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

User:   aes38@compute-40
Date:   Sat Sep 30 00:49:15 2023
Arch:   x86_64
Pid:    750829
CWD:    /users/home/aes38/Rydberg/new/ethylene/Csic/sixthext
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: 183.90 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: 273.48 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
              .------------------------------------------------.  
             /|                                                |  
            / |                                                |  
           /  |                                                |  
          /   |                                                |  
         /    |                                                |  
        /     |                                                |  
       /      |                                                |  
      /       |                                                |  
     /        |                                                |  
    /         |                                                |  
   /          |                                                |  
  /           |                                                |  
 *            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            |                  H                             |  
 |            |                                                |  
 |            |                HC                              |  
 |            |                 CH                             |  
 |            |                                                |  
 |            |                H                               |  
 |            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            |                                                |  
 |            .------------------------------------------------.  
 |           /                                                /   
 |          /                                                /    
 |         /                                                /     
 |        /                                                /      
 |       /                                                /       
 |      /                                                /        
 |     /                                                /         
 |    /                                                /          
 |   /                                                /           
 |  /                                                /            
 | /                                                /             
 |/                                                /              
 *------------------------------------------------*               

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

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

  Lengths:  20.000000  21.847084  22.456465
  Angles:   90.000000  90.000000  90.000000

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

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 00:57:48   -20.257242  +0.26  -1.95    -2.0000         110
iter:   2 01:01:41   -20.666934  -0.28  -2.68    -2.0000         116
iter:   3 01:05:58   -19.627069  +0.20  -14.72c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:   4 01:06:44   -21.382707  -0.26  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:   5 01:09:13   -20.703736  -0.66  -4.49c   -2.0000          22
iter:   6 01:10:41   -20.803462  -0.48  -3.67    -2.0000          47
iter:   7 01:11:57   -20.823387  +0.45  -3.84    -2.0000          40
iter:   8 01:13:25   -20.809149  +1.37  -4.49c   -2.0000          46
iter:   9 01:14:00   -18.115578  +2.78  -2.93    -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  10 01:17:31   -20.156231  +1.88  -4.82c   -2.0000          61
iter:  11 01:18:27   -20.516915  +1.27  -4.32c   -2.0000          29
iter:  12 01:22:16   -20.692860  +1.73  -2.00    -2.0000         114
iter:  13 01:24:04   -20.777943  +1.74  -3.70    -2.0000          55
iter:  14 01:25:00   -21.008654  +0.19  -4.96c   -2.0000          28
iter:  15 01:25:58   -21.021154  -0.03  -3.07    -2.0000          30
iter:  16 01:26:33   -21.020315  +0.41  -2.56    -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  17 01:28:15   -19.860427  +2.12  -3.04    -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  18 01:29:50   -21.030897  -0.81  -3.89    -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  19 01:30:32   -19.782074  +2.48  -14.76c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  20 01:34:45   -20.522340  +0.80  -2.03    -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter:  21 01:35:40   -20.259960  +1.70  -14.64c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  22 01:36:17   -20.487272  +1.83  -15.22c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  23 01:36:54   -20.519896  +2.00  -15.32c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  24 01:37:29   -20.547285  +1.55  -15.32c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter:  25 01:38:14   -20.914697  +0.58  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  26 01:38:53   -20.510970  +0.57  -15.22c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  27 01:40:18   -20.394925  +1.33  -15.18c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  28 01:41:00   -21.054169  +1.08  -15.39c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  29 01:41:39   -20.814465  +1.53  -15.17c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  30 01:42:25   -20.385621  +1.96  -15.30c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  31 01:43:22   -20.572034  +1.79  -15.31c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  32 01:44:00   -21.155656  +0.23  -15.58c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  33 01:44:44   -21.876571  +1.73  -14.95c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  34 01:45:25   -21.148078  +1.75  -15.42c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  35 01:47:55   -21.084351  +1.92  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  36 01:48:37   -20.818756  +2.08  -15.35c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  37 01:49:18   -20.497238  +2.04  -15.33c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  38 01:50:21   -21.509155  +1.34  -15.17c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  39 01:51:06   -21.290323  +1.16  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  40 01:51:47   -20.659810  +1.97  -15.12c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  41 01:52:35   -22.101352  +1.73  -15.35c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  42 01:53:43   -20.762870  +1.95  -14.88c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  43 01:55:11   -22.184456  +1.67  -15.43c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  44 01:55:54   -19.840153  +2.28  -14.91c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  45 01:57:41   -19.975545  +1.86  -1.85    -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  46 01:58:22   -19.963198  +2.04  -15.02c   -2.