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

User:   aes38@compute-48
Date:   Sat Sep 30 00:48:54 2023
Arch:   x86_64
Pid:    138119
CWD:    /users/home/aes38/Rydberg/new/ethylene/Csic/thirdext
Python: 3.9.6
gpaw:   /users/home/aes38/new-gmf-gpaw/gpaw (f5d5d6d24c)
_gpaw:  /users/home/aes38/new-gmf-gpaw/build/lib.linux-x86_64-3.9/
        _gpaw.cpython-39-x86_64-linux-gnu.so (7a0e975e9f)
ase:    /hpcapps/source/ase_dev/ase (version 3.23.0b1-d4c62f2276)
numpy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/numpy (version 1.22.4)
scipy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/scipy (version 1.8.1)
libxc:  5.1.6
units:  Angstrom and eV
cores: 64
OpenMP: False
OMP_NUM_THREADS: 1

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

Initialize ...

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

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

Reference energy: -2105.216880  # eV

Spin-polarized calculation.
Magnetic moment: 0.000000

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

Symmetries present (total): 1

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

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

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

Occupation numbers: # Uniform distribution of occupation numbers 

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

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

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

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

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 181.20 MiB
  Calculator: 42.39 MiB
    Density: 11.28 MiB
      Arrays: 11.20 MiB
      Localized functions: 0.08 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 8.33 MiB
      Arrays: 8.33 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 22.77 MiB
      Arrays psit_nG: 19.69 MiB
      Eigensolver: 3.08 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

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

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

... initialized

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

Input parameters:
  occupations: {name: mom,
                numbers: [[1. 1. 1. ... 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.)

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

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

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 270.55 MiB
  Calculator: 42.39 MiB
    Density: 11.28 MiB
      Arrays: 11.20 MiB
      Localized functions: 0.08 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 8.33 MiB
      Arrays: 8.33 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 22.77 MiB
      Arrays psit_nG: 19.69 MiB
      Eigensolver: 3.08 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

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

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

... initialized

Initializing position-dependent things.

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

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

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

  Lengths:  20.000000  21.847084  22.456465
  Angles:   90.000000  90.000000  90.000000

