37.685188  +3.72  -15.44c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 943 06:53:32   140.818978  +4.20  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 944 06:55:19    42.004101  +3.80  -15.07c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 945 06:56:26   589.288249  +4.64  -15.40c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 946 06:57:39    25.749179  +3.62  -15.01c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 947 06:59:18   130.218629  +4.11  -15.39c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 948 07:00:58   187.115857  +4.24  -15.14c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 07:02:03     2.807685  +3.37  -15.52c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 07:03:10    67.391606  +3.95  -15.22c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 951 07:04:51   173.948062  +4.24  -15.34c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 952 07:05:54    39.736043  +3.80  -15.28c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 953 07:06:58   123.885307  +4.03  -15.41c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 954 07:08:07   128.633649  +4.13  -15.27c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 955 07:09:14    31.640996  +3.73  -15.29c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 956 07:10:34    77.328985  +3.97  -14.63c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 07:12:07    74.491096  +3.96  -14.85c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 958 07:13:12    54.096619  +3.83  -15.35c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 07:14:18    42.556036  +3.83  -15.29c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 960 07:15:24    30.109858  +3.76  -15.33c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 961 07:16:28    22.576365  +3.76  -15.34c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 07:17:33    32.173516  +3.79  -15.59c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 963 07:18:33    37.216067  +3.82  -15.45c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 964 07:19:35    67.997613  +3.91  -15.11c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 965 07:23:31   231.921882  +4.32  -15.10c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 966 07:24:42    65.280809  +3.88  -15.39c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 967 07:25:49   409.149124  +4.48  -15.23c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 968 07:26:54    24.016586  +3.57  -15.05c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 969 07:28:03    35.026189  +3.66  -15.41c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 970 07:29:07    12.630415  +3.65  -15.19c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 971 07:30:16    16.887632  +3.54  -15.67c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 972 07:32:35    67.879360  +3.84  -15.21c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 07:34:17    48.026928  +3.75  -15.37c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 07:35:24   112.331054  +4.05  -15.20c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 975 07:36:30     3.652371  +3.38  -15.43c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 976 07:38:08    71.842284  +3.91  -15.09c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 977 07:39:10    85.578186  +3.99  -15.30c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 07:40:56    20.516905  +3.68  -15.18c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 979 07:41:59    29.763496  +3.72  -15.58c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 980 07:43:12     7.449241  +3.42  -15.39c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 981 07:44:19    14.174487  +3.69  -15.37c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 982 07:45:32     1.767906  +3.35  -15.19c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 983 07:47:18    56.426812  +3.90  -15.41c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 984 07:48:24   123.578912  +4.14  -15.46c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 985 07:49:31    49.773731  +3.87  -15.31c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 07:50:47    44.192236  +3.86  -15.01c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 07:51:51   162.036342  +4.21  -15.34c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 988 07:52:53    31.897196  +3.74  -15.10c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 07:53:57    89.232049  +4.07  -15.26c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 990 07:55:28   470.814329  +4.49  -14.90c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 991 07:56:28    94.585811  +3.91  -15.05c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 07:57:59   205.072125  +4.27  -15.50c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 07:59:31   647.822419  +4.59  -14.96c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 994 08:00:40   310.505161  +4.37  -15.44c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 995 08:01:44  1550.859105  +4.79  -15.44c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 996 08:03:13   193.666579  +4.18  -14.86c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 997 08:04:24    98.111028  +4.05  -15.50c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 08:05:33  1297.246852  +4.83  -15.27c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 08:09:39   166.537257  +4.16  -15.12c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 08:11:32   176.676385  +4.25  -15.44c   +0.0000          18
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


