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

User:   aes38@compute-58
Date:   Sun Oct 22 12:40:18 2023
Arch:   x86_64
Pid:    2132978
CWD:    /users/home/aes38/Rydberg/new/ethylene/sicfromreal/news
Python: 3.9.6
gpaw:   /users/home/aes38/new-gmf-gpaw/gpaw (f5d5d6d24c)
_gpaw:  /users/home/aes38/new-gmf-gpaw/build/lib.linux-x86_64-3.9/
        _gpaw.cpython-39-x86_64-linux-gnu.so (7a0e975e9f)
ase:    /hpcapps/source/ase_dev/ase (version 3.23.0b1-d4c62f2276)
numpy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/numpy (version 1.22.4)
scipy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/scipy (version 1.8.1)
libxc:  5.1.6
units:  Angstrom and eV
cores: 64
OpenMP: False
OMP_NUM_THREADS: 1

Reading from /users/home/aes38/Rydberg/new/ethylene/news/seventhext/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: True,
                restart_canonical: True,
                restartevery_iloop_notconverged: 3,
                searchdir_algo: {'name': 'l-bfgs', 'memory': 3},
                use_prec: True}
  h: 0.15
  maxiter: 1000
  mixer: {backend: no-mixing}
  mode: {interpolation: 3,
         name: fd,
         nn: 3}
  nbands: -10
  occupations: {name: mom,
                numbers: [[1. 1. 1. ... 0. 0. 0.]
 [1. 1. 1. ... 0. 0. 0.]],
                update_numbers: True,
                use_fixed_occupations: False,
                use_projections: True}
  spinpol: True
  symmetry: off
  xc: PBE

Initialize ...

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

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

Reference energy: -2105.216880  # eV

Spin-polarized calculation.
Magnetic moment: 0.000000

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

Symmetries present (total): 1

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

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

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

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

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

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

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

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

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 183.63 MiB
  Calculator: 31.00 MiB
    Density: 11.28 MiB
      Arrays: 11.20 MiB
      Localized functions: 0.08 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 8.33 MiB
      Arrays: 8.33 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 11.39 MiB
      Arrays psit_nG: 9.84 MiB
      Eigensolver: 1.54 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

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

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

... initialized

Input parameters:
  convergence: {eigenstates: 1e-06}
  eigensolver: {blocksize: 1,
                converge_unocc: False,
                excited_state: True,
                functional: {'name': 'PZ-SIC'},
                grad_tol_inner_loop: 0.0005,
                grad_tol_pz_localization: 0.0005,
                linesearch_algo: {'name': 'max-step', 'max_step': 0.2},
                localization_tol: None,
                localizationseed: None,
                localizationtype: None,
                max_step_inner_loop: 0.2,
                maxiter_inner_loop: 100,
                maxiter_pz_localization: 50,
                maxiter_unocc: 333,
                momevery: 10,
                name: etdm-fdpw,
                need_init_orbs: False,
                need_localization: False,
                printinnerloop: True,
                restart_canonical: True,
                restartevery_iloop_notconverged: 3,
                searchdir_algo: {'name': 'l-bfgs', 'memory': 3},
                use_prec: True}
  mode: {force_complex_dtype: True,
         interpolation: 3,
         name: fd,
         nn: 3}

Initialize ...

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

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

Reference energy: -2105.216880  # eV

Spin-polarized calculation.
Magnetic moment: 0.000000

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

Symmetries present (total): 1

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

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

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

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

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

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

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

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

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 247.00 MiB
  Calculator: 42.39 MiB
    Density: 11.28 MiB
      Arrays: 11.20 MiB
      Localized functions: 0.08 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 8.33 MiB
      Arrays: 8.33 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 22.77 MiB
      Arrays psit_nG: 19.69 MiB
      Eigensolver: 3.08 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

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

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

... initialized

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

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

Initialize ...

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

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

Reference energy: -2105.216880  # eV

Spin-polarized calculation.
Magnetic moment: 0.000000

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

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

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 247.00 MiB
  Calculator: 42.39 MiB
    Density: 11.28 MiB
      Arrays: 11.20 MiB
      Localized functions: 0.08 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 8.33 MiB
      Arrays: 8.33 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 22.77 MiB
      Arrays psit_nG: 19.69 MiB
      Eigensolver: 3.08 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

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

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

... initialized

Initializing position-dependent things.