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

Initial localization: ...
Pipek-Mezey localization started
Pipek-Mezey localization finished
Done
     iter     time        total  log10-change:  magmom         iter
                         energy  eigst   dens             inner loop
iter:   1 00:57:30   -21.543574  +0.24  -2.03    +0.0000         113
iter:   2 00:58:52   -21.683331  +1.55  -1.89    +0.0000          42
MOM has detected variational collapse, occupied orbitals have changed
iter:   3 01:00:40   -22.131283  -0.07  -15.04c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:   4 01:02:34   -22.088547  -0.14  -15.28c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:   5 01:03:39   -22.405341  -0.20  -15.20c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:   6 01:04:17   -22.033911  -0.30  -15.66c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:   7 01:05:22   -22.324672  -0.15  -15.21c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:   8 01:06:06   -23.772243  +0.12  -15.05c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:   9 01:08:56   -23.643237  -0.16  -15.19c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  10 01:09:39   -22.240114  +0.05  -15.44c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  11 01:10:40   -21.714674  -0.25  -15.03c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  12 01:13:30   -22.212306  -0.16  -15.15c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  13 01:14:11   -22.069309  -0.44  -15.06c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  14 01:14:52   -21.990322  -0.36  -15.39c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  15 01:21:39   -22.099960  -0.27  -2.27    +0.0000          94
MOM has detected variational collapse, occupied orbitals have changed
iter:  16 01:22:41   -22.224597  +0.08  -14.72c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  17 01:23:25   -21.661400  -0.02  -14.97c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  18 01:27:19   -22.209408  -0.41  -15.27c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  19 01:28:01   -21.352551  -0.02  -15.45c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  20 01:28:43   -22.353743  -0.27  -15.29c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  21 01:29:29   -22.901159  -0.22  -15.44c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  22 01:30:10   -21.602958  -0.03  -15.34c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  23 01:30:54   -23.308807  -0.14  -15.19c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  24 01:31:38   -23.573748  -0.14  -15.42c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  25 01:33:03   -21.735589  -0.15  -15.39c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  26 01:35:08   -22.128518  -0.08  -15.36c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  27 01:39:08   -21.415784  -0.01  -15.32c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  28 01:39:50   -21.728190  -0.04  -15.28c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  29 01:40:33   -22.010107  -0.09  -15.30c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  30 01:41:15   -21.743656  +0.04  -15.31c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  31 01:41:55   -22.024750  +0.32  -15.37c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  32 01:42:39   -22.665189  +0.40  -15.26c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  33 01:44:04   -21.687390  +0.18  -15.21c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  34 01:47:39   -22.779570  +0.40  -15.46c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  35 01:48:35   -22.892288  +0.63  -14.78c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  36 01:49:18   -22.174886  +0.52  -15.32c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  37 01:50:00   -21.551851  +0.47  -15.12c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  38 01:51:51   -22.245897  +0.38  -15.45c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  39 01:55:29   -23.429456  +0.60  -15.17c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  40 01:56:55   -21.705637  +0.70  -15.07c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  41 01:58:12   -21.733373  +0.71  -14.92c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  42 02:02:53   -22.676694  +0.13  -2.53    +0.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter:  43 02:03:52   -21.836801  +0.73  -14.92c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  44 02:05:26   -25.743078  +1.09  -15.08c   +0.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter:  45 02:06:07   -20.754946  +1.25  -15.31c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  46 02:09:00   -21.817571  +0.57  -15.27c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  47 02:09:46   -21.286460  +1.19  -15.39c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  48 02:10:52   -22.065141  +1.24  -15.27c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  49 02:11:56   -22.669042  +0.86  -15.10c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  50 02:13:22   -21.532593  +1.76  -15.28c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  51 02:15:33   -21.482787  +1.78  -15.08c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  52 02:20:03   -21.372575  +1.60  -2.58    -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter:  53 02:21:17   -20.915495  +2.18  -14.81c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  54 02:21:58   -20.671052  +2.43  -15.32c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  55 02:23:05   -18.905541  +2.75  -15.24c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  56 02:24:54   -17.135346  +2.94  -15.30c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  57 02:25:35    -4.463048  +3.60  -15.09c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  58 02:26:15    43.336128  +4.19  -15.30c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  59 02:26:52   121.971663  +4.51  -15.02c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  60 02:27:31   239.649403  +4.73  -15.24c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  61 02:28:11   385.167694  +4.87  -15.24c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  62 02:28:51   100.388571  +4.35  -15.15c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  63 02:29:39    38.167676  +4.07  -15.37c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  64 02:30:23   672.190652  +5.05  -15.44c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  65 02:31:41   -10.032985  +3.30  -14.80c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  66 02:32:22   115.392007  +4.36  -14.77c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  67 02:33:08  1240.071689  +5.19  -15.40c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  68 02:35:17   143.427330  +4.34  -14.53c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  69 02:36:30    83.794372  +4.16  -15.34c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  70 02:37:41    53.365565  +4.01  -14.84c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  71 02:38:29    74.333177  +4.13  -15.38c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  72 02:40:09   175.990762  +4.46  -14.85c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter:  73 02:41:16   737.702831  +5.06  -14.81c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  74 02:41:59   140.640529  +4.40  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  75 02:42:45    94.334288  +4.24  -15.38c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  76 02:43:32   490.991643  +4.82  -15.34c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  77 02:44:37   206.561309  +4.47  -14.90c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  78 02:45:41   534.886938  +4.79  -14.80c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  79 02:46:53   211.737492  +4.48  -14.69c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  80 02:47:58    32.693916  +3.84  -14.55c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  81 02:49:03    72.650464  +4.08  -14.89c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  82 02:50:00    72.750340  +4.06  -14.82c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  83 02:50:57    50.046149  +3.95  -14.88c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  84 02:51:41    89.302296  +4.14  -15.32c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  85 02:53:09    40.582183  +3.88  -14.55c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  86 02:54:37    31.122267  +3.79  -14.82c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  87 02:55:59    10.747318  +3.58  -14.96c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  88 02:57:13    32.950398  +3.85  -14.87c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  89 02:58:47   136.546730  +4.31  -14.77c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter:  90 02:59:38    92.778715  +4.13  -15.19c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  91 03:00:41    11.032084  +3.42  -14.66c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  92 03:02:07   123.515686  +4.29  -14.78c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter:  93 03:03:24    -9.118337  +3.07  -14.80c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  94 03:04:33    37.216902  +3.89  -14.74c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  95 03:05:30    41.823879  +3.95  -15.32c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter:  96 03:06:45    88.252082  +4.16  -15.08c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  97 03:08:06    65.099526  +4.04  -14.80c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter:  98 03:09:18    19.154101  +3.67  -14.77c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  99 03:10:11   118.733997  +4.29  -15.43c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 100 03:11:41    45.317436  +3.93  -14.72c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 101 03:13:00    11.691757  +3.66  -15.12c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 102 03:14:04     1.934618  +3.33  -15.26c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 103 03:15:33    15.424911  +3.58  -14.78c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 104 03:16:40   154.490133  +4.37  -14.76c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 105 03:17:30    73.944794  +4.09  -15.43c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 106 03:18:48    -4.586902  +3.13  -15.01c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 107 03:20:10    12.880433  +3.60  -14.90c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 108 03:21:21     6.657492  +3.52  -15.11c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 109 03:22:19    16.759912  +3.62  -15.41c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 110 03:24:07   125.273902  +4.26  -14.77c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 111 03:25:19    68.601157  +4.07  -15.02c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 03:26:48   122.624540  +4.24  -14.90c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 113 03:27:55    40.213405  +3.84  -15.28c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 114 03:29:01     8.759398  +3.33  -15.43c   +0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 03:29:47    46.875302  +3.91  -15.28c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 03:30:39    29.012079  +3.77  -15.34c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 117 03:31:46   142.739204  +4.32  -14.62c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 118 03:32:55    42.585458  +3.91  -14.49c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 03:33:59    51.489643  +3.96  -14.45c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 03:35:03   134.395114  +4.27  -14.94c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 121 03:36:47    43.378806  +3.84  -14.96c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 122 03:37:53    95.291960  +4.15  -15.25c   +0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 03:39:05   287.538883  +4.56  -14.35c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 124 03:40:20    37.860854  +3.82  -14.56c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 03:41:23    35.350314  +3.79  -14.85c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 03:42:11   144.800924  +4.29  -15.43c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 03:43:31    29.742095  +3.75  -14.84c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 128 03:45:02    95.253809  +4.14  -14.53c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 129 03:47:02   175.159650  +4.37  -15.26c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 130 03:48:35   154.313167  +4.30  -14.90c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 131 03:49:40   223.283287  +4.47  -14.77c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 132 03:50:36  1041.841371  +5.10  -15.17c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 133 03:51:41   204.425351  +4.47  -14.69c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 134 03:53:52   312.789168  +4.61  -15.28c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 135 03:55:55   154.381697  +4.33  -14.82c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 136 03:57:08     1.616999  +3.36  -14.53c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 137 03:58:38   523.357863  +4.80  -14.66c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 138 04:00:09     9.437872  +3.45  -14.78c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 139 04:01:35   776.111729  +4.97  -14.55c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 