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter:  47 01:59:25   -21.965549  +1.25  -15.50c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  48 02:00:04   -21.308143  +1.33  -15.43c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  49 02:00:44   -21.077410  +1.81  -15.24c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  50 02:01:29   -21.315095  +1.69  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  51 02:02:15   -21.166105  +1.54  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  52 02:03:04   -20.451744  +1.23  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  53 02:04:09   -21.238733  +1.27  -14.95c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  54 02:09:26   -21.133372  +0.38  -2.08    -2.0000          53
MOM has detected variational collapse, occupied orbitals have changed
iter:  55 02:10:35   -20.645491  +1.14  -14.77c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  56 02:11:15   -21.818279  +1.70  -15.33c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  57 02:12:00   -21.218127  +1.56  -15.41c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  58 02:13:27   -20.209854  +1.23  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  59 02:14:07   -20.372053  +1.60  -15.52c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  60 02:14:45   -19.373075  +2.57  -15.15c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  61 02:16:33   -19.821506  +1.94  -1.98    -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  62 02:17:36   -21.582229  +1.38  -14.91c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  63 02:18:37   -21.036175  +1.43  -15.24c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  64 02:19:24   -21.226070  +1.86  -14.93c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  65 02:20:02   -19.820578  +2.22  -15.51c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  66 02:20:49   -19.399254  +2.64  -15.23c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  67 02:23:23   -19.679663  +1.88  -5.10c   -2.0000          36
iter:  68 02:23:50   -20.413426  -0.01  -1.97    -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  69 02:24:49   -21.397254  +1.35  -15.13c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  70 02:25:31   -21.625404  +1.87  -15.36c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  71 02:26:18   -20.695283  +2.06  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  72 02:27:26   -21.434391  +1.89  -15.45c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  73 02:30:14   -20.594936  +1.08  -15.40c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  74 02:30:54   -20.767174  +1.90  -15.21c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  75 02:31:32   -20.355281  +1.68  -15.36c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  76 02:32:35   -20.630829  +2.04  -15.06c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  77 02:33:17   -21.059609  +1.68  -15.18c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  78 02:35:45   -20.843228  +2.14  -15.73c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  79 02:36:27   -20.775034  +1.63  -15.35c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  80 02:39:39   -20.868925  +1.95  -15.39c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  81 02:40:22   -20.488469  +2.15  -15.08c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  82 02:41:29   -20.683583  +1.78  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  83 02:42:08   -19.670032  +2.31  -15.19c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  84 02:42:47   -19.393710  +2.50  -15.32c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  85 02:43:25   -18.606802  +2.81  -15.32c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  86 02:44:06   -14.271747  +3.23  -15.44c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  87 02:46:39   -16.241823  +2.80  -5.81c   -2.0000          33
iter:  88 02:47:41   -15.420287  +2.91  -3.99    -2.0000          31
iter:  89 02:48:08   -21.063317  +1.72  -2.01    -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  90 02:49:04   -20.882262  +1.78  -14.80c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  91 02:49:49   -21.345752  +1.62  -15.05c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  92 02:51:18   -20.807485  +1.64  -15.28c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  93 02:52:03   -21.037363  +1.99  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  94 02:52:43   -20.633061  +2.07  -15.17c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  95 02:53:26   -20.309561  +2.20  -15.21c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  96 02:54:05   -19.658613  +2.60  -15.32c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  97 02:54:40   -19.653809  +2.45  -15.23c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter:  98 02:55:18   -19.085703  +2.61  -15.34c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  99 02:56:02   -19.984423  +2.68  -15.28c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 100 02:56:41   -19.504090  +2.55  -15.51c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 101 02:57:23   -20.600087  +2.43  -15.25c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 102 02:58:05   -18.402224  +2.88  -15.42c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 103 02:58:44   -19.723430  +2.63  -15.36c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 104 02:59:44   -14.410396  +3.19  -15.01c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 105 03:00:27   -12.260586  +3.32  -15.22c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 106 03:01:07    -2.072817  +3.66  -15.38c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 107 03:01:51    29.683683  +4.08  -15.33c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 108 03:02:26   117.015006  +4.50  -15.23c   -2.