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

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

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

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

  Lengths:  20.000000  21.847084  22.456465
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:  magmom         iter
                         energy  eigst   dens             inner loop
iter:   1 12:46:20   -12.364474  +2.51  -14.98c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:   2 12:47:32   -14.076999  +2.45  -15.46c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:   3 12:48:43   -12.125826  +2.38  -15.11c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:   4 12:49:34   -16.660841  +2.23  -15.37c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:   5 12:50:20   -18.222415  +1.98  -15.12c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:   6 12:51:08   -18.709382  +2.08  -15.13c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:   7 12:52:21   -19.327361  +1.87  -15.30c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:   8 12:53:06   -17.659013  +2.16  -15.31c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:   9 12:53:54   -17.578291  +2.11  -15.14c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  10 12:54:38   -17.477757  +2.00  -15.35c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  11 12:55:20   -15.957610  +2.31  -15.25c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  12 12:56:06   -18.838697  +1.94  -14.86c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  13 12:57:14   -17.061007  +2.14  -14.75c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  14 12:58:09   -16.944042  +2.20  -15.26c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  15 12:58:55   -17.624949  +2.07  -15.23c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  16 12:59:40   -16.121480  +2.29  -15.30c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  17 13:01:06   -14.479148  +2.42  -14.74c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  18 13:04:06   -15.199926  +2.37  -15.21c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  19 13:04:50   -15.296576  +2.41  -14.90c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  20 13:05:35   -15.383389  +2.34  -15.42c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  21 13:06:20   -11.513890  +2.61  -15.29c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  22 13:07:06    -9.640494  +2.71  -15.22c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  23 13:07:49    -7.884200  +2.68  -15.31c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  24 13:08:44    -9.624161  +2.62  -14.85c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  25 13:09:50    -3.515359  +2.87  -15.26c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  26 13:10:39    33.652964  +3.31  -15.07c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  27 13:11:23    -7.565249  +2.78  -15.21c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  28 13:12:22    -4.937364  +2.89  -14.87c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  29 13:13:13    -3.785213  +2.89  -15.23c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  30 13:14:04    -6.914332  +2.78  -15.32c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  31 13:14:47   -10.387646  +2.69  -15.29c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  32 13:15:32    59.658286  +3.51  -15.30c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  33 13:16:29    -9.420212  +2.79  -15.09c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter:  34 13:20:45    14.975895  +2.88  -14.84c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter:  35 13:22:52     1.148792  +2.78  -14.99c   -0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter:  36 13:24:27    -2.367177  +2.94  -15.03c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  37 13:25:41    37.863595  +3.39  -15.09c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  38 13:26:27    -5.413917  +2.90  -15.49c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  39 13:27:40    -2.903052  +2.91  -15.33c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  40 13:28:43   -15.457243  +2.38  -15.58c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  41 13:29:27    30.107141  +3.37  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  42 13:30:11   -14.026125  +2.61  -15.47c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  43 13:31:21    74.176860  +3.66  -15.23c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  44 13:32:35    -6.967188  +2.84  -15.09c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  45 13:34:14    -8.247998  +2.83  -14.82c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter:  46 13:35:02    -7.127896  +2.90  -15.13c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  47 13:35:47    -0.453569  +3.13  -15.19c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  48 13:36:56     2.386164  +3.17  -15.48c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  49 13:37:40    -5.215159  +3.13  -15.59c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  50 13:38:25     9.543065  +3.23  -15.51c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  51 13:40:02    53.571375  +3.54  -15.31c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  52 13:41:06    21.801068  +3.32  -14.72c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  53 13:42:13     8.511080  +3.17  -15.37c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  54 13:43:41     6.654079  +3.40  -15.08c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  55 13:44:48    26.446061  +3.55  -15.44c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  56 13:45:48   106.146492  +3.80  -15.08c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  57 13:46:40    87.591592  +3.87  -14.89c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  58 13:47:49    -2.836771  +3.17  -15.27c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  59 13:48:57     2.915340  +3.38  -14.36c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  60 13:49:39   204.517485  +4.09  -15.38c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  61 13:50:30    20.149262  +3.45  -15.27c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  62 13:51:26     6.014083  +3.09  -15.01c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  63 13:52:15   -13.522718  +2.88  -15.19c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  64 13:53:02   -15.671327  +2.90  -15.47c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  65 13:53:53    -5.525462  +3.22  -15.28c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  66 13:54:49     7.409392  +3.15  -15.24c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  67 13:55:45   -14.246983  +2.88  -15.34c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  68 13:56:30    -7.416358  +2.98  -15.06c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  69 13:57:14     1.128711  +3.43  -15.61c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  70 13:58:04     3.813783  +3.51  -15.58c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  71 13:59:02    18.795439  +3.63  -14.86c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  72 14:00:17    65.373937  +4.13  -15.29c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  73 14:01:00    56.278674  +4.14  -15.28c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  74 14:01:47   139.862185  +4.30  -15.28c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  75 14:02:44   148.260304  +4.42  -14.66c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  76 14:04:17   169.546041  +4.20  -15.33c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  77 14:05:05    52.109227  +4.02  -15.34c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  78 14:06:31   128.491460  +4.32  -14.62c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  79 14:07:42   135.097685  +4.47  -15.16c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  80 14:08:33   245.585428  +4.68  -15.04c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  81 14:09:20   165.822710  +4.48  -15.13c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  82 14:10:24   365.779144  +4.81  -14.85c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  83 14:11:26    27.313800  +3.87  -15.29c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter:  84 14:12:56    47.450909  +4.00  -14.76c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  85 14:14:02    64.149619  +4.14  -14.98c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  86 14:15:44    30.740226  +3.92  -15.37c   -0.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter:  87 14:17:05   142.639801  +4.49  -15.60c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter:  88 14:18:06    44.781030  +4.04  -15.00c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  89 14:18:48   256.845019  +4.39  -15.29c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  90 14:19:33    23.418580  +3.71  -15.29c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  91 14:21:00   221.584472  +4.65  -15.03c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  92 14:21:57    62.453149  +3.94  -14.62c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  93 14:23:34    40.150818  +3.87  -15.18c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  94 14:25:01   139.396714  +4.46  -14.89c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter:  95 14:26:26    33.901064  +3.95  -15.05c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter:  96 14:28:30   140.296444  +4.43  -14.96c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter:  97 14:29:41    74.015045  +4.24  -15.09c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  98 14:30:34    60.090567  +4.11  -15.21c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  99 14:31:41    56.331312  +3.97  -14.54c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 100 14:33:17   101.976068  +4.23  -15.14c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 101 14:34:09   262.776257  +4.34  -15.46c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 102 14:35:23   199.874781  +4.53  -14.96c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 103 14:36:22    -2.550840  +3.05  -14.77c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 104 14:37:23   185.897344  +4.42  -14.61c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 105 14:38:27    74.746499  +3.81  -14.80c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 106 14:39:12   110.996947  +4.26  -15.56c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 107 14:39:58    33.654145  +3.86  -14.87c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 108 14:40:44   114.987570  +4.35  -15.48c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 109 14:41:57    78.872686  +4.20  -15.42c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 110 14:43:25    84.972543  +3.66  -15.38c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 111 14:44:13    21.249449  +3.73  -15.22c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 14:45:05   149.143584  +4.42  -15.25c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 113 14:46:05    60.054147  +4.01  -15.08c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 114 14:46:50   176.129688  +4.13  -15.58c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 14:48:16    44.542937  +4.01  -15.06c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 14:49:37    64.205553  +4.08  -14.99c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 117 14:50:43    69.491716  +3.88  -14.87c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 118 14:52:13    25.718823  +3.74  -15.33c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 14:52:57    98.049259  +4.29  -15.41c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 14:53:44    26.439971  +3.80  -15.32c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 121 14:54:29    27.080254  +3.75  -15.20c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 122 14:56:17    43.049913  +4.05  -14.97c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 14:58:00    97.567738  +4.33  -14.59c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 124 14:59:24   181.954080  +4.49  -14.83c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 15:00:45    83.358926  +4.17  -14.69c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 15:01:40   356.323982  +4.56  -14.69c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 15:02:36    28.627422  +3.87  -14.87c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 128 15:03:52    38.007872  +3.98  -14.65c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 129 15:04:55    39.197887  +3.99  -15.24c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 130 15:06:04    94.860721  +4.25  -15.32c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 131 15:06:48    -4.257086  +3.40  -15.06c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 132 15:07:35    52.263744  +4.07  -14.97c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 133 15:09:34   130.255714  +4.45  -15.27c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 134 15:10:16    56.360420  +3.98  -15.39c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 135 15:11:04   104.292163  +4.29  -15.38c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 136 15:12:11   169.752844  +4.47  -15.30c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 137 15:13:12   165.662627  +4.46  -14.74c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 138 15:13:57   195.819643  +4.51  -15.41c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 139 15:14:42    30.643937  +3.94  -15.33c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 140 15:15:35    56.735204  +4.02  -14.95c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 141 15:16:20   100.867398  +4.23  -15.12c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 142 15:17:28   225.192248  +4.51  -14.99c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 143 15:18:12   110.388566  +4.32  -15.37c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 144 15:19:40    45.127218  +4.07  -15.38c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 145 15:21:02   325.197531  +4.63  -14.70c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 146 15:22:10   111.575140  +4.33  -15.26c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 147 15:23:23   286.162614  +4.66  -15.04c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 148 15:25:16   298.899315  +4.63  -14.77c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 149 15:26:20    83.807581  +4.14  -14.96c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 150 15:28:16   352.953491  +4.74  -14.96c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 151 15:29:20   466.758573  +4.85  -14.95c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 152 15:30:14   305.551797  +4.69  -15.23c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 153 15:31:01   541.401482  +4.84  -15.14c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 154 15:32:33   695.342410  +4.93  -14.45c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 155 15:33:48   300.971147  +4.53  -14.50c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 156 15:34:37   282.785299  +4.61  -15.41c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 157 15:36:01   122.812581  +4.37  -14.94c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 158 15:37:09   154.409730  +4.38  -15.25c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 159 15:38:12   190.924905  +4.57  -15.36c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 160 15:38:57   103.440080  +4.28  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 161 15:39:42    12.307920  +3.40  -15.24c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 162 15:40:47   213.198666  +4.49  -14.99c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 163 15:41:48   145.023087  +4.32  -14.63c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 164 15:43:39    19.927387  +3.35  -14.69c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 165 15:44:29    68.589079  +4.17  -15.44c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 166 15:45:33   106.638034  +4.37  -15.33c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 167 15:46:37   153.683787  +4.29  -14.90c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 15:47:32   202.121236  +4.57  -14.68c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 169 15:48:15   233.241113  +4.47  -15.44c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 170 15:49:34    54.689811  +3.94  -14.55c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 171 15:51:10   190.648414  +4.59  -15.29c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 172 15:53:06    48.251581  +3.88  -14.68c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 173 15:54:22   213.625586  +4.62  -15.34c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 174 15:55:10   212.547792  +4.56  -15.41c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 175 15:55:58    94.246688  +4.28  -15.59c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 176 15:57:05    79.769101  +4.23  -15.38c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 177 15:59:03   166.058034  +4.43  -15.22c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 178 16:00:25   303.331666  +4.67  -14.57c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 179 16:02:00   473.302610  +4.81  -14.86c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 180 16:03:18   246.688493  +4.53  -14.52c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 181 16:04:41    33.225466  +3.70  -14.89c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 182 16:05:38    62.376958  +4.09  -14.77c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 183 16:06:39   143.553875  +4.17  -14.95c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 184 16:07:24   106.060521  +4.21  -15.39c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 185 16:08:37   259.962623  +4.69  -15.37c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 186 16:09:56   769.933449  +4.97  -14.61c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 187 16:11:20    96.374568  +4.16  -14.78c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 188 16:12:04   129.389593  +4.35  -15.26c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 189 16:12:48    85.967544  +4.14  -15.37c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 190 16:13:58   110.701065  +4.28  -15.20c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 191 16:15:05   725.217117  +4.89  -15.18c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 192 16:15:53    80.902073  +4.11  -15.15c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 193 16:17:32   214.417914  +4.50  -14.51c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 194 16:19:25    62.002528  +3.93  -14.92c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 195 16:20:30    80.573824  +4.16  -14.71c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 196 16:21:48    67.391493  +4.17  -15.37c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 197 16:23:52    77.677509  +4.10  -14.90c   +0.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 198 16:25:22   117.127973  +4.28  -14.96c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 199 16:27:28   126.097508  +4.38  -14.63c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 200 16:29:06    71.714310  +4.06  -14.63c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 201 16:30:50   111.158593  +4.28  -14.97c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 202 16:31:57    81.726721  +4.25  -14.71c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 203 16:32:43   108.319165  +4.21  -15.33c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 204 16:34:02    18.933249  +3.55  -14.78c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 205 16:35:20   140.654426  +4.41  -14.70c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 206 16:36:24    83.123809  +4.25  -15.33c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 207 16:38:38    33.186727  +3.83  -14.90c   -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 208 16:40:43   131.062020  +4.31  -14.80c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 209 16:42:04   943.053064  +5.02  -15.33c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 210 16:43:29   163.531971  +4.15  -14.64c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 211 16:44:54   313.139855  +4.70  -14.76c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 212 16:46:16    55.850610  +3.94  -14.92c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 213 16:48:40   146.461814  +4.39  -14.94c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 214 16:50:09    81.890542  +3.97  -15.34c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 215 16:51:35   130.348974  +4.26  -15.35c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 216 16:53:38   142.344269  +4.45  -14.82c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 217 16:54:49   225.715171  +4.64  -15.29c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 218 16:56:34   239.039117  +4.55  -14.98c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 219 16:58:00   212.552043  +4.62  -15.04c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 220 16:58:50   117.258856  +4.40  -15.27c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 221 17:00:00   122.652742  +4.14  -14.83c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 222 17:01:09    94.229332  +3.81  -14.59c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 223 17:02:28    47.778051  +4.02  -14.53c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 224 17:03:42   140.623361  +4.37  -14.84c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 225 17:04:55    71.328880  +4.15  -14.87c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 226 17:05:48   237.325013  +4.61  -15.71c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 227 17:06:56    75.053593  +4.12  -14.84c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 228 17:08:08    52.007660  +3.91  -15.40c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 229 17:08:54   108.554567  +4.36  -15.39c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 230 17:09:44   110.539516  +4.27  -15.21c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 231 17:10:30   400.282324  +4.81  -15.37c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 232 17:11:12   444.040423  +4.79  -15.14c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 233 17:11:54   850.895947  +5.06  -15.42c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 234 17:13:05   108.355771  +4.31  -15.25c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 235 17:14:48   117.912508  +4.27  -15.24c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 236 17:16:25   117.930212  +4.32  -14.80c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 237 17:17:17    46.329489  +3.95  -15.26c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 238 17:18:10   186.129176  +4.51  -15.29c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 239 17:19:27   444.748572  +4.88  -14.89c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 240 17:20:58   107.942129  +4.25  -14.71c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 241 17:22:29   191.128413  +4.57  -15.15c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 242 17:23:40   415.368915  +4.90  -15.24c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 243 17:24:43   212.307118  +4.65  -14.68c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 244 17:25:29    58.969659  +4.13  -15.29c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 245 17:27:21   153.812200  +4.37  -14.85c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 246 17:28:43   229.936555  +4.57  -14.81c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 247 17:29:39   188.468347  +4.59  -15.43c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 248 17:30:32   381.083403  +4.84  -15.33c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 249 17:31:48   179.163595  +4.56  -14.95c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 250 17:32:46   127.602204  +4.41  -15.47c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 251 17:33:37   140.796140  +4.34  -15.22c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 17:34:58   249.383590  +4.64  -15.54c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 253 17:36:23   436.001386  +4.85  -14.86c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 254 17:37:13   351.486204  +4.78  -15.33c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 17:38:28   381.959498  +4.78  -15.37c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 256 17:40:03   616.114258  +4.99  -14.86c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 257 17:40:55   238.004011  +4.54  -15.32c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 258 17:42:10  1219.969414  +5.16  -14.75c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 17:43:20   825.123079  +5.10  -14.66c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 260 17:44:18   100.794531  +4.27  -15.26c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 261 17:45:50   236.269256  +4.51  -14.77c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 17:47:33    97.232531  +4.23  -14.93c   -0.0000          37
MOM has detected variational collapse, occupied orbitals have changed