140 04:02:40   200.416839  +4.44  -14.86c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 141 04:04:03    38.211959  +3.83  -14.96c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 142 04:05:49   892.166360  +4.98  -14.86c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 143 04:07:59    34.676687  +3.76  -14.67c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 144 04:09:25     9.170998  +3.54  -14.80c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 145 04:10:57     4.565794  +3.51  -15.05c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 146 04:12:04    28.071044  +3.76  -15.20c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 147 04:13:12    12.090167  +3.59  -15.22c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 148 04:14:40     1.165414  +3.43  -15.40c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 149 04:15:53   -10.812703  +3.04  -15.30c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 150 04:16:38     1.045126  +3.36  -15.30c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 151 04:19:33   110.839791  +4.17  -15.03c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 152 04:22:01   140.624215  +4.26  -14.84c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 153 04:25:02   229.104203  +4.45  -15.48c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 154 04:26:11   120.805390  +4.22  -14.58c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 155 04:27:05   255.910608  +4.49  -14.98c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 156 04:28:00   492.496194  +4.72  -14.90c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 157 04:28:45   241.286208  +4.44  -15.26c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 158 04:29:26   504.768573  +4.69  -15.37c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 159 04:30:27   167.361668  +4.29  -14.94c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 160 04:31:11   774.977004  +4.84  -15.38c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 161 04:31:57   343.303695  +4.53  -15.19c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 162 04:32:42  1610.265131  +4.96  -14.98c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 163 04:33:41    86.617269  +3.95  -15.00c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 164 04:34:29    22.963836  +3.57  -15.16c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 165 04:35:29   518.187348  +4.61  -14.71c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 166 04:36:24   242.064764  +4.33  -15.27c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 167 04:38:48    12.720525  +3.30  -14.79c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 04:39:43    55.273631  +3.75  -15.30c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 169 04:40:28    12.907670  +3.25  -15.17c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 170 04:41:24   168.126881  +4.19  -15.17c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 171 04:42:31    29.826580  +3.51  -15.06c   +0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 172 04:43:27   359.518165  +4.47  -14.98c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 173 04:45:15    68.767822  +3.81  -14.80c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 174 04:46:48    56.221440  +3.81  -15.01c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 175 04:47:44    63.112434  +3.84  -15.40c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 176 04:49:02   127.907123  +4.11  -15.12c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 177 04:50:09    38.808542  +3.70  -14.81c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 178 04:50:57    38.074608  +3.67  -15.21c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 179 04:52:18   440.528187  +4.58  -14.76c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 180 04:53:39   255.592190  +4.37  -14.75c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 181 04:55:06  1271.331716  +4.96  -15.34c   +0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 182 04:56:14   238.423706  +4.35  -15.12c   -0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 183 04:57:10   195.176703  +4.29  -15.12c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 184 04:58:30   427.802570  +4.60  -14.77c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 185 04:59:49    20.432117  +3.47  -14.68c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 186 05:00:39   621.490176  +4.74  -15.25c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 187 05:05:20   -14.098655  +2.56  -2.13    +0.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 188 05:10:25     5.307622  +2.95  -1.94    -0.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 189 05:11:47     0.793363  +3.22  -14.69c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 190 05:12:51     5.163781  +3.36  -15.16c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 191 05:14:14   232.845663  +4.37  -14.73c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 192 05:14:55   399.790507  +4.60  -15.40c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 193 05:16:06   755.130434  +4.84  -15.46c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 194 05:18:12    94.725841  +4.03  -14.99c   +0.0000          40
MOM has detected variational collapse, occupied orbitals have changed
iter: 195 05:19:45   226.618554  +4.37  -14.92c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 196 05:22:15   107.931024  +4.07  -14.77c   +0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 197 05:24:43   219.975783  +4.36  -14.77c   +0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 198 05:25:38    61.593553  +3.84  -15.25c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 199 05:26:56   127.684954  +4.14  -15.35c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 200 05:28:05    61.594635  +3.87  -14.96c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 201 05:29:04   344.299740  +4.54  -14.67c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 202 05:30:14   478.283596  +4.66  -14.61c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 203 05:31:08   988.203685  +4.89  -15.28c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 204 05:32:24   737.391303  +4.77  -15.26c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 205 05:33:31    19.634181  +3.50  -14.65c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 206 05:34:31   261.023651  +4.38  -15.19c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 207 05:35:52  1444.621220  +4.94  -15.33c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 208 05:37:15   142.313644  +4.12  -14.93c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 209 05:38:40   501.167355  +4.61  -14.68c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 210 05:39:51   145.632755  +4.15  -14.63c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 211 05:41:08    27.545944  +3.59  -14.89c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 212 05:42:31   267.307290  +4.35  -14.80c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 213 05:44:04  1007.994065  +4.81  -14.61c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 214 05:44:48   181.375144  +4.20  -15.36c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 215 05:45:46   212.127030  +4.27  -14.53c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 216 05:46:52   292.001394  +4.38  -14.77c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 217 05:48:07   124.276872  +4.08  -14.92c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 218 05:50:03   669.187056  +4.68  -14.86c   -0.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 219 05:51:23   223.945556  +4.26  -15.04c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 220 05:52:35    82.846754  +3.90  -14.57c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 221 05:53:29   271.532641  +4.36  -14.73c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 222 05:54:29    21.678108  +3.50  -14.48c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 223 05:55:40   386.890256  +4.50  -14.94c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 224 05:56:37   217.963084  +4.28  -14.93c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 225 05:57:55   126.647481  +4.06  -14.73c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 226 05:59:14   210.248918  +4.28  -14.61c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 227 06:00:24    43.608537  +3.72  -14.67c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 228 06:01:24    50.205340  +3.76  -14.73c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 229 06:04:23   117.826244  +4.05  -14.78c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 230 06:05:52    20.248040  +3.45  -14.85c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 231 06:07:14    51.214152  +3.76  -14.36c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 232 06:08:04    -7.612916  +2.63  -15.20c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 233 06:09:02    55.956768  +3.83  -14.86c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 234 06:10:13    52.532098  +3.81  -15.19c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 235 06:11:38    38.069113  +3.72  -14.90c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 236 06:13:08    62.305983  +3.88  -15.26c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 237 06:15:41    15.727821  +3.51  -15.50c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 238 06:16:34    47.049474  +3.81  -14.81c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 239 06:18:09   155.970705  +4.19  -15.07c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 240 06:19:42    80.917187  +3.94  -14.85c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 241 06:20:40   145.497714  +4.16  -14.77c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 242 06:22:03    46.351107  +3.71  -15.19c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 243 06:23:58   194.503731  +4.25  -14.75c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 244 06:27:12    12.196820  +3.44  -15.19c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 245 06:28:05    73.649768  +3.93  -15.27c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 246 06:30:36    40.795310  +3.69  -14.76c   +0.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 247 06:31:50    -5.543989  +3.12  -14.67c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 248 06:33:04   724.680076  +4.76  -14.72c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 249 06:34:19    72.036213  +3.90  -15.39c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 250 06:35:46    48.850942  +3.81  -14.95c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 251 06:36:44    25.722048  +3.63  -15.37c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 06:38:21    10.803601  +3.47  -14.77c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 253 06:39:09   159.226200  +4.20  -15.10c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 254 06:40:34   912.744836  +4.81  -15.27c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 06:41:52    46.041207  +3.76  -14.91c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 256 06:42:51    11.194952  +3.45  -14.60c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 257 06:43:47    73.379038  +3.93  -14.70c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 258 06:44:30   745.003567  +4.76  -15.49c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 06:45:38   755.488910  +4.76  -14.64c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 260 06:46:39   584.511727  +4.66  -14.73c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 261 06:47:24  1629.946216  +4.89  -15.46c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 06:48:16   241.737916  +4.29  -15.15c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 263 06:49:22   143.480742  +4.09  -14.96c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 264 06:50:31   141.141185  +4.09  -14.82c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 265 06:51:43   526.537929  +4.57  -14.92c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 266 06:52:40   404.308948  +4.46  -14.59c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 267 06:53:39   147.062377  +4.10  -14.77c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 268 06:54:22  1125.433619  +4.77  -14.91c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 269 06:58:57    24.557683  +3.53  -1.88    -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 270 07:00:43   291.230727  +4.32  -14.75c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 271 07:01:30   179.588515  +4.15  -15.40c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 272 07:02:24    82.238672  +3.86  -15.12c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 273 07:03:06    19.724573  +3.46  -15.29c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 274 07:03:55    11.344589  +3.32  -15.45c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 275 07:05:03     9.301381  +3.31  -15.01c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 276 07:06:15   408.067852  +4.45  -15.27c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 277 07:07:23   109.791027  +3.97  -14.46c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 278 07:08:33   633.917352  +4.59  -15.47c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 279 07:09:41   659.397218  +4.61  -14.85c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 280 07:10:52   156.128797  +4.08  -15.26c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 281 07:11:59    15.643254  +3.41  -14.67c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 282 