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter: 109 03:03:07   126.971098  +4.51  -15.27c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 110 03:03:57   437.184999  +4.94  -15.07c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 111 03:05:04  1109.610082  +5.23  -14.50c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 03:06:36    -1.243473  +3.52  -14.76c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 113 03:07:20    19.801521  +3.83  -15.44c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 114 03:08:10  1306.820281  +5.26  -15.37c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 03:12:09   390.429423  +4.82  -15.24c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 03:14:12   526.078145  +4.97  -14.98c   -2.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 117 03:16:14   140.894202  +4.43  -14.97c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 118 03:18:11   322.437155  +4.73  -14.62c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 03:19:56   266.721095  +4.67  -14.94c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 03:21:22   377.501621  +4.78  -15.17c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 121 03:23:03    92.966613  +4.21  -14.57c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 122 03:24:04   311.952079  +4.67  -15.52c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 03:25:23   161.675759  +4.46  -14.84c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 124 03:26:32    52.049835  +4.03  -14.86c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 03:27:41   285.507461  +4.66  -15.14c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 03:28:42   356.452191  +4.74  -14.81c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 03:29:50   488.791177  +4.83  -14.79c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 128 03:31:13   399.151190  +4.73  -14.63c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 129 03:32:13   452.862307  +4.76  -15.39c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 130 03:33:14   159.207212  +4.39  -14.73c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 131 03:34:18   818.016274  +5.01  -14.79c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 132 03:35:59   512.837426  +4.83  -14.88c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 133 03:37:13    38.605936  +3.86  -15.06c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 134 03:39:01   356.162501  +4.64  -14.77c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 135 03:40:21   862.789859  +5.00  -15.09c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 136 03:41:34   798.789466  +4.96  -15.07c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 137 03:43:08   159.082084  +4.39  -14.64c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 138 03:44:22   432.015909  +4.85  -14.43c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 139 03:45:26   400.113271  +4.81  -14.78c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 140 03:46:53    12.412451  +3.69  -14.82c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 141 03:48:21   274.923763  +4.65  -14.72c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 142 03:49:42   353.048606  +4.79  -14.72c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 143 03:50:57   520.591482  +4.91  -14.82c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 144 03:52:07   188.833053  +4.51  -14.46c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 145 03:53:25    70.229396  +4.19  -14.49c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 146 03:54:40   256.547077  +4.71  -14.86c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 147 03:55:46    38.936804  +4.05  -14.72c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 148 03:56:48    12.079684  +3.75  -14.61c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 149 03:57:56    11.396606  +3.75  -14.62c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 150 03:59:08   288.938945  +4.78  -14.89c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 151 04:01:07   233.077923  +4.66  -15.19c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 152 04:03:14   826.062143  +5.09  -14.85c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 153 04:04:46    84.838784  +4.20  -15.48c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 154 04:06:22   550.886517  +4.90  -14.70c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 155 04:07:45   141.105411  +4.35  -15.23c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 156 04:08:56    48.198317  +3.97  -14.68c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 157 04:10:44    -1.429863  +3.18  -14.83c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 158 04:12:26   349.404995  +4.70  -14.77c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 159 04:14:08   654.933625  +4.91  -14.66c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 160 04:15:21   547.365512  +4.88  -14.53c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 161 04:16:52   371.228583  +4.76  -14.60c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 162 04:18:03   179.567186  +4.48  -15.39c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 163 04:19:50   178.791621  +4.45  -15.37c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 164 04:21:04   391.937838  +4.80  -15.03c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 165 04:21:54   309.240216  +4.69  -15.11c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 166 04:22:47   268.002130  +4.59  -14.69c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 167 04:23:39   579.975537  +4.89  -15.50c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 04:24:31    50.855274  +3.98  -15.43c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 169 04:25:51   859.152171  +4.97  -14.80c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 170 04:26:39   179.344395  +4.35  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 171 04:28:20    31.372169  +3.74  -14.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 172 04:30:19    86.321610  +4.08  -15.29c   -2.