iter: 263 17:48:32   152.863042  +4.28  -15.18c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 264 17:49:26   469.106675  +4.77  -15.26c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 265 17:51:06    66.726668  +4.09  -14.89c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 266 17:52:24    21.309224  +3.64  -15.09c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 267 17:53:43    33.109999  +3.72  -14.66c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 268 17:54:25    22.698102  +3.74  -15.28c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 269 17:55:45    52.007902  +4.01  -15.31c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 270 17:57:00   356.273392  +4.71  -15.44c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 271 17:57:44   171.919459  +4.45  -15.60c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 272 17:59:15   304.298651  +4.67  -15.18c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 273 18:00:27   237.237160  +4.57  -15.07c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 274 18:02:15   340.951074  +4.71  -15.08c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 275 18:03:24   245.696744  +4.59  -14.80c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 276 18:04:12   387.443033  +4.77  -15.63c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 277 18:05:06   276.965293  +4.65  -14.81c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 278 18:06:29    78.530618  +4.14  -14.87c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 279 18:07:14    48.318917  +3.92  -15.55c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 280 18:08:07   146.574773  +4.35  -15.21c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 281 18:09:00   204.833850  +4.34  -15.37c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 282 18:09:46    98.959268  +4.00  -15.42c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 283 18:11:12   101.615422  +4.27  -14.80c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 18:12:29   444.783331  +4.85  -15.24c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 18:13:38   531.843147  +4.91  -14.71c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 18:14:45   125.851141  +4.41  -14.68c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 287 18:15:58   341.210249  +4.75  -14.74c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 18:16:47   181.853422  +4.40  -15.26c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 289 18:17:56   385.756397  +4.80  -14.62c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 290 18:19:27    59.993668  +4.05  -14.85c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 291 18:20:34   184.646384  +4.32  -14.90c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 292 18:21:22   162.630249  +4.51  -15.47c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 293 18:22:22    72.081603  +4.14  -14.86c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 294 18:23:06    39.250079  +3.89  -14.93c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 18:25:02   138.923493  +4.43  -15.30c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 18:26:07   195.051905  +4.30  -14.89c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 297 18:27:16    79.450462  +4.11  -15.09c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 18:29:01   156.617856  +4.39  -15.46c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 18:30:49   288.956132  +4.63  -15.39c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 18:32:01   370.161291  +4.73  -14.67c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 18:33:03   436.480399  +4.84  -14.61c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 18:34:27   123.861152  +4.36  -14.78c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 303 18:35:43    74.298544  +4.23  -15.34c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 18:37:08   206.139674  +4.38  -15.36c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 18:38:20   140.864845  +4.37  -14.76c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 18:39:32   226.535421  +4.63  -14.72c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 307 18:41:18   117.650971  +4.28  -14.66c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 308 18:42:20   412.408109  +4.80  -15.40c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 309 18:43:57   114.581517  +4.31  -14.90c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 310 18:45:09   174.223867  +4.39  -15.39c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 311 18:46:20   144.618296  +4.38  -14.77c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 18:47:50   185.901791  +4.44  -15.24c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 313 18:49:11    89.347485  +4.00  -14.94c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 314 18:49:55    31.478185  +3.90  -15.41c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 315 18:51:26    54.704279  +4.15  -15.02c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 316 18:52:37   176.378579  +4.50  -14.81c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 18:53:37    75.366959  +3.89  -14.61c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 318 18:54:33    16.592397  +3.43  -15.19c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 319 18:56:01   208.484894  +4.43  -14.62c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 320 18:57:53    77.043659  +4.20  -14.62c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 321 18:59:16    36.216719  +3.83  -15.27c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 322 19:01:22    68.956542  +4.01  -15.28c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 323 19:02:43   108.660517  +4.29  -15.36c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 324 19:04:09    36.382412  +3.81  -14.88c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 325 19:06:41    15.345793  +3.49  -15.25c   -0.0000          42
MOM has detected variational collapse, occupied orbitals have changed
iter: 326 19:07:37    24.759340  +3.74  -15.43c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 327 19:08:25   121.071345  +4.33  -15.28c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 328 19:09:28    80.664561  +4.19  -14.95c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 329 19:10:15    34.827727  +3.66  -15.32c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 330 19:11:03   138.823292  +4.37  -15.55c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 331 19:11:48    67.895217  +4.14  -15.11c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 19:12:30    41.452758  +3.92  -15.14c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 333 19:13:20    32.909251  +3.96  -15.04c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 334 19:14:19   183.622375  +4.46  -14.77c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 335 19:15:56    37.777970  +3.91  -15.26c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 19:16:58   179.173477  +4.46  -14.56c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 337 19:18:32   270.671858  +4.63  -14.80c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 338 19:19:30   168.038373  +4.36  -15.28c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 19:20:46   124.476593  +4.29  -14.62c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 340 19:21:51   214.615440  +4.55  -15.12c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 341 19:23:17   280.511074  +4.46  -14.90c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 342 19:26:01    70.718451  +4.05  -14.97c   -0.0000          41
MOM has detected variational collapse, occupied orbitals have changed
iter: 343 19:27:50    81.646434  +4.06  -15.26c   +0.0000          56
MOM has detected variational collapse, occupied orbitals have changed
iter: 344 19:29:41    62.980614  +4.10  -14.55c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 345 19:31:19    77.223722  +4.17  -14.96c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 346 19:32:09   217.679135  +4.53  -15.41c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 347 19:33:12   128.153819  +4.29  -14.58c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 19:34:27   293.701557  +4.69  -14.85c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 349 19:35:39   279.239781  +4.66  -15.10c   -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 19:37:01    65.049530  +3.89  -14.87c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 19:38:05   220.905607  +4.50  -15.45c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 19:39:24   118.929732  +4.21  -15.25c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 353 19:41:05    17.874979  +3.27  -15.10c   -0.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 19:42:29    30.729318  +3.77  -15.08c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 355 19:44:27    83.203586  +4.17  -14.68c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 356 19:45:15    52.382745  +4.02  -15.10c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 357 19:46:06    48.259619  +3.88  -15.23c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 19:47:16   544.147304  +4.89  -14.81c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 19:48:08    70.994009  +4.15  -15.30c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 19:49:25    79.477143  +4.26  -15.25c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 361 19:51:19    11.562230  +3.56  -14.57c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 19:52:47   101.069632  +4.14  -14.91c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 363 19:53:37    84.033477  +4.16  -15.37c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 364 19:54:24    40.658713  +4.03  -15.16c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 365 19:55:11    74.591449  +4.20  -15.34c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 366 19:57:05    22.792681  +3.82  -14.80c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 367 19:58:11   100.881426  +4.30  -14.91c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 368 19:59:05   200.124286  +4.52  -15.43c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 369 20:00:35    43.807038  +3.85  -15.36c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 370 20:01:51    92.323155  +4.21  -15.34c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 371 20:03:06   495.674879  +4.86  -15.24c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 372 20:04:02    84.596088  +4.22  -15.50c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 20:05:14    59.503515  +4.10  -14.77c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 374 20:07:36   130.020126  +4.27  -14.79c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 375 20:09:18   210.975970  +4.55  -14.89c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 20:11:06   389.798642  +4.74  -14.83c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 377 20:11:58   203.147142  +4.49  -15.04c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 20:12:53   472.678232  +4.81  -15.30c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 20:13:57    25.259443  +3.58  -15.01c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 380 20:15:00    89.830915  +4.25  -15.10c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 20:16:26   286.709608  +4.58  -14.83c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 382 20:17:23   134.285948  +4.40  -14.99c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 383 20:18:30   182.289124  +4.38  -15.14c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 384 20:19:47    59.637258  +3.82  -15.29c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 20:21:11    94.301416  +4.21  -15.29c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 386 20:22:26    52.319322  +3.92  -14.63c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 20:23:26    62.747116  +4.16  -15.27c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 388 20:24:29   163.230621  +4.37  -14.70c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 389 20:25:59   148.767718  +4.43  -14.65c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 20:27:32   196.530360  +4.46  -14.41c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 391 20:29:01    84.681535  +4.13  -14.87c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 392 20:31:31    93.623743  +4.19  -14.65c   +0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 393 20:32:55   119.487754  +4.24  -14.65c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 394 20:34:17   117.116416  +4.37  -14.63c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 20:35:40     4.608925  +3.45  -14.80c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 396 20:37:06    37.933425  +3.89  -14.72c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 397 20:38:26     8.701067  +3.52  -15.02c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 398 20:39:27   154.606648  +4.44  -14.78c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 20:40:33   102.962778  +4.41  -14.48c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 400 20:41:23    63.728880  +4.15  -14.66c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 401 20:42:06    55.743760  +4.08  -15.22c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 20:42:48    79.882777  +4.30  -15.34c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 20:43:32   240.842969  +4.66  -15.18c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 20:44:42    96.427745  +4.28  -15.49c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 20:45:37    64.918894  +4.17  -15.17c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 20:46:35   223.020485  +4.56  -14.75c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 20:47:22   115.637413  +4.30  -15.24c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 20:48:19    10.057064  +3.49  -15.35c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 409 20:49:14   241.071793  +4.52  -14.87c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 410 20:49:58    65.204415  +4.17  -15.27c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 411 20:50:49   177.839758  +4.47  -15.43c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 412 20:51:32    66.837212  +4.06  -15.39c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 413 20:52:28    43.023716  +3.98  -15.42c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 20:53:31   196.698739  +4.62  -14.87c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 415 20:54:22   105.585733  +4.37  -15.26c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 416 20:55:24   194.676254  +4.52  -14.63c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 20:56:24   109.276783  +4.23  -14.79c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 418 20:57:44   203.868697  +4.41  -15.38c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 419 20:59:02   225.759991  +4.47  -14.63c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 21:00:15    26.243166  +3.73  -14.81c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 21:01:16    34.115545  +3.95  -14.69c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 21:04:44    21.720147  +3.71  -15.43c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 423 