07:12:42    -7.507222  +2.94  -15.44c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 283 07:13:27    16.036395  +3.44  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 07:14:13   296.152409  +4.38  -15.35c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 07:14:53    15.780163  +3.44  -15.25c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 07:15:53   963.733384  +4.82  -14.61c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 287 07:16:45   151.403110  +4.18  -14.88c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 07:17:43   219.512905  +4.31  -14.61c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 289 07:18:38    42.860217  +3.74  -14.91c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 290 07:19:36    49.983320  +3.81  -14.79c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 291 07:20:17    33.939611  +3.67  -15.19c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 292 07:22:23     6.665619  +3.41  -15.41c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 293 07:23:37    96.859560  +4.02  -14.99c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 294 07:25:11    17.844353  +3.50  -14.61c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 07:25:58    24.022248  +3.56  -15.46c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 07:27:09    -9.448163  +2.98  -15.31c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 297 07:27:50   131.789948  +4.12  -15.28c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 07:29:32   618.911846  +4.70  -15.32c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 07:30:35   236.163736  +4.35  -15.03c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 07:31:27   379.558393  +4.51  -15.41c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 07:32:36   -18.656410  +1.92  -14.44c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 07:33:34   -14.724275  +2.74  -14.64c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 303 07:34:38     1.191680  +3.33  -15.26c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 07:35:22   -17.158835  +2.32  -15.51c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 07:36:06    16.566300  +3.53  -15.37c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 07:37:38    33.056792  +3.66  -15.30c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 307 07:38:51   400.911655  +4.53  -15.29c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 308 07:40:17    89.162231  +3.97  -14.82c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 309 07:41:13   416.070766  +4.59  -15.22c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 310 07:42:16   226.475293  +4.38  -14.92c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 311 07:43:44   124.069194  +4.17  -14.77c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 07:44:41   167.493672  +4.27  -14.79c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 313 07:45:45   135.067686  +4.17  -14.53c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 314 07:46:32   161.502426  +4.24  -15.28c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 315 07:47:34   116.905507  +4.10  -14.95c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 316 07:48:35    20.458185  +3.52  -15.23c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 07:49:51   100.209095  +4.03  -15.02c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 318 07:51:47   291.182299  +4.44  -14.48c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 319 07:53:05   392.032744  +4.57  -14.79c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 320 07:54:59    13.882679  +3.36  -14.58c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 321 07:56:36    19.601524  +3.48  -14.74c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 322 07:58:13    30.615306  +3.57  -15.20c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 323 08:00:38    77.681007  +3.96  -15.04c   +0.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 324 08:01:50    96.087470  +4.05  -14.69c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 325 08:04:23   346.476280  +4.51  -15.29c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 326 08:05:08    48.292124  +3.79  -15.47c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 327 08:06:20    95.032137  +4.02  -15.16c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 328 08:07:41    81.880083  +3.97  -14.62c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 329 08:08:57    53.261190  +3.80  -15.34c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 330 08:10:01    22.220983  +3.59  -14.79c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 331 08:12:47   368.980857  +4.52  -14.70c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 08:15:10    45.611730  +3.77  -14.73c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 333 08:17:16   -17.951144  +2.51  -15.30c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 334 08:20:06   -17.044711  +2.30  -15.33c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 335 08:20:59    77.971494  +3.93  -15.15c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 08:21:43    49.350708  +3.82  -15.43c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 337 08:22:30     6.109631  +3.33  -15.42c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 338 08:23:43    19.669529  +3.57  -15.03c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 08:24:50    19.455524  +3.55  -15.38c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 340 08:25:45    15.701103  +3.46  -15.34c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 341 08:27:28    69.808517  +3.90  -14.69c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 342 08:31:14    76.434091  +3.95  -14.95c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 343 08:32:24    20.783059  +3.60  -15.14c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 344 08:33:25    96.438871  +4.03  -15.37c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 345 08:34:35    19.370688  +3.58  -15.28c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 346 08:35:19    -5.343811  +3.24  -15.19c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 347 08:36:00    26.174616  +3.66  -15.11c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 08:37:52    -2.419602  +3.22  -14.90c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 349 08:38:35    -7.703323  +3.15  -15.47c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 08:39:41   157.478980  +4.22  -15.47c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 08:40:25    25.184938  +3.64  -15.03c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 08:41:28   414.597112  +4.58  -15.28c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 353 08:42:07    22.193731  +3.61  -15.11c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 08:42:50     3.065711  +3.36  -15.17c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 355 08:44:00   140.051959  +4.17  -15.29c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 356 08:44:41   598.399854  +4.72  -14.99c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 357 08:45:58    55.545451  +3.86  -14.83c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 08:46:39   304.955744  +4.49  -14.99c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 08:48:05    -3.034388  +3.20  -15.30c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 08:49:27    16.880200  +3.58  -14.89c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 361 08:50:08    24.100242  +3.65  -15.46c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 08:50:58    -6.329103  +3.19  -15.12c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 363 08:52:44    -0.206343  +3.34  -15.16c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 364 08:53:31    -0.711266  +3.32  -15.31c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 365 08:54:18   -13.514540  +2.91  -15.12c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 366 08:56:31   116.837830  +4.13  -15.31c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 367 08:57:41    72.128690  +3.94  -15.35c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 368 08:58:52     3.507697  +3.38  -15.54c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 369 09:01:22     6.960394  +3.43  -15.30c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 370 09:02:07    -2.533798  +3.30  -15.41c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 371 09:03:15   -12.215290  +2.95  -15.27c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 372 09:04:41     8.130967  +3.48  -15.34c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 09:07:29    -2.576094  +3.25  -15.42c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 374 09:10:33     3.981859  +3.35  -14.62c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 375 09:11:23    85.641191  +4.01  -15.12c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 09:12:24    -2.545879  +3.22  -14.64c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 377 09:13:48   336.541344  +4.50  -15.34c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 09:15:00   867.898112  +4.86  -15.16c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 09:15:59     3.606299  +3.41  -14.77c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 380 09:17:24   815.415309  +4.87  -14.95c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 09:18:25     6.167261  +3.46  -14.97c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 382 09:19:53     5.879109  +3.46  -15.03c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 383 09:23:29    85.265823  +4.04  -15.24c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 384 09:25:20   -14.497489  +2.88  -15.31c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 09:26:04    10.259056  +3.54  -15.10c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 386 09:27:09     4.694192  +3.45  -15.39c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 09:28:47    67.273775  +3.99  -14.80c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 388 09:29:25    47.954361  +3.87  -15.32c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 389 09:30:07    30.634416  +3.76  -15.61c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 09:32:15   132.015672  +4.25  -15.34c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 391 09:33:01    64.613644  +3.99  -15.27c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 392 09:34:48    35.210495  +3.78  -15.42c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 393 09:35:29   342.923762  +4.56  -15.43c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 394 09:36:15    23.591160  +3.66  -15.06c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 09:36:59    65.968537  +3.95  -15.28c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 396 09:37:56   114.809704  +4.13  -14.73c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 397 09:39:33   250.581144  +4.41  -15.36c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 398 09:44:30     8.359515  +3.21  -1.95    -0.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 09:46:04   427.728524  +4.62  -14.81c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 400 09:47:11     2.754862  +3.33  -14.70c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 401 09:48:19    26.978080  +3.69  -15.04c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 09:49:05     3.100477  +3.36  -15.20c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 09:49:48   528.887395  +4.68  -15.14c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 09:50:34    25.289339  +3.64  -15.09c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 09:51:14    16.048564  +3.51  -15.51c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 09:52:17    50.658044  +3.80  -15.38c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 09:53:20    36.111894  +3.70  -15.31c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 09:54:02   500.221172  +4.64  -15.16c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 409 09:54:44    23.227181  +3.59  -15.68c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 410 09:55:24    59.756599  +3.87  -15.13c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 411 09:56:30    21.244972  +3.59  -15.29c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 412 09:59:21    56.764054  +3.84  -15.49c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 413 10:00:44     0.669943  +3.29  -15.31c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 10:01:27    57.886854  +3.85  -15.14c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 415 10:02:27    37.737195  +3.73  -15.30c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 416 10:03:11   504.247579  +4.65  -15.48c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 10:04:20    45.522329  +3.79  -15.28c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 418 10:05:01    52.467566  +3.86  -15.53c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 419 10:06:05    21.562371  +3.61  -15.13c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 10:06:47    16.169084  +3.55  -15.33c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 10:07:31     8.265607  +3.45  -15.46c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 10:08:15    30.429431  +3.69  -15.50c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 423 10:08:58   407.075456  +4.60  -15.43c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 10:09:41    32.416800  +3.71  -15.34c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 425 10:10:19    24.145189  +3.65  -15.16c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 10:12:11    10.631880  +3.51  -15.24c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 10:12:53    