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 173 04:32:39   130.460318  +4.22  -14.72c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 174 04:34:11    81.696925  +4.03  -14.89c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 175 04:35:58   155.485749  +4.31  -14.70c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 176 04:37:26   201.487278  +4.37  -15.23c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 177 04:38:24   403.457195  +4.62  -15.48c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 178 04:39:55   816.236709  +4.94  -14.66c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 179 04:41:26   206.993382  +4.43  -14.53c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 180 04:42:39    42.664848  +3.87  -14.78c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 181 04:44:07   697.840906  +4.96  -14.89c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 182 04:45:26   174.817559  +4.47  -14.70c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 183 04:46:54    97.311400  +4.29  -14.54c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 184 04:47:49     2.037064  +3.51  -14.82c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 185 04:48:38    61.553817  +4.14  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 186 04:50:03   101.308363  +4.30  -14.64c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 187 04:51:14    30.487300  +3.89  -15.12c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 188 04:52:15    59.216042  +4.10  -14.55c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 189 04:52:55   126.088206  +4.36  -15.16c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 190 04:53:56   224.254199  +4.56  -14.93c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 191 04:54:43   230.154248  +4.55  -15.18c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 192 04:55:50   128.074265  +4.32  -14.65c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 193 04:56:34   404.889241  +4.71  -15.18c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 194 04:57:48   527.118392  +4.78  -15.33c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 195 04:59:06    68.065295  +4.00  -15.33c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 196 05:00:22    55.092313  +3.93  -14.47c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 197 05:01:32   504.030725  +4.78  -14.85c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 198 05:03:42   337.546958  +4.62  -14.82c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 199 05:04:33   372.964118  +4.66  -14.78c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 200 05:05:22   249.680343  +4.48  -15.38c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 201 05:06:11    13.448310  +3.51  -15.48c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 202 05:07:26    32.539346  +3.80  -14.95c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 203 05:08:49    34.023573  +3.81  -14.87c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 204 05:09:40    -0.888078  +3.38  -15.25c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 205 05:10:23     9.820222  +3.59  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 206 05:11:08    68.331476  +4.06  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 207 05:11:55    21.357450  +3.73  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 208 05:12:36    16.764569  +3.67  -15.33c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 209 05:13:26    46.661091  +3.92  -15.30c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 210 05:14:19   774.229542  +4.98  -15.13c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 211 05:15:16    99.445700  +4.18  -14.76c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 212 05:16:26    54.325918  +3.96  -14.97c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 213 05:17:15   473.917429  +4.85  -15.10c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 214 05:18:06   129.159694  +4.38  -14.93c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 215 05:19:36    57.169197  +4.08  -14.62c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 216 05:20:27    12.666524  +3.68  -15.44c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 217 05:21:15   209.642515  +4.56  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 218 05:22:24     9.733623  +3.68  -15.15c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 219 05:23:10     8.639912  +3.67  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 220 05:24:05    23.529934  +3.85  -15.45c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 221 05:24:54    35.430060  +3.93  -15.36c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 222 05:25:41    16.589104  +3.74  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 223 05:26:51    39.570527  +3.96  -15.04c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 224 05:27:41    13.729428  +3.72  -15.48c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 225 05:29:36   129.583534  +4.34  -15.37c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 226 05:30:23    30.803033  +3.87  -15.03c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 227 05:31:14    16.744939  +3.75  -15.25c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 228 05:32:01    16.883354  +3.74  -15.45c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 229 05:32:47    61.560029  +4.08  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 230 05:33:31     8.235596  +3.60  -15.40c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 231 05:34:32  1307.585961  +5.25  -15.28c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 232 05:35:35   140.666128  +4.42  -14.63c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 233 05:36:49   120.693792  +4.32  -15.44c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 234 05:38:24  1266.127890  +5.25  -15.01c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 235 05:40:05    25.590505  +3.82  -14.91c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 236 05:40:49    34.541893  +3.92  -15.26c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 237 05:42:00    44.415744  +3.98  -15.27c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 238 05:42:46    66.621057  +4.08  -15.23c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 239 05:44:15    59.984921  +4.05  -15.45c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 240 05:46:24    29.542100  +3.73  -15.20c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 241 05:47:48     4.104865  +3.54  -15.01c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 242 05:48:33   126.775140  +4.32  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 243 05:49:43  1452.678386  +5.17  -15.09c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 244 05:51:02     2.551617  +3.46  -14.45c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 245 05:52:08    27.946734  +3.77  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 246 05:52:55    17.852017  +3.69  -15.60c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 247 05:54:43    53.814816  +3.95  -15.13c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 248 05:55:27    27.780702  +3.78  -15.59c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 249 05:56:35    17.919494  +3.69  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 250 05:57:23   112.137699  +4.21  -15.19c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 251 05:58:10    -7.178434  +3.23  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 05:59:01   151.553276  +4.36  -15.57c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 253 06:00:28   -12.837494  +2.98  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 254 06:02:15     1.422204  +3.49  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 06:03:01   168.415425  +4.39  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 256 06:03:55    33.618653  +3.86  -15.15c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 257 06:05:04    18.399110  +3.71  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 258 06:05:52    60.387928  +4.01  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 06:07:01     9.334539  +3.59  -15.27c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 260 06:07:48    49.410141  +3.97  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 261 06:08:56   -13.852644  +3.04  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 06:09:44    11.758993  +3.65  -15.23c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 263 06:10:30     0.088945  +3.45  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 264 06:11:15    30.380901  +3.82  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 265 06:12:04     8.787647  +3.57  -15.39c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 266 06:13:38    22.920437  +3.74  -15.26c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 267 06:14:47    22.252372  +3.73  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 268 06:15:38   200.852612  +4.45  -15.31c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 269 06:17:26   105.696913  +4.20  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 270 06:18:10    78.837159  +4.12  -15.46c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 271 06:19:01     0.230245  +3.47  -14.92c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 272 06:19:46   364.075554  +4.73  -15.40c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 273 06:20:32   120.277528  +4.30  -15.06c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 274 06:21:44   180.373390  +4.45  -15.39c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 275 06:22:53    21.860266  +3.78  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 276 06:23:37    -1.006855  +3.42  -15.49c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 277 06:24:26    -0.309795  +3.42  -15.18c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 278 06:25:20   858.730802  +5.12  -15.20c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 279 06:26:38   -13.038178  +2.90  -14.94c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 280 06:27:26   104.066983  +4.29  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 281 06:28:12    50.908386  +4.04  -15.45c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 282 06:28:59    92.648142  +4.24  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 283 06:29:53    61.841637  +4.10  -15.39c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 06:31:00   168.958605  +4.43  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 06:31:48   103.800091  +4.22  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 06:32:38   799.194998  +5.03  -15.42c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 287 06:33:18    86.017512  +4.18  -15.05c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 06:34:06    68.059718  +4.09  -15.06c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 289 06:34:53   111.462932  +4.25  -15.46c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 290 06:35:58    18.978486  +3.73  -15.33c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 291 06:37:29   127.319036  +4.33  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 292 06:38:14    26.244019  +3.84  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 293 06:38:54    26.375111  +3.83  -15.17c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 294 06:39:41    40.501948  +3.95  -15.62c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 06:40:47    57.852933  +4.06  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 06:41:59   172.789568  +4.42  -15.28c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 297 06:43:08    79.531900  +4.12  -15.41c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 06:44:19   190.168163  +4.43  -15.20c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 06:45:07    47.193185  +3.93  -15.43c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 06:46:36    15.430675  +3.68  -15.35c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 06:47:41    36.767844  +3.88  -15.45c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 06:48:25   459.561400  +4.76  -15.44c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 303 06:49:13   225.141731  +4.45  -15.51c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 06:50:01   731.012085  +4.86  -15.25c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 06:51:10   183.643113  +4.33  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 06:51:49    99.954703  +4.10  -14.94c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 307 06:53:13   113.342506  +4.17  -14.73c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 308 06:54:15   503.731519  +4.73  -14.73c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 309 06:55:25   477.161227  +4.70  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 310 06:56:35   528.268126  +4.74  -14.67c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 311 06:57:22   865.801651  +4.88  -15.43c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 06:59:16    13.177817  +3.57  -15.27c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 313 06:59:59    26.574544  +3.73  -15.26c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 314 07:00:46    -9.214245  +3.11  -15.31c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 315 07:01:33   927.961376  +4.96  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 316 07:02:20   361.050667  +4.58  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 07:03:47   291.912930  +4.47  -14.63c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 318 07:04:44    40.857161  +3.78  -14.66c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 319 07:05:26   300.351452  +4.48  -15.17c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 320 07:06:13    24.479938  +3.66  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 321 07:07:38    89.891495  +4.05  -14.75c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 322 07:08:43    -2.815480  +3.24  -15.45c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 323 07:09:32   101.544410  +4.13  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 324 07:11:03   117.218304  +4.18  -15.68c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 325 07:11:46   479.358998  +4.74  -15.12c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 326 07:13:33    60.504289  +3.93  -15.22c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 327 07:14:58   253.631568  +4.50  -14.96c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 328 07:16:21   261.768515  +4.49  -14.75c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 329 07:17:05   275.489820  +4.49  -15.21c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 330 07:17:51   530.900103  +4.71  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 331 07:18:49   737.126189  +4.80  -14.95c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 07:19:30    18.784626  +3.56  -15.28c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 333 07:20:59    -2.714225  +3.23  -15.46c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 334 07:21:39    44.188112  +3.80  -15.06c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 335 07:23:09    74.103330  +3.96  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 07:23:53   616.238097  +4.76  -14.88c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 337 07:24:41    44.145225  +3.81  -15.08c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 338 07:25:49   169.203220  +4.28  -15.01c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 07:27:20   148.489286  +4.21  -14.55c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 340 07:28:06  1035.172241  +4.91  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 341 07:28:51   682.474568  +4.73  -15.45c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 342 07:31:22    -9.483357  +2.95  -15.48c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 343 07:32:09    -5.692638  +3.12  -15.13c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 344 07:32:53   148.716720  +4.16  -15.35c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 345 07:33:38    31.853095  +3.66  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 346 07:34:21     6.731582  +3.41  -15.12c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 347 07:35:03    12.131990  +3.48  -15.43c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 07:36:07     4.045106  +3.36  -15.42c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 349 07:36:47   249.758742  +4.38  -15.50c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 07:37:56    86.188004  +4.00  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 07:39:19    28.276533  +3.66  -14.75c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 07:40:04    30.062302  +3.68  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 353 07:41:32   330.945795  +4.50  -15.54c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 07:42:17    91.499431  +4.04  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 355 07:42:57   624.143574  +4.77  -15.28c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 356 07:43:44   267.341944  +4.44  -15.50c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 357 07:44:29   779.616207  +4.79  -15.11c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 07:46:50   404.986479  +4.55  -15.10c   -2.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 07:48:36   220.718068  +4.30  -14.69c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 07:49:28   251.676276  +4.38  -15.38c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 361 07:51:16   157.303397  +4.21  -15.56c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 07:52:21    18.247850  +3.49  -14.59c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 363 07:54:16  1207.672642  +4.93  -15.05c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 364 07:55:16  1270.880881  +4.89  -14.89c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 365 07:55:58    77.407890  +3.90  -15.38c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 366 07:56:46   196.636689  +4.25  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 367 07:58:05   243.809738  +4.33  -15.33c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 368 07:59:34   211.304632  +4.28  -14.65c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 369 08:01:00  1244.861412  +4.89  -15.35c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 370 08:02:23   206.434077  +4.28  -14.70c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 371 08:03:53    31.243794  +3.58  -15.23c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 372 08:05:00    46.192092  +3.76  -14.68c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 08:08:58    81.674809  +3.96  -15.11c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 374 08:09:44    25.895441  +3.61  -15.06c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 375 08:10:27    59.837121  +3.86  -15.35c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 08:11:34    50.324824  +3.81  -15.16c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 377 08:12:45   133.223586  +4.12  -15.38c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 08:14:56   100.554020  +3.98  -14.71c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 08:16:02   102.982700  +4.01  -14.65c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 380 