21:06:25    44.143535  +4.06  -14.90c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 21:07:16    64.467353  +4.24  -15.07c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 425 21:08:36    81.739648  +4.26  -15.05c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 21:09:24   125.489961  +4.48  -15.33c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 21:10:49    41.930995  +4.03  -14.98c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 428 21:11:32    34.945560  +4.03  -15.26c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 21:12:30    84.090013  +3.96  -14.86c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 21:13:31    47.651290  +3.95  -14.72c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 21:14:50     8.094409  +3.72  -15.47c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 432 21:15:48    28.038867  +3.94  -14.79c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 21:16:45   136.037090  +4.48  -14.67c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 434 21:17:33    36.249396  +4.04  -15.10c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 21:18:38    56.907289  +4.10  -15.26c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 21:19:23   182.461343  +4.49  -15.32c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 21:20:22   223.375719  +4.46  -15.18c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 438 21:21:19    82.181774  +4.24  -14.74c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 439 21:22:24    61.873565  +4.09  -15.50c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 21:23:41   120.963378  +4.34  -14.74c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 441 21:24:26    15.185532  +3.70  -15.40c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 442 21:25:20    41.071964  +4.12  -15.35c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 443 21:26:17    32.163772  +3.93  -14.67c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 21:27:00   101.204267  +4.40  -15.24c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 21:27:58   105.243897  +4.31  -14.82c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 446 21:28:40    73.178104  +4.21  -15.34c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 447 21:29:28   219.931593  +4.55  -15.15c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 448 21:30:25   253.472818  +4.64  -14.62c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 449 21:31:06   107.289605  +4.15  -15.11c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 21:31:55    72.865190  +4.21  -15.04c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 21:32:47   104.508874  +4.30  -14.82c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 21:33:55    15.076860  +3.76  -15.02c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 453 21:35:51    19.911229  +3.73  -15.06c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 21:39:41    21.081429  +3.53  -14.74c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 455 21:40:51   199.086473  +4.57  -14.70c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 456 21:43:29    12.435595  +3.57  -15.58c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 457 21:44:17    15.695831  +3.81  -15.33c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 458 21:52:43    -7.478586  +2.96  -2.23    +0.0109         129
iter: 459 21:53:57   -16.514677  +2.58  -3.23    +0.0096          40
MOM has detected variational collapse, occupied orbitals have changed
iter: 460 21:57:17    32.845478  +3.73  -14.90c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 21:58:46    26.757441  +3.71  -14.87c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 21:59:30    30.747143  +3.84  -15.17c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 463 22:00:18   162.076411  +4.32  -15.32c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 464 22:01:53    55.845395  +4.11  -14.92c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 22:02:59    38.470674  +3.83  -14.88c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 466 22:04:03   287.788816  +4.67  -14.89c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 22:05:14   106.696176  +4.15  -14.83c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 22:06:26    15.118041  +3.46  -14.62c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 22:07:36   196.146039  +4.35  -14.75c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 470 22:09:16    60.203411  +3.95  -14.91c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 471 22:11:27   200.749456  +4.36  -14.88c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 22:12:49     2.518228  +3.27  -14.59c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 22:14:09    49.635866  +3.79  -14.41c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 22:15:24    29.445266  +3.66  -14.49c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 22:16:52    35.001567  +3.65  -14.88c   -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 22:18:08    29.794120  +3.75  -14.79c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 477 22:19:21    28.996204  +3.80  -14.96c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 22:20:45    88.102029  +4.18  -15.20c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 22:22:10   113.548587  +4.11  -14.48c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 22:24:14    12.434314  +3.57  -14.67c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 481 22:25:23    88.343479  +4.18  -14.76c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 482 22:26:38    68.529218  +4.06  -14.74c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 483 22:28:15    83.450798  +4.21  -14.36c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 484 22:29:29     9.006152  +3.52  -14.47c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 22:30:19    86.541787  +4.21  -15.23c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 486 22:31:18   129.056010  +4.24  -14.84c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 487 22:32:15    64.096845  +4.17  -15.32c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 488 22:33:24   180.805472  +4.47  -14.99c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 489 22:34:33    35.389844  +3.86  -14.72c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 22:35:18   175.466288  +4.47  -15.35c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 491 22:36:32   236.927635  +4.56  -15.26c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 22:37:53   196.751035  +4.51  -14.49c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 493 22:38:51   159.554452  +4.42  -15.37c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 494 22:40:09    48.978627  +3.97  -14.68c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 495 22:41:21    21.864794  +3.75  -14.92c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 496 22:42:13     1.831829  +3.34  -15.07c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 22:43:37    44.152899  +3.95  -14.73c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 22:45:34   215.143578  +4.39  -14.71c   -0.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 22:46:54    98.003012  +3.94  -14.82c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 500 22:47:50    74.067404  +4.18  -15.46c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 22:48:38   151.606106  +4.29  -15.38c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 22:49:34   145.365735  +4.37  -15.41c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 22:50:49    11.834309  +3.46  -14.69c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 504 22:51:56   165.374773  +4.39  -15.30c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 505 22:52:41   220.294989  +4.51  -15.18c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 506 22:53:26    87.524046  +4.17  -15.02c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 507 22:54:34    -2.523214  +3.42  -15.36c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 22:55:20    95.145306  +4.08  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 509 22:56:05   229.328332  +4.38  -15.19c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 510 22:57:06    30.696335  +3.66  -14.91c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 511 22:57:49    65.595907  +4.10  -15.04c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 512 22:58:30    82.341080  +4.00  -15.19c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 513 22:59:09   198.381492  +4.50  -15.16c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 22:59:53    97.315083  +4.27  -14.98c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 515 23:00:38   704.895633  +4.91  -15.54c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 23:01:20   307.996899  +4.65  -14.94c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 517 23:02:07  1220.253872  +5.03  -15.32c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 23:02:50   170.765104  +4.27  -15.12c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 23:04:09   141.538011  +4.15  -14.94c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 520 23:04:56   337.420816  +4.43  -15.05c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 521 23:06:26    14.989631  +3.51  -15.19c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 522 23:07:10   142.351666  +4.22  -15.16c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 523 23:08:18     2.489211  +3.43  -15.01c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 524 23:09:05    25.738075  +3.65  -15.41c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 525 23:09:47     5.557329  +3.47  -15.49c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 526 23:10:46    14.396022  +3.59  -14.58c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 23:11:29    39.953217  +3.81  -15.45c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 23:12:12    34.145066  +3.77  -15.14c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 23:12:56   105.208160  +4.09  -15.61c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 23:13:35   108.182290  +4.13  -15.54c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 23:14:21   294.629088  +4.42  -15.59c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 23:15:36    79.369679  +4.00  -14.78c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 23:16:19   141.183052  +4.21  -15.37c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 534 23:18:11   238.909289  +4.33  -15.18c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 535 23:18:57    24.420528  +3.66  -15.29c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 536 23:20:24   133.016147  +4.19  -15.47c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 537 23:21:21   127.705921  +4.16  -14.71c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 538 23:22:56   111.794257  +3.90  -15.05c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 23:24:43    73.884296  +3.94  -14.67c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 540 23:25:29   168.266098  +4.16  -15.39c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 541 23:26:54   249.064412  +4.40  -15.50c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 542 23:27:35    19.965074  +3.50  -15.19c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 543 23:28:19   197.068666  +4.23  -15.20c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 544 23:29:18   238.704613  +4.33  -14.66c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 545 23:30:02   178.151602  +4.22  -15.20c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 546 23:30:47   526.629202  +4.60  -15.30c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 547 23:31:28   199.014586  +4.27  -15.41c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 548 23:33:09  1302.821836  +4.87  -15.32c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 549 23:34:19  1346.682849  +4.86  -14.63c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 23:35:34  1615.768145  +4.85  -14.84c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 551 23:36:57    39.881364  +3.76  -14.77c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 552 23:37:40   100.228344  +3.94  -15.26c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 553 23:38:25    23.808725  +3.53  -15.38c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 23:39:32    11.325362  +3.33  -15.02c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 555 23:40:12    71.818403  +3.90  -15.45c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 23:41:19   102.714005  +4.02  -15.52c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 23:42:17  1700.529343  +4.81  -15.46c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 23:43:01   180.944839  +4.16  -15.17c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 559 23:44:04   115.884312  +3.96  -15.43c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 560 23:45:09    41.485365  +3.63  -15.58c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 23:46:20    28.704750  +3.68  -15.36c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 562 23:47:49    93.457560  +3.94  -15.39c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 23:48:55   136.506151  +4.11  -15.25c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 23:50:24   239.509884  +4.19  -15.30c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 565 23:51:06   416.317850  +4.46  -15.26c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 566 23:52:19   644.590362  +4.66  -15.18c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 23:53:03   342.911781  +4.46  -15.43c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 568 23:53:49    47.124890  +3.80  -15.17c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 23:55:43   185.446224  +4.20  -15.34c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 570 23:57:05    24.955663  +3.61  -14.74c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 23:57:52   965.253988  +4.77  -15.20c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 23:58:49   726.816480  +4.68  -14.75c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 23:59:36   393.804376  +4.41  -15.39c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 00:00:32   197.448488  +4.22  -14.92c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 575 00:01:32   984.828292  +4.76  -14.60c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 576 00:02:54   138.964962  +4.07  -14.93c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 577 00:04:01    41.793932  +3.63  -15.18c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 00:05:10    32.205189  +3.63  -14.81c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 579 00:06:46    51.107886  +3.87  -15.30c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 580 00:08:21   226.640954  +4.23  -14.74c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 581 00:09:22   430.968146  +4.44  -14.79c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 582 00:10:52   198.001789  +4.25  -15.24c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 00:11:59    13.500593  +3.36  -15.03c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 584 00:12:43    86.993686  +4.00  -15.70c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 00:13:26    -7.614816  +2.98  -15.47c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 00:14:30    88.762881  +3.98  -15.19c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 00:15:18    21.606740  +3.50  -15.28c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 00:16:36   413.153922  +4.45  -14.85c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 00:17:19    34.110802  +3.63  -15.16c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 00:18:02   669.297552  +4.60  -15.46c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 591 00:19:25    37.804676  +3.81  -14.91c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 592 00:20:08    58.831950  +3.82  -15.21c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 00:21:12   119.807098  +4.01  -15.22c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 594 00:22:17   656.674358  +4.59  -15.33c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 595 00:23:02   254.300889  +4.19  -15.51c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 596 00:25:05   499.053424  +4.56  -14.87c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 597 00:27:03   383.067291  +4.45  -14.59c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 598 00:29:18   196.150946  +4.26  -14.69c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 599 00:30:18    90.022067  +4.05  -14.73c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 600 00:31:00    31.919981  +3.75  -15.44c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 601 00:32:15   196.898884  +4.27  -15.35c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 602 00:33:23   604.646725  +4.60  -15.19c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 603 00:34:12    48.403839  +3.70  -15.21c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 604 00:34:55    79.877844  +3.97  -15.49c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 605 00:35:44   267.683279  +4.36  -15.37c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 606 00:36:30   677.423458  +4.66  -15.53c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 607 00:37:35   330.418950  +4.36  -15.48c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 608 00:38:42   638.462148  +4.66  -15.14c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 00:39:32    25.246527  +3.55  -15.05c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 610 00:40:36   149.453944  +4.15  -14.89c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 611 00:42:01    88.215994  +3.85  -15.00c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 00:42:45    93.721131  +3.95  -15.09c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 613 00:44:03    56.940156  +3.76  -15.00c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 614 00:44:45   214.303923  +4.22  -15.53c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 615 00:45:49   256.649524  +4.37  -15.31c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 616 00:46:32    40.525147  +3.70  -15.44c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 617 00:47:41   519.733686  +4.57  -15.36c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 618 00:48:25   133.006062  +4.03  -15.48c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 00:49:23   147.987883  +4.07  -14.82c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 620 00:50:09    65.541210  +3.93  -15.39c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 621 00:51:14   143.680672  +4.14  -15.57c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 622 00:51:59   779.668296  +4.61  -15.05c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 00:53:17    36.327437  +3.69  -14.67c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 00:54:24   642.926591  +4.55  -15.25c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 625 00:55:30   378.060157  +4.47  -15.60c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 00:56:14    39.736292  +3.68  -15.21c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 00:56:57   293.872303  +4.36  -15.47c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 00:57:50   185.006206  +4.22  -14.57c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 629 00:58:34   145.633472  +4.09  -14.99c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 630 00:59:19   277.943530  +4.32  -15.08c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 631 01:00:05  1113.213572  +4.73  -15.28c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 01:00:48    31.950564  +3.56  -15.22c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 633 01:01:30   426.507278  +4.46  -15.45c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 01:02:35    51.921071  +3.80  -15.09c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 635 01:03:14   175.198762  +4.17  -15.46c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 636 01:03:55   161.509362  +4.13  -15.40c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 637 01:05:05   172.729817  +4.17  -15.41c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 638 01:05:50   195.875827  +4.18  -15.31c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 639 01:06:56   194.602751  +4.20  -15.43c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 640 01:07:39    15.556513  +3.52  -15.35c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 01:08:23   171.555582  +4.13  -15.07c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 642 01:09:06   565.189473  +4.55  -15.40c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 643 01:09:54  1325.680551  +4.72  -15.47c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 01:10:40   625.892228  +4.56  -14.89c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 645 01:11:27    31.633596  +3.62  -15.37c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 646 01:12:39   103.745649  +3.92  -15.36c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 01:13:26     7.220597  +3.40  -15.24c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 648 01:14:35   117.866052  +4.00  -14.98c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 649 01:15:17    34.824787  +3.64  -15.26c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 650 01:16:04    81.004392  +3.85  -15.43c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 651 01:17:06    46.588539  +3.94  -15.21c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 01:17:48    30.470237  +3.65  -15.11c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 653 01:18:32    55.451688  +3.99  -15.51c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 01:19:37    59.245252  +4.04  -15.40c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 655 01:20:21    61.001382  +4.15  -15.35c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 01:21:03   115.943405  +4.28  -15.46c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 01:21:50   125.618792  +4.46  -15.47c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 01:22:31   237.757464  +4.65  -14.94c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 01:23:15   265.512910  +4.70  -15.47c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 01:24:19    94.021158  +4.29  -15.34c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 01:25:50   151.930611  +4.34  -14.96c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 662 01:26:34   158.665852  +4.42  -15.01c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 663 01:27:59   318.325657  +4.65  -15.40c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 664 01:29:05   285.603631  +4.63  -15.41c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 01:30:34   346.579413  +4.58  -15.30c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 666 01:31:41   423.049774  +4.51  -15.42c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 667 01:32:48   286.871400  +4.36  -15.12c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 668 01:33:33   285.330214  +4.59  -15.55c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 669 01:34:17   170.293246  +4.32  -15.30c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 01:35:03   597.015244  +4.80  -15.18c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 01:36:27   193.378501  +4.32  -14.94c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 672 01:37:35   275.198658  +4.58  -15.36c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 673 01:38:21    89.107079  +4.23  -15.07c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 674 01:39:09   486.494283  +4.63  -15.01c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 675 01:39:51   101.994346  +4.26  -14.96c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 676 01:40:33   301.492017  +4.56  -15.33c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 677 01:41:17  1031.809768  +4.84  -15.37c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 678 01:42:17   171.708928  +4.34  -14.91c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 679 01:43:00   444.477676  +4.65  -15.28c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 680 01:44:31   179.540849  +4.31  -15.45c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 681 01:45:23  1183.847447  +4.86  -15.11c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 01:46:18   893.856799  +4.84  -14.88c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 683 01:47:05   812.764168  +4.77  -15.04c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 684 01:47:51   267.792055  +4.67  -15.28c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 01:48:38  1644.159366  +4.87  -15.41c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 686 01:49:24   393.698211  +4.69  -15.36c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 687 01:50:11   589.382765  +4.84  -15.49c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 688 01:51:41   137.289848  +4.31  -15.21c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 01:52:46   437.223486  +4.77  -15.45c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 690 01:53:51   226.599056  +4.52  -15.48c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 691 01:54:44   404.610548  +4.60  -15.06c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 692 01:55:27   252.663737  +4.57  -15.13c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 693 01:57:11   133.431015  +4.31  -14.87c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 694 01:58:17   236.721311  +4.51  -15.26c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 01:59:21   289.466401  +4.58  -14.68c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 02:00:06   382.155390  +4.72  -15.28c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 697 02:00:53   331.151152  +4.50  -15.18c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 698 02:02:38   840.798982  +4.78  -14.76c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 02:03:46   864.356371  +4.81  -15.23c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 700 02:04:52   498.267389  +4.60  -14.97c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 701 02:05:41   501.471406  +4.60  -15.31c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 702 02:06:23   308.358442  +4.44  -15.35c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 02:07:31   620.363103  +4.62  -14.59c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 704 02:08:19   528.626749  +4.72  -15.18c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 705 02:09:04   948.818594  +4.81  -15.17c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 706 02:10:12   539.518020  +4.67  -14.77c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 707 02:10:55   964.170984  +4.79  -15.04c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 708 02:11:40   506.526132  +4.72  -15.48c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 709 02:12:28    67.053270  +4.14  -15.22c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 02:13:31  1304.941150  +4.87  -14.85c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 711 02:14:15   537.287604  +4.74  -15.42c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 02:15:00   132.889359  +4.38  -15.12c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 713 02:17:00    64.183513  +3.97  -15.26c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 02:18:11  1076.782542  +4.82  -15.18c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 715 02:19:21   281.661712  +4.41  -15.35c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 716 02:20:38   286.988919  +4.49  -15.36c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 717 02:21:26   235.982516  +4.42  -15.07c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 718 02:22:33   355.994751  +4.53  -14.94c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 719 02:23:40   175.557082  +4.30  -15.22c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 02:24:28    83.438172  +4.08  -15.30c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 721 02:25:46   211.122820  +4.55  -15.26c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 722 02:26:34   244.364068  +4.44  -14.92c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 02:27:26   869.738055  +4.77  -15.46c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 724 02:28:09   412.700400  +4.55  -15.17c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 02:28:57   758.729114  +4.69  -15.37c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 726 02:29:44   139.462929  +4.27  -15.37c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 727 02:30:52   336.497570  +4.44  -15.22c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 728 02:31:38   300.675879  +4.65  -15.35c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 729 02:32:25   272.602759  +4.50  -15.31c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 730 02:33:08   266.768894  +4.55  -15.46c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 731 02:33:59   680.192570  +4.63  -15.17c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 732 02:34:44   337.786999  +4.64  -15.33c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 733 02:35:55   174.057664  +4.42  -15.23c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 734 02:36:39   236.768052  +4.39  -15.28c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 02:37:46   112.856904  +4.31  -15.40c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 02:38:53   109.511424  +4.05  -15.32c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 02:40:01   122.366527  +4.35  -15.47c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 738 02:41:11   131.468081  +4.25  -15.21c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 02:42:19   227.274565  +4.47  -14.89c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 02:43:21   469.336826  +4.60  -14.94c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 02:44:05   255.047657  +4.35  -15.39c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 742 02:44:49   533.535419  +4.61  -15.36c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 743 02:46:25   707.197034  +4.69  -15.42c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 744 02:47:36   188.275250  +4.28  -15.19c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 745 02:48:29   209.469081  +4.44  -15.24c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 02:49:14   212.953650  +4.47  -15.20c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 02:50:24   655.954323  +4.61  -15.08c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 748 02:51:34   563.627480  +4.58  -14.68c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 749 02:52:51   231.899990  +4.30  -14.55c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 750 02:54:02   207.760365  +4.31  -15.30c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 02:54:47   290.877287  +4.48  -15.38c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 02:56:10   635.609585  +4.59  -14.90c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 753 02:56:59   706.313180  +4.60  -15.22c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 754 02:58:05   296.956850  +4.36  -14.77c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 755 02:58:52   339.409973  +4.47  -14.95c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 756 03:00:02   228.462221  +4.43  -15.34c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 757 03:04:24   117.716354  +4.20  -14.98c   -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 758 03:06:49   174.605801  +4.25  -14.97c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 759 03:08:03    68.111049  +3.93  -15.44c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 760 03:09:21   482.815460  +4.51  -14.94c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 03:10:32   785.995501  +4.64  -15.06c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 03:11:43  1037.740215  +4.70  -14.87c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 03:12:24   178.546578  +4.17  -15.21c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 764 03:13:06    94.738011  +4.17  -15.36c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 765 03:13:58   361.852663  +4.46  -15.35c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 03:14:41   112.249857  +4.14  -15.22c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 03:15:57   162.186730  +4.13  -15.48c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 768 03:16:46   102.099311  +4.03  -15.39c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 769 03:17:46   107.002735  +4.05  -14.74c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 03:18:54   359.136525  +4.55  -15.33c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 03:19:40    21.033399  +3.55  -15.12c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 772 03:20:26   222.501269  +4.23  -14.84c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 773 03:21:31    26.780091  +3.64  -15.37c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 774 03:22:17   757.636922  +4.64  -15.20c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 03:24:09   239.498719  +4.32  -14.69c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 03:25:14   247.045635  +4.32  -14.67c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 03:25:59    50.368571  +3.74  -15.16c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 778 03:27:34    45.447346  +3.81  -15.10c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 779 03:28:21   442.730117  +4.49  -15.39c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 780 03:29:06   148.685040  +4.11  -15.35c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 781 03:29:54  1063.209328  +4.69  -15.28c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 782 03:31:38   125.260985  +4.12  -14.67c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 03:33:01    96.892125  +3.96  -14.99c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 03:33:42   162.451195  +4.07  -15.31c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 03:40:47     6.549958  +3.38  -2.00    -0.0009          99
MOM has detected variational collapse, occupied orbitals have changed
iter: 786 03:42:06    82.935165  +3.99  -14.72c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 03:42:57   156.859994  +4.14  -15.12c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 03:44:10   229.301869  +4.28  -14.99c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 03:45:21   110.847157  +4.01  -15.43c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 03:46:37   130.620056  +4.05  -15.37c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 03:48:10    47.129939  +3.72  -15.25c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 03:50:08    73.251445  +3.80  -14.99c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 793 03:51:13    50.210369  +3.76  -15.52c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 03:52:49    28.695671  +3.67  -15.39c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 03:53:34    39.479251  +3.75  -15.26c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 03:54:44    20.768141  +3.73  -15.38c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 797 03:55:29   159.256605  +4.27  -15.31c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 798 03:56:41    20.592365  +3.55  -14.99c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 03:57:25    61.262904  +4.05  -15.19c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 03:58:30    79.028354  +3.96  -15.39c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 04:01:50    50.897163  +3.82  -15.31c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 04:04:51   883.620898  +4.72  -15.29c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 04:06:14   965.864012  +4.73  -14.96c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 04:09:59   620.519415  +4.59  -15.40c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 04:10:51   255.404199  +4.37  -15.41c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 04:11:37   180.724305  +4.19  -15.37c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 04:12:19    95.288265  +4.05  -15.40c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 04:13:05   680.264573  +4.64  -15.13c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 04:13:51    93.238399  +4.03  -15.36c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 04:14:37   327.971160  +4.42  -15.31c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 04:15:26    38.373406  +3.89  -15.06c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 04:16:13   251.135554  +4.32  -15.48c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 04:17:01   122.796815  +4.20  -15.44c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 04:17:49   219.502459  +4.36  -15.22c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 04:18:32    31.096681  +3.66  -15.27c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 04:19:40    93.733693  +4.08  -15.09c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 04:20:25   149.048434  +4.18  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 04:21:07    70.187075  +3.85  -15.24c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 04:21:52    71.124649  +3.98  -15.21c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 04:22:39    74.874085  +4.01  -14.92c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 04:23:24   150.406183  +4.24  -15.43c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 04:24:12  1193.947870  +4.89  -15.66c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 04:27:11    53.978249  +3.82  -15.25c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 04:28:08    82.198880  +3.95  -14.84c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 04:28:53   384.329990  +4.51  -15.38c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 04:30:03    39.900048  +3.72  -15.07c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 04:30:46   373.225523  +4.54  -15.23c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 04:31:29    70.178178  +3.83  -15.06c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 04:32:15   437.806544  +4.58  -15.30c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 04:32:59   357.703590  +4.48  -15.33c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 04:34:26   189.947341  +4.24  -15.27c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 832 04:35:29    76.387737  +3.89  -14.78c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 833 04:36:30  1172.706720  +4.78  -14.88c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 04:37:27    39.925861  +3.70  -15.18c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 04:38:27    72.860823  +3.95  -15.05c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 04:39:34    92.197243  +3.94  -15.29c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 04:41:01   859.875136  +4.72  -14.82c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 838 04:41:47  1043.691055  +4.72  -15.64c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 04:46:31   -10.153092  +2.47  -1.96    -0.0202          37