22.976845  +3.66  -15.25c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 428 10:13:32    69.586757  +3.96  -15.03c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 10:14:13    85.564950  +4.03  -15.25c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 10:14:58    42.250930  +3.80  -15.43c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 10:15:38    -1.608700  +3.29  -15.42c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 432 10:16:17    39.818696  +3.76  -15.35c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 10:16:55    40.355088  +3.77  -15.18c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 434 10:17:36    15.660366  +3.54  -15.43c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 10:18:14    61.708603  +3.89  -15.22c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 10:19:15    23.321142  +3.62  -15.01c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 10:19:56    19.431591  +3.58  -14.96c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 438 10:20:35    30.618611  +3.68  -15.47c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 439 10:21:13    15.099469  +3.52  -15.46c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 10:21:56    27.593852  +3.64  -15.18c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 441 10:22:40    10.689822  +3.48  -15.12c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 442 10:23:21    75.395739  +3.95  -15.28c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 443 10:24:46    99.969406  +4.06  -15.15c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 10:25:45    -5.452998  +3.14  -15.04c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 10:26:28   -14.656948  +2.72  -15.42c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 446 10:27:12     2.777068  +3.35  -15.38c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 447 10:27:50  1251.649468  +4.92  -15.24c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 448 10:28:45  1130.294103  +4.89  -14.76c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 449 10:30:19    76.935113  +3.92  -15.46c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 10:31:01    29.791884  +3.61  -15.28c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 10:32:10    63.515876  +3.88  -14.86c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 10:33:10   365.002480  +4.51  -14.68c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 453 10:34:21   852.427328  +4.85  -15.34c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 10:35:18   478.738357  +4.62  -14.83c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 455 10:36:14  1078.501670  +4.84  -14.62c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 456 10:40:40    -2.538695  +3.14  -1.88    -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 457 10:41:38    61.036486  +3.84  -14.87c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 458 10:42:19    45.845142  +3.76  -15.21c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 459 10:45:37     4.288316  +3.33  -15.09c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 460 10:46:25    30.002080  +3.66  -15.42c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 10:47:03    53.865801  +3.82  -15.27c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 10:47:45   -10.521242  +2.92  -15.46c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 463 10:48:27   144.692177  +4.17  -15.28c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 464 10:50:10   368.330705  +4.51  -15.24c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 10:51:16    10.632396  +3.43  -14.99c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 466 10:52:25    -2.900528  +3.21  -15.19c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 10:53:53    15.784704  +3.52  -15.42c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 10:54:38    -5.619360  +3.22  -15.33c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 10:55:20   -16.575105  +2.60  -15.40c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 470 10:56:57    -5.150345  +3.15  -14.96c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 471 10:57:40   118.596610  +4.11  -15.33c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 10:58:39    24.908111  +3.65  -14.64c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 10:59:22    22.831370  +3.64  -15.41c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 11:00:01   255.220240  +4.40  -15.26c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 11:01:17   -11.019780  +2.88  -14.87c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 11:02:25   121.064579  +4.14  -15.24c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 477 11:03:10   176.322185  +4.27  -15.37c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 11:03:52    17.330360  +3.56  -15.46c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 11:04:34    29.323073  +3.68  -15.39c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 11:05:18   272.217575  +4.41  -15.33c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 481 11:06:02   124.295753  +4.11  -15.07c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 482 11:06:55   399.327626  +4.52  -14.71c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 483 11:07:38   128.379886  +4.09  -15.00c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 484 11:08:27    70.859543  +3.88  -14.78c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 11:10:15    21.199573  +3.51  -15.26c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 486 11:11:28    20.885734  +3.51  -15.28c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 487 11:12:15   262.915035  +4.32  -15.36c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 488 11:13:19   397.093079  +4.47  -14.70c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 489 11:14:46    32.413222  +3.61  -14.96c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 11:15:53   142.005395  +4.08  -15.42c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 491 11:16:39    30.557129  +3.60  -15.05c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 11:17:41    49.320635  +3.73  -15.36c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 493 11:20:34   -15.397839  +2.26  -15.34c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 494 11:22:05    21.384689  +3.51  -15.34c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 495 11:24:11   132.205374  +4.06  -15.52c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 496 11:25:34     8.350687  +3.36  -15.34c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 11:26:42   633.871744  +4.64  -15.26c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 11:27:55    58.847810  +3.79  -15.23c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 11:29:40    99.104694  +3.97  -14.89c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 500 11:30:42    16.890190  +3.49  -15.25c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 11:31:25   727.784050  +4.71  -15.30c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 11:32:07    26.627990  +3.59  -15.23c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 11:33:11    73.625928  +3.89  -15.07c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 504 11:33:52  1034.980280  +4.85  -15.24c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 505 11:34:33    98.120865  +4.01  -15.29c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 506 11:36:08   194.420079  +4.25  -15.32c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 507 11:37:15    34.941465  +3.68  -14.72c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 11:38:02    86.610725  +3.97  -15.27c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 509 11:39:11   401.092928  +4.53  -15.45c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 510 11:39:58    24.342170  +3.58  -15.15c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 511 11:40:54   897.026095  +4.76  -14.54c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 512 11:44:24   443.749010  +4.54  -14.78c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 513 11:46:27   192.380702  +4.23  -15.24c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 11:47:40    62.707750  +3.83  -14.84c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 515 11:49:14   180.840588  +4.21  -14.49c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 11:50:10   250.393100  +4.35  -14.65c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 517 11:50:53   256.582724  +4.34  -15.32c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 11:52:03   137.624146  +4.10  -15.46c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 11:52:44   124.823002  +4.07  -15.40c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 520 11:53:27   289.973541  +4.38  -15.21c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 521 11:54:10   319.351018  +4.40  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 522 11:55:03   412.053511  +4.48  -14.69c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 523 11:56:09   315.015169  +4.38  -15.46c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 524 11:56:55   187.745015  +4.19  -15.19c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 525 11:57:37   518.972705  +4.54  -15.40c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 526 11:58:56   295.427138  +4.35  -14.65c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 11:59:37   651.231940  +4.64  -15.42c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 12:00:18    71.012127  +3.84  -15.47c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 12:01:20   515.346092  +4.57  -15.27c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 12:02:00   516.277161  +4.56  -15.27c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 12:03:31   319.810421  +4.37  -15.19c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 12:05:03     2.915340  +3.18  -15.14c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 12:06:28   170.308301  +4.15  -14.83c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 534 12:07:15   110.109486  +3.98  -15.27c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 535 12:08:32   148.876201  +4.11  -14.50c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 536 12:09:12   350.770192  +4.41  -15.08c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 537 12:09:57   782.082440  +4.67  -15.41c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 538 12:11:15   177.351996  +4.15  -14.85c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 12:11:56   965.446353  +4.74  -15.41c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 540 12:12:38   241.746217  +4.26  -15.47c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 541 12:13:18    34.956582  +3.62  -15.18c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 542 12:13:59   322.179610  +4.36  -15.23c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 543 12:15:02   139.080678  +4.06  -15.07c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 544 12:16:17    55.152854  +3.70  -15.52c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 545 12:18:43   211.880059  +4.21  -14.40c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 546 12:19:42    17.302232  +3.42  -14.58c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 547 12:21:27   579.395199  +4.57  -14.79c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 548 12:22:46    92.963311  +3.90  -15.01c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 549 12:23:30  1061.892903  +4.73  -15.25c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 12:24:12    35.667183  +3.60  -15.38c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 551 12:25:10    25.386410  +3.51  -14.90c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 552 12:25:50   143.774830  +4.06  -15.22c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 553 12:26:56    37.228005  +3.63  -15.32c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 12:28:23   -18.020033  +2.40  -15.12c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 555 12:29:09    17.918981  +3.49  -15.49c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 12:29:48     8.744448  +3.37  -15.46c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 12:30:25   162.201001  +4.15  -15.28c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 12:31:06   304.353020  +4.37  -15.21c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 559 12:32:08   500.119753  +4.56  -15.17c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 560 12:32:56   106.872565  +3.99  -15.20c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 12:33:36    -0.422057  +3.22  -15.41c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 562 12:34:21    14.449634  +3.47  -15.15c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 12:35:00    42.667549  +3.72  -15.34c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 12:35:42    -0.312930  +3.23  -15.07c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 565 12:36:25    -4.393179  +3.15  -15.20c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 566 12:37:08    85.491341  +3.96  -15.16c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 12:38:56    -0.623919  +3.23  -15.47c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 568 12:39:37    10.554733  +3.45  -15.23c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 12:40:22    25.789900  +3.60  -15.27c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 570 12:41:05    -6.211689  +3.08  -15.55c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 12:42:23    56.748075  +3.79  -14.65c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 12:43:28   106.095921  +4.00  -15.25c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 12:44:09   285.079857  +4.35  -15.21c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 12:44:49   309.669587  +4.39  -15.12c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 575 12:45:27   265.813621  +4.34  -15.21c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 576 12:47:05   160.449441  +4.13  -15.46c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 577 12:48:39    15.438377  +3.33  -14.78c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 12:50:18   301.298526  +4.38  -14.69c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 579 12:51:27   147.872322  +4.11  -14.65c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 580 12:52:36   549.929385  +4.58  -14.69c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 581 12:53:19   221.495635  +4.23  -15.14c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 582 12:54:44   200.941572  +4.19  -14.73c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 12:55:40    47.843482  +3.69  -15.31c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 584 12:56:49    -6.503040  +2.98  -14.56c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 12:57:30    29.943080  +3.59  -14.93c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 12:58:14    34.617411  +3.62  -15.31c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 12:59:57    89.828004  +3.90  -15.08c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 13:01:08    30.294437  +3.56  -14.71c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 13:02:39   130.461313  +4.05  -15.12c   -0.