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 04:47:44   399.270056  +4.53  -14.94c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 04:48:52   365.953427  +4.45  -14.87c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 04:49:37   595.620457  +4.63  -15.24c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 04:50:26   396.045822  +4.46  -15.40c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 04:52:19   447.855173  +4.50  -15.01c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 04:54:44   199.224718  +4.15  -14.58c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 04:55:31     9.386984  +3.37  -15.16c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 04:56:35    31.614651  +3.61  -14.93c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 04:57:22   157.684452  +4.11  -15.27c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 04:58:43   202.201112  +4.23  -14.72c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 04:59:29   594.315947  +4.59  -15.52c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 05:01:52    57.554412  +3.77  -15.41c   +0.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 05:03:31    47.280147  +3.76  -14.82c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 853 05:04:32    60.565959  +3.85  -14.83c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 05:05:40   291.832153  +4.33  -15.19c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 855 05:06:25    92.839158  +3.96  -15.48c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 856 05:07:12   155.685052  +4.09  -15.09c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 05:07:58    57.918274  +3.83  -15.40c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 05:08:42    59.430517  +3.78  -15.25c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 05:09:27   905.654667  +4.77  -15.31c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 05:10:13    60.427271  +3.87  -15.14c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 05:11:08   126.663180  +4.09  -14.64c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 05:11:52    52.397877  +3.87  -15.19c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 05:12:38   165.323052  +4.07  -15.55c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 05:13:26     5.444030  +3.40  -15.05c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 05:14:09    68.669482  +3.84  -15.02c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 05:14:52   920.787721  +4.74  -15.52c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 05:16:13   395.079154  +4.47  -15.33c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 868 05:17:22   111.711820  +4.07  -14.32c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 869 05:18:13   165.119785  +4.16  -15.42c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 05:19:17   149.563866  +4.14  -14.52c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 05:20:04   165.978664  +4.09  -15.39c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 05:21:23   149.944838  +4.17  -14.91c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 05:22:24   177.907563  +4.21  -14.58c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 05:23:29   269.500790  +4.34  -15.37c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 05:24:37   191.559114  +4.26  -15.23c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 876 05:25:26   176.895957  +4.15  -15.31c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 05:26:08   330.992843  +4.42  -14.87c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 878 05:27:35    31.056516  +3.64  -15.45c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 05:28:39    40.109229  +3.72  -15.58c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 880 05:29:23    26.625542  +3.65  -15.36c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 881 05:30:10    52.960069  +3.80  -14.89c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 05:30:50    48.210801  +3.87  -15.34c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 05:32:22   121.608982  +4.05  -15.46c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 05:33:51   443.197279  +4.54  -15.51c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 05:34:58   232.965056  +4.30  -15.37c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 05:36:28    62.704228  +3.86  -15.55c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 887 05:37:14   314.291786  +4.45  -15.19c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 888 05:38:25   273.779844  +4.36  -15.47c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 889 05:39:30   439.411196  +4.58  -15.20c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 890 05:40:17   575.226497  +4.66  -15.40c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 05:41:03   338.675407  +4.45  -15.17c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 892 05:42:14   104.764566  +4.04  -15.00c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 893 05:43:23   270.792153  +4.39  -15.32c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 894 05:44:27     6.170311  +3.51  -15.47c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 895 05:45:34   387.397940  +4.51  -15.23c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 896 05:47:01    66.467795  +3.99  -15.31c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 05:48:54   239.371222  +4.36  -14.59c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 898 05:49:54   398.150775  +4.52  -14.95c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 899 05:50:45   721.659593  +4.69  -15.24c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 900 05:51:56   222.243859  +4.27  -15.38c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 05:53:05   307.319777  +4.39  -14.99c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 902 05:54:14   174.439447  +4.20  -14.98c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 903 05:55:04     9.659985  +3.45  -15.35c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 904 05:55:53   744.277619  +4.71  -15.37c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 905 05:56:41   172.157917  +4.28  -15.33c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 906 05:58:01   452.141053  +4.56  -15.13c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 907 05:59:30    44.388109  +3.71  -15.29c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 908 06:00:40   525.143870  +4.60  -15.31c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 909 06:01:20    56.846532  +3.81  -15.12c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 910 06:02:15    37.588913  +3.68  -14.84c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 911 06:02:56   164.795279  +4.16  -15.16c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 06:03:36   111.838187  +4.11  -15.28c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 06:04:15    51.201290  +3.75  -15.27c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 06:05:20    29.449905  +3.61  -15.37c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 915 06:05:59   108.257780  +4.00  -15.36c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 06:07:03    10.324362  +3.41  -15.28c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 917 06:07:46    92.683098  +3.92  -15.40c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 06:08:28    76.211946  +3.89  -15.38c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 06:09:11   881.557835  +4.74  -15.41c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 920 06:10:15   109.352194  +3.93  -15.04c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 921 06:11:43   565.582541  +4.61  -15.52c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 06:12:25    53.602805  +3.78  -15.41c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 06:14:00  1193.282962  +4.78  -15.49c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 924 06:14:45   414.318725  +4.47  -15.29c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 06:15:32   218.090771  +4.26  -15.52c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 926 06:17:00   102.103217  +3.97  -14.87c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 06:17:42   110.008700  +3.99  -15.49c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 928 06:18:25     7.817486  +3.37  -15.51c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 929 06:19:09    41.039584  +3.87  -15.11c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 930 06:20:19    22.942943  +3.62  -15.34c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 931 06:21:25     3.006436  +3.30  -15.41c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 932 06:22:12   304.930720  +4.39  -15.13c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 933 06:23:04     9.488709  +3.36  -14.82c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 06:24:08   183.083208  +4.18  -15.31c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 935 06:24:50   271.900737  +4.36  -15.15c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 936 06:25:56   192.667384  +4.22  -15.19c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 937 06:26:36    42.084802  +3.86  -15.15c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 938 06:27:44     5.082471  +3.34  -15.35c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 939 06:28:29    51.972689  +3.79  -15.07c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 940 06:29:12   213.496222  +4.24  -15.48c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 941 06:30:11    99.835952  +4.03  -14.88c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 06:30:55   263.804062  +4.36  -15.45c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 943 06:32:05    22.764657  +3.66  -15.35c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 944 06:32:46   258.622907  +4.32  -15.45c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 945 06:33:29   114.013715  +4.04  -15.38c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 946 06:34:11    23.199305  +3.69  -15.31c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 947 06:35:41    31.996217  +3.72  -15.47c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 948 06:36:24   105.025719  +3.97  -15.49c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 06:37:10   178.997410  +4.20  -15.18c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 06:37:55    19.083564  +3.52  -15.04c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 951 06:38:38    31.803089  +3.73  -15.24c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 952 06:39:24   323.939363  +4.40  -15.22c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 953 06:40:28   672.868677  +4.69  -15.05c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 954 06:41:56   473.063420  +4.57  -15.27c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 955 06:42:45    23.075265  +3.46  -15.46c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 956 06:43:53    62.557135  +3.85  -15.46c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 06:44:58    76.384958  +3.92  -15.15c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 958 06:45:41    41.344712  +3.69  -15.32c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 06:46:30    22.477535  +3.63  -15.05c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 960 06:47:37    27.644159  +3.61  -15.14c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 961 06:48:46    71.188181  +4.00  -15.20c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 06:49:53    19.701383  +3.60  -15.15c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 963 06:50:38    29.160184  +3.65  -15.28c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 964 06:51:26    42.196286  +3.67  -15.26c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 965 06:52:08    24.609813  +3.57  -15.39c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 966 06:52:50    -5.516295  +3.12  -15.28c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 967 06:53:57     2.385952  +3.36  -15.19c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 968 06:54:40    10.999043  +3.48  -15.06c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 969 06:55:31     3.726507  +3.38  -15.05c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 970 06:56:19    11.441406  +3.52  -15.40c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 971 06:57:04     9.998101  +3.46  -15.22c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 972 06:58:17    13.862116  +3.55  -14.82c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 06:59:06   764.459026  +4.77  -15.36c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 07:00:15    41.014218  +3.70  -15.33c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 975 07:00:59    78.661876  +3.95  -15.37c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 976 07:02:06    23.098255  +3.75  -15.02c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 977 07:02:52    64.050209  +3.89  -15.31c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 07:04:09    79.940094  +4.16  -15.09c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 979 07:05:37    51.391072  +4.08  -14.49c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 980 07:07:01    86.638785  +4.03  -14.98c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 981 07:07:49   531.039021  +4.63  -15.42c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 982 07:09:07   125.158057  +4.09  -15.30c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 983 07:10:41   114.018270  +4.10  -14.68c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 984 07:11:33   217.345127  +4.40  -15.41c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 985 07:12:38   724.650737  +4.76  -15.35c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 07:13:49  1116.299811  +4.92  -15.47c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 07:14:56    38.360982  +3.83  -15.38c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 988 07:16:27   197.128691  +4.28  -15.10c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 07:17:35   211.614041  +4.35  -15.36c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 990 07:18:19    48.445664  +3.82  -15.22c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 991 07:19:01   281.891322  +4.45  -15.23c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 07:19:46   717.839894  +4.73  -15.23c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 07:20:54   674.050007  +4.67  -15.34c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 994 07:21:52   701.469082  +4.68  -14.90c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 995 07:22:34    70.945510  +3.93  -14.90c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 996 07:23:41   871.969409  +4.76  -15.26c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 997 07:24:23    81.910626  +3.99  -15.17c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 07:25:08    36.436335  +3.65  -15.25c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 07:26:52    64.759332  +3.90  -14.79c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 07:27:37    40.129565  +3.79  -15.09c   +0.0000          13
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