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 13:03:51   649.944307  +4.63  -14.95c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 591 13:04:44    42.950204  +3.68  -14.68c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 592 13:05:50   206.696411  +4.22  -15.15c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 13:07:02   430.901686  +4.50  -15.18c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 594 13:08:02    33.695288  +3.58  -14.67c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 595 13:08:52    11.883212  +3.41  -15.30c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 596 13:09:54   462.823242  +4.54  -14.91c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 597 13:10:52    33.203635  +3.64  -15.27c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 598 13:11:48   141.928137  +4.12  -14.64c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 599 13:12:30    37.793905  +3.69  -15.28c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 600 13:13:55     2.988661  +3.28  -15.23c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 601 13:15:23    99.914416  +3.99  -14.88c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 602 13:16:14   -12.605947  +2.85  -14.74c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 603 13:17:28     1.413713  +3.30  -15.25c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 604 13:18:46     2.774352  +3.31  -14.77c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 605 13:19:43     3.816622  +3.36  -15.35c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 606 13:20:30   121.167172  +4.07  -14.69c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 607 13:21:13   140.179126  +4.13  -15.44c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 608 13:21:52    29.633493  +3.63  -15.30c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 13:22:42    23.958752  +3.58  -15.15c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 610 13:23:23     9.899896  +3.44  -15.46c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 611 13:24:48   272.367002  +4.37  -15.27c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 13:25:41   315.238873  +4.41  -15.35c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 613 13:26:27   338.546746  +4.44  -15.22c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 614 13:27:11   103.337085  +4.01  -15.17c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 615 13:27:58    38.500784  +3.70  -15.17c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 616 13:29:00   322.874154  +4.44  -14.53c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 617 13:30:54    94.844350  +3.97  -15.43c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 618 13:32:14    45.607642  +3.73  -14.69c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 13:32:56    76.868424  +3.91  -15.29c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 620 13:33:39    13.625597  +3.46  -15.09c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 621 13:34:24    37.755938  +3.70  -15.30c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 622 13:35:10   182.172969  +4.22  -15.11c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 13:35:54    57.276834  +3.82  -14.93c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 13:37:06   -12.504400  +2.27  -15.27c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 625 13:38:12    -8.264912  +2.94  -14.80c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 13:39:10    -3.747440  +3.11  -14.57c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 13:39:56    42.767327  +3.73  -15.29c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 13:40:46   155.928995  +4.16  -14.71c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 629 13:42:18   160.577998  +4.17  -15.17c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 630 13:43:52    12.760081  +3.44  -15.28c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 631 13:44:52    39.611675  +3.70  -14.91c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 13:46:26    90.013213  +3.97  -14.74c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 633 13:47:50    -6.109281  +2.95  -14.36c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 13:49:08    -7.032222  +3.05  -14.70c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 635 13:50:28     3.457611  +3.28  -15.01c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 636 13:51:33    47.896358  +3.78  -15.31c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 637 13:52:49    57.001152  +3.84  -14.75c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 638 13:54:31    18.237886  +3.51  -14.39c   +0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 639 13:55:28    28.582062  +3.65  -14.84c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 640 13:57:31    97.829869  +4.00  -15.33c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 13:58:58   183.940278  +4.27  -14.77c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 642 13:59:54   104.817654  +4.09  -15.04c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 643 14:01:34    71.323028  +3.94  -14.86c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 14:02:55   158.700994  +4.28  -15.03c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 645 14:04:19    65.095481  +3.95  -14.69c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 646 14:06:18    24.169668  +3.63  -15.32c   -0.0000          63
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 14:07:27    -5.691385  +2.98  -14.79c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 648 14:08:41     7.346416  +3.36  -14.84c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 649 14:09:59    36.337424  +3.78  -14.87c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 650 14:11:08   272.044131  +4.53  -14.81c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 651 14:12:15     1.550815  +3.35  -14.83c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 14:13:20    47.341590  +3.90  -14.93c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 653 14:14:31     9.034979  +3.53  -14.68c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 14:15:31    55.227354  +3.95  -14.74c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 655 14:16:47    34.119137  +3.78  -15.48c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 14:17:47    20.298706  +3.67  -14.53c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 14:19:28    73.941645  +4.03  -14.90c   -0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 14:20:46    57.355931  +3.94  -15.14c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 14:21:45     3.432828  +3.42  -14.43c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 14:22:29    21.365469  +3.71  -15.20c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 14:23:10    81.606654  +4.08  -15.01c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 662 14:24:45   215.261931  +4.41  -15.24c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 663 14:27:19   241.839891  +4.43  -14.74c   +0.0000          47
MOM has detected variational collapse, occupied orbitals have changed
iter: 664 14:30:27    86.747878  +4.05  -15.35c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 14:31:42     5.862976  +3.35  -14.82c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 666 14:32:48    58.586467  +3.95  -14.96c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 667 14:33:37    -4.526772  +3.17  -15.14c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 668 14:34:50   165.549563  +4.34  -15.28c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 669 14:36:20   118.185754  +4.22  -14.86c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 14:37:06    10.926214  +3.51  -15.36c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 14:38:16    -1.773748  +3.14  -14.97c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 672 14:39:38    11.503242  +3.43  -14.67c   -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 673 14:40:59     9.320514  +3.51  -14.62c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 674 14:41:57    24.911416  +3.72  -14.99c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 675 14:42:45    -9.123271  +2.81  -14.90c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 676 14:43:34    32.738382  +3.77  -15.43c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 677 14:44:27  1002.015726  +5.16  -15.30c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 678 14:45:57   125.996795  +4.32  -14.64c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 679 14:47:09    53.015931  +4.01  -14.69c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 680 14:48:29   162.747691  +4.42  -15.16c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 681 14:50:03    32.334810  +3.87  -14.73c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 14:50:51    33.395537  +3.89  -15.16c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 683 14:52:14    21.067996  +3.79  -15.26c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 684 14:53:18    39.385203  +3.94  -15.27c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 14:54:23    25.825160  +3.84  -15.38c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 686 14:55:08   133.555645  +4.33  -15.34c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 687 14:55:49    37.884857  +3.90  -15.28c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 688 14:56:35   576.373931  +4.89  -15.38c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 14:57:40   538.351301  +4.88  -14.71c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 690 14:58:27    48.871536  +3.98  -15.18c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 691 14:59:38   132.097505  +4.32  -15.48c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 692 15:00:45    24.774057  +3.76  -14.88c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 693 15:01:52    45.422437  +3.94  -15.38c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 694 15:03:02    59.292594  +4.03  -15.22c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 15:03:48     6.303041  +3.55  -15.30c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 15:04:28    22.257661  +3.78  -15.40c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 697 15:05:09    16.682319  +3.70  -15.28c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 698 15:05:52    21.510815  +3.74  -15.36c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 15:06:32    17.342098  +3.70  -15.39c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 700 15:07:13    27.703190  +3.79  -15.10c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 701 15:07:56    40.069841  +3.89  -15.46c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 702 15:08:44    39.486997  +3.89  -15.30c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 15:09:55    12.456338  +3.61  -14.95c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 704 15:10:43    74.913691  +4.09  -15.38c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 705 15:11:29    22.063641  +3.68  -15.38c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 706 15:12:27  1171.763119  +5.19  -15.37c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 707 15:13:22   883.583699  +5.04  -15.34c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 708 15:14:37  1752.719207  +5.17  -15.15c   -0.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 709 15:16:11  1267.138282  +5.17  -14.95c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 15:17:03   800.930271  +5.09  -15.05c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 711 15:18:33   292.131902  +4.69  -14.63c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 15:19:37    20.217382  +3.69  -14.51c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 713 15:20:42   162.318250  +4.44  -15.31c   +0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 15:21:54   128.590878  +4.35  -14.85c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 715 15:23:05    24.738388  +3.82  -14.73c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 716 15:24:23   173.189813  +4.53  -14.75c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 717 15:26:02   145.885043  +4.49  -14.75c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 718 15:26:50    24.082136  +3.88  -15.04c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 719 15:28:07   141.763024  +4.49  -14.75c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 15:29:07    95.060805  +4.32  -14.88c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 721 15:30:08    54.564826  +4.13  -14.84c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 722 15:31:10    94.370764  +4.31  -14.78c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 15:31:55    92.458772  +4.30  -15.09c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 724 15:33:05    43.481885  +4.01  -14.98c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 15:34:22   150.841388  +4.51  -15.07c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 726 15:35:12   357.594790  +4.87  -14.94c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 727 15:36:14   156.721118  +4.52  -14.94c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 728 15:37:12    58.485989  +4.17  -14.66c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 729 15:38:07    61.972117  +4.18  -14.65c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 730 15:39:42   133.250889  +4.43  -14.85c   +0.0000          38
MOM has detected variational collapse, occupied orbitals have changed
iter: 731 15:41:11   128.297467  +4.41  -14.79c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 732 15:42:55    83.835458  +4.27  -15.03c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 733 15:43:46   223.028060  +4.60  -14.56c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 734 15:44:39    -3.170787  +3.43  -14.71c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 15:45:23   305.399828  +4.70  -15.33c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 15:46:48   279.537464  +4.65  -14.59c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 15:48:09    31.253089  +3.89  -14.76c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 738 15:49:34   115.274681  +4.29  -15.33c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 15:50:15   202.863860  +4.47  -15.13c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 15:50:59   399.342324  +4.69  -15.43c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 15:51:52    12.569048  +3.60  -14.79c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 742 15:53:59     0.310857  +3.43  -15.30c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 743 15:57:22    18.222410  +3.59  -15.27c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 744 15:59:44    41.612465  +3.81  -14.85c   +0.0000          38
MOM has detected variational collapse, occupied orbitals have changed
iter: 745 16:03:08     5.119015  +3.43  -14.67c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 16:04:14   321.518328  +4.62  -14.81c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 16:04:55   214.176219  +4.44  -15.16c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 748 16:06:07   102.861045  +4.15  -15.00c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 749 16:07:56    -9.308880  +3.12  -15.35c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 750 16:10:02    19.382590  +3.66  -14.56c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 16:11:13   225.164136  +4.43  -15.17c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 16:12:14   121.398252  +4.21  -14.76c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 753 16:12:56    20.467924  +3.68  -15.24c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 754 16:14:01   654.884784  +4.78  -15.00c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 755 16:14:56    40.804795  +3.79  -14.72c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 756 16:16:15    85.989464  +4.00  -14.83c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 757 16:17:16    97.851009  +4.06  -15.12c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 758 16:20:08    61.307886  +3.88  -15.25c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 759 16:21:14    20.881134  +3.58  -15.16c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 760 16:22:20    16.659178  +3.54  -15.31c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 16:23:05    10.910731  +3.46  -15.53c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 16:23:52    57.912669  +3.87  -15.31c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 16:24:38    93.010254  +4.02  -15.42c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 764 16:25:22    36.333362  +3.73  -15.26c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 765 16:26:30    20.513146  +3.61  -15.45c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 16:27:09    91.147976  +4.02  -15.36c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 16:28:44  1519.521089  +5.04  -14.76c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 768 16:30:20   278.809380  +4.44  -14.63c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 769 16:31:33   132.032631  +4.14  -15.01c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 16:32:34    12.214525  +3.45  -14.95c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 16:33:59   146.011327  +4.18  -15.36c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 772 16:34:43  1123.205618  +4.86  -15.21c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 773 16:35:30   242.749962  +4.31  -15.37c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 774 16:36:48   221.360981  +4.26  -14.85c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 16:38:00    75.031869  +3.89  -14.68c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 16:38:57   101.034852  +4.00  -14.85c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 16:39:41    52.628948  +3.79  -15.31c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 778 16:40:22    -6.637835  +3.10  -15.23c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 779 16:41:02    99.275157  +3.98  -15.42c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 780 16:41:44   635.667327  +4.63  -15.14c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 781 16:43:04   288.327089  +4.34  -15.41c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 782 16:44:17    46.426385  +3.68  -14.75c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 16:45:23    79.374726  +3.83  -15.16c   +0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 16:46:51  1673.218933  +4.86  -14.53c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 16:47:57  1229.520747  +4.87  -14.50c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 786 16:49:09   694.604199  +4.68  -15.38c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 16:50:24    98.418535  +3.97  -14.72c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 16:51:17    84.481957  +3.88  -14.94c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 16:52:20    75.176106  +3.85  -15.46c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 16:53:43    78.980851  +3.90  -14.60c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 16:54:52   639.855605  +4.69  -14.71c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 16:55:54  1140.111730  +4.93  -14.83c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 793 16:57:22   188.200546  +4.29  -14.83c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 16:58:30    29.546426  +3.64  -14.77c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 16:59:31   495.275129  +4.65  -14.73c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 17:00:55   510.967894  +4.70  -14.82c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 797 17:02:03   557.658794  +4.72  -15.32c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 798 17:03:17   476.386924  +4.66  -14.69c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 17:04:14  1210.231601  +4.92  -15.35c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 17:05:07   162.867660  +4.21  -15.14c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 17:06:30     4.965377  +3.29  -14.64c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 17:07:41   422.817456  +4.58  -14.55c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 17:08:57    -6.550596  +2.66  -14.75c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 17:10:10   651.206895  +4.73  -14.68c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 17:11:20    47.994077  +3.77  -14.70c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 17:12:25    86.637350  +3.98  -14.89c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 17:13:17   183.784110  +4.24  -15.25c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 17:14:38    10.581587  +3.35  -14.80c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 17:15:59   899.771543  +4.82  -14.87c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 17:18:00  1338.626771  +4.95  -15.17c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 17:19:37     9.320050  +3.40  -15.17c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 17:20:44   493.025246  +4.60  -15.39c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 17:21:25    77.177186  +3.92  -15.30c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 17:23:14   939.975731  +4.77  -15.21c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 17:23:55    84.549741  +3.91  -15.12c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 17:25:03    23.455107  +3.53  -15.17c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 17:25:43    11.284546  +3.37  -15.33c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 17:26:45    48.029949  +3.73  -15.32c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 17:27:27   342.156197  +4.43  -15.35c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 17:28:36   249.787775  +4.32  -15.32c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 17:29:22    -2.854409  +3.15  -15.26c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 17:30:06     0.428463  +3.26  -15.05c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 17:31:11   181.027565  +4.21  -15.38c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 17:32:18   439.146968  +4.53  -15.44c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 17:33:22   432.984957  +4.52  -15.21c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 17:34:08   327.790375  +4.42  -15.42c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 17:34:47   929.580711  +4.74  -15.17c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 17:35:43   972.777921  +4.72  -14.85c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 17:36:24   108.928254  +3.96  -15.38c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 17:37:09   116.705056  +3.97  -15.18c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 17:37:53    87.278923  +3.88  -15.29c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 832 17:39:11    67.178939  +3.78  -14.75c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 833 17:39:55   317.107206  +4.34  -14.86c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 17:40:53   925.547966  +4.68  -15.14c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 17:41:53   742.003965  +4.61  -14.71c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 17:42:37   155.013109  +4.05  -15.38c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 17:43:15   136.604612  +4.00  -15.41c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 838 17:44:21   750.927666  +4.62  -15.49c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 17:46:18    57.370763  +3.69  -15.41c   +0.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 17:47:20    14.708617  +3.33  -14.96c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 17:48:06    52.858152  +3.68  -15.06c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 17:49:58     5.938210  +3.25  -15.35c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 17:50:43   397.270465  +4.42  -15.35c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 17:52:26   444.633669  +4.45  -15.36c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 17:53:51    94.600941  +3.87  -14.91c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 17:54:43     4.257658  +3.12  -15.07c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 17:55:59   120.856768  +3.98  -14.83c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 17:56:40    37.083697  +3.58  -15.32c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 17:57:24    23.817394  +3.47  -15.46c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 17:58:04   137.997621  +4.03  -15.40c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 17:58:48    42.874209  +3.65  -15.65c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 17:59:33   530.865123  +4.53  -15.16c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 853 18:00:42    15.331807  +3.41  -15.28c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 18:01:22   140.174472  +4.04  -15.21c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 855 18:02:21    26.395580  +3.52  -14.60c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 856 18:03:00   243.658490  +4.24  -15.12c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 18:03:42   760.602032  +4.63  -15.26c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 18:04:24   623.426492  +4.57  -15.43c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 18:05:07   730.213524  +4.61  -15.25c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 18:05:59   126.266842  +3.99  -14.73c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 18:06:41    73.504815  +3.81  -15.34c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 18:07:19   307.720738  +4.31  -15.47c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 18:08:01   454.278185  +4.45  -15.33c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 18:09:09   121.812812  +3.97  -15.01c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 18:10:41    38.004149  +3.58  -15.02c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 18:11:30    91.250662  +3.88  -15.12c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 18:13:07    -1.032938  +3.00  -14.95c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 868 18:14:16    28.982047  +3.53  -15.32c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 869 18:15:03   440.778696  +4.47  -15.43c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 18:16:11     6.543613  +3.26  -15.48c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 18:16:57   561.126870  +4.56  -15.26c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 18:18:03    20.860890  +3.48  -15.41c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 18:18:48   381.933688  +4.42  -14.95c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 18:19:53    20.673360  +3.48  -15.35c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 18:21:20   118.129171  +3.99  -15.29c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 876 18:22:02    41.406645  +3.64  -15.24c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 18:23:30    20.202374  +3.44  -15.20c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 878 18:24:13     8.318999  +3.32  -15.42c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 18:24:55   108.110301  +3.97  -15.21c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 880 18:25:37    -7.698600  +2.99  -15.21c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 881 18:26:39   204.502497  +4.21  -15.00c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 18:27:20    45.787340  +3.72  -15.03c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 18:28:21     4.721643  +3.28  -15.53c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 18:29:31    82.004268  +3.88  -14.97c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 18:30:49    -2.183888  +3.18  -15.18c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 18:32:06    45.498993  +3.70  -14.66c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 887 18:32:48    -5.132489  +3.05  -15.28c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 888 18:34:34    34.692815  +3.64  -15.21c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 889 18:35:20    60.571928  +3.78  -15.19c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 890 18:36:36    79.161393  +3.87  -15.34c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 18:38:07    13.174497  +3.34  -14.64c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 892 18:39:39   243.238404  +4.27  -14.59c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 893 18:40:57   119.588042  +4.03  -14.58c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 894 18:41:58    33.065484  +3.61  -15.27c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 895 18:42:38   358.780638  +4.41  -15.38c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 896 18:43:32   397.162417  +4.45  -14.73c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 18:44:14    -4.218606  +3.08  -15.41c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 898 18:45:16    46.509251  +3.72  -15.11c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 899 18:46:01   357.892619  +4.46  -15.42c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 900 18:47:34   126.514013  +4.06  -15.26c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 18:48:33    23.972518  +3.52  -14.67c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 902 18:49:16    14.879277  +3.46  -15.43c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 903 18:50:01    -6.500841  +3.06  -15.09c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 904 18:51:05   106.808274  +4.00  -15.45c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 905 18:51:46    61.065441  +3.82  -15.02c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 906 18:53:03    50.756532  +3.75  -14.73c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 907 18:54:29     0.424521  +3.25  -15.28c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 908 18:55:40   415.700709  +4.49  -15.55c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 909 18:57:16   726.842616  +4.68  -14.75c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 910 18:58:27   291.348500  +4.35  -15.26c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 911 18:59:33   591.280871  +4.61  -15.29c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 19:01:19   993.475732  +4.76  -15.31c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 19:02:38   377.734958  +4.45  -14.69c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 19:03:38   228.997746  +4.26  -15.02c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 915 19:04:28   202.914825  +4.21  -14.59c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 19:05:15    46.410428  +3.70  -14.98c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 917 19:07:00   131.500184  +4.04  -14.90c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 19:08:12    83.466781  +3.88  -15.27c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 19:09:34   -13.991634  +2.55  -14.71c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 920 19:10:18   276.451543  +4.35  -15.26c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 921 19:11:18    90.580126  +3.95  -15.33c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 19:12:41   407.796988  +4.50  -15.30c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 19:13:50   352.255900  +4.45  -15.26c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 924 19:14:34   230.817915  +4.28  -15.18c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 19:15:18   374.077477  +4.47  -15.36c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 926 19:16:00    16.337842  +3.45  -15.42c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 19:16:53   205.172337  +4.24  -14.66c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 928 19:17:56   592.350758  +4.65  -15.38c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 929 19:18:35    84.509552  +3.93  -15.33c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 930 19:19:16   -10.791928  +2.92  -15.34c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 931 19:20:44  1438.872499  +4.97  -15.26c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 932 19:21:24   100.607493  +4.04  -15.29c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 933 19:22:02    99.850973  +4.03  -15.31c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 19:22:42   405.939746  +4.52  -14.97c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 935 19:23:20   281.993462  +4.39  -15.37c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 936 19:24:02   129.894222  +4.10  -15.12c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 937 19:24:50   243.031768  +4.34  -15.57c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 938 19:25:34  1283.789163  +4.90  -15.57c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 939 19:26:17    45.775901  +3.75  -15.40c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 940 19:26:57     2.854782  +3.31  -15.16c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 941 19:28:00   105.394167  +4.03  -14.93c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 19:29:08   173.080321  +4.20  -15.20c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 943 19:30:19   289.918850  +4.37  -14.74c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 944 19:31:00    53.962025  +3.78  -15.21c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 945 19:31:38   572.741026  +4.60  -15.18c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 946 19:32:21   142.462511  +4.08  -15.24c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 947 19:33:04   935.423507  +4.73  -15.09c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 948 19:34:40   274.275628  +4.30  -14.76c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 19:35:44    74.886911  +3.85  -15.42c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 19:36:31   287.924667  +4.35  -15.23c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 951 19:37:10   548.156664  +4.59  -15.22c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 952 19:38:11    -2.688302  +3.15  -15.11c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 953 19:38:50    -8.192090  +3.00  -15.11c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 954 19:39:53   249.370709  +4.31  -15.12c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 955 19:40:37   699.722004  +4.65  -15.33c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 956 19:41:33   698.767801  +4.63  -14.56c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 19:42:14   281.512073  +4.30  -15.34c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 958 19:42:56   124.840980  +4.01  -15.40c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 19:45:13   344.881796  +4.38  -15.26c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 960 19:46:55   239.582996  +4.24  -15.38c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 961 19:47:52     7.848728  +2.93  -15.26c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 19:49:06    78.056581  +3.80  -15.31c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 963 19:50:21    12.370183  +3.19  -14.92c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 964 19:51:10   459.479994  +4.50  -15.21c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 965 19:52:33   252.390802  +4.26  -15.30c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 966 19:54:57    74.667728  +3.79  -14.80c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 967 19:56:34   130.763113  +4.02  -14.72c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 968 19:57:27   185.207978  +4.15  -15.39c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 969 19:58:15   217.315021  +4.23  -15.31c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 970 19:59:15   173.572708  +4.14  -14.87c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 971 20:00:52    12.487182  +3.35  -15.26c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 972 20:01:42   106.554486  +3.98  -15.28c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 20:02:28    97.424367  +3.97  -15.32c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 20:03:05   207.364921  +4.23  -15.24c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 975 20:04:29    79.054030  +3.88  -14.98c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 976 20:05:58   189.845638  +4.19  -15.09c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 977 20:07:31    40.344070  +3.65  -14.96c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 20:08:35    61.365561  +3.81  -14.47c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 979 20:09:47    33.543721  +3.64  -15.09c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 980 20:10:52    -8.012560  +3.03  -15.42c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 981 20:11:36   232.312941  +4.27  -15.18c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 982 20:12:19    -7.861318  +3.01  -15.34c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 983 20:13:01    17.806420  +3.48  -15.39c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 984 20:13:49    -0.342796  +3.23  -15.47c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 985 20:15:56    39.147627  +3.59  -14.88c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 20:16:42  1466.061347  +4.80  -15.27c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 20:17:53    -7.303874  +2.71  -15.42c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 988 20:18:42    13.602132  +3.37  -15.27c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 20:19:25    29.088724  +3.57  -15.39c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 990 20:20:05   220.447198  +4.23  -15.17c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 991 20:20:43    30.934375  +3.58  -15.28c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 20:21:26    55.238480  +3.74  -15.51c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 20:22:30    19.815549  +3.49  -15.50c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 994 20:24:03    -8.304881  +3.08  -15.38c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 995 20:24:43    20.108380  +3.48  -15.34c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 996 20:25:44   261.829787  +4.28  -15.04c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 997 20:26:22   639.344210  +4.59  -15.42c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 20:28:11    -5.995755  +2.94  -14.89c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 20:29:19   881.752887  +4.69  -14.66c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 20:30:20    75.897226  +3.84  -14.61c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed

Did not converge!

Here are some tips:

1) Make sure the geometry and spin-state is physically sound.
2) Use less aggressive density mixing.
3) Solve the eigenvalue problem more accurately at each scf-step.
4) Use a smoother distribution function for the occupation numbers.
5) Try adding more empty states.
6) Use enough k-points.
7) Don't let your structure optimization algorithm take too large steps.
8) Solve the Poisson equation more accurately.
9) Better initial guess for the wave functions.

See details here:

    https://wiki.fysik.dtu.dk/gpaw/documentation/convergence.html