08:17:47   565.623107  +4.65  -14.61c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 08:19:05     6.156613  +3.32  -15.05c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 382 08:20:19    91.852007  +3.97  -14.83c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 383 08:21:18   120.768835  +4.09  -14.71c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 384 08:22:43   110.562133  +4.05  -15.13c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 08:23:27    82.143987  +3.95  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 386 08:24:34    42.772880  +3.77  -14.87c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 08:25:19   540.112492  +4.69  -15.17c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 388 08:26:08   109.552615  +4.08  -15.10c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 389 08:26:55    25.076131  +3.63  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 08:28:45   145.834947  +4.16  -14.91c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 391 08:29:30   858.698713  +4.80  -15.51c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 392 08:30:16    96.303198  +4.00  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 393 08:31:05   830.262968  +4.76  -15.20c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 394 08:32:08   422.643818  +4.54  -14.63c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 08:33:39    17.875837  +3.49  -15.44c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 396 08:34:26     4.314856  +3.33  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 397 08:35:15   -10.019181  +2.90  -15.46c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 398 08:36:00    17.126786  +3.53  -15.49c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 08:36:48   953.070436  +4.79  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 400 08:37:54   257.024412  +4.34  -14.76c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 401 08:38:34   452.550680  +4.52  -15.00c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 08:39:35   364.695767  +4.44  -14.83c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 08:40:40   264.372551  +4.30  -14.96c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 08:41:47   138.733077  +4.06  -14.75c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 08:42:45    -7.394582  +2.91  -14.84c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 08:43:34   293.252713  +4.37  -15.38c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 08:44:20    40.399131  +3.67  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 08:45:31   490.531531  +4.54  -15.32c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 409 08:46:27   359.232517  +4.45  -14.99c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 410 08:47:59   228.700894  +4.27  -15.37c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 411 08:49:05     8.214327  +3.34  -14.85c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 412 08:49:47    55.429828  +3.80  -15.25c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 413 08:50:59   257.011171  +4.33  -15.27c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 08:52:03    44.574498  +3.73  -15.51c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 415 08:53:08   782.789440  +4.72  -15.52c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 416 08:53:57   148.466418  +4.13  -15.50c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 08:55:10   139.936632  +4.10  -15.28c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 418 08:56:11    64.373400  +3.84  -14.98c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 419 08:57:21    73.469022  +3.90  -15.28c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 08:58:44    34.099236  +3.68  -15.30c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 08:59:47    55.187898  +3.81  -14.96c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 09:00:36    44.035754  +3.74  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 423 09:01:25     3.376633  +3.31  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 09:02:33    87.943321  +3.96  -15.46c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 425 09:03:17    -4.446943  +3.14  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 09:04:02    17.004090  +3.51  -15.65c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 09:04:48    13.816785  +3.47  -15.12c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 428 09:05:33    90.676668  +3.95  -15.41c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 09:06:21    62.092715  +3.81  -15.45c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 09:07:30     1.158146  +3.25  -15.21c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 09:08:36   972.751932  +4.76  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 432 09:09:40    78.029227  +3.88  -14.91c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 09:10:37    -1.929552  +3.18  -14.62c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 434 09:11:45   818.767558  +4.70  -15.24c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 09:12:33   165.033213  +4.13  -15.35c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 09:13:31   250.175466  +4.27  -14.66c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 09:14:44   182.453984  +4.17  -14.96c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 438 09:15:56   306.941875  +4.36  -15.19c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 439 09:17:03   549.349562  +4.55  -14.81c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 09:18:15   482.880771  +4.50  -15.31c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 441 09:19:07   465.400910  +4.47  -14.82c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 442 09:20:31  1851.132595  +4.82  -14.75c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 443 09:21:43    17.820104  +3.46  -14.79c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 09:22:50    -1.414024  +3.15  -14.91c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 09:23:35    90.521311  +3.89  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 446 09:24:16    77.243433  +3.83  -15.20c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 447 09:25:16   114.085010  +3.96  -14.73c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 448 09:26:46   114.131441  +3.96  -15.41c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 449 09:27:39    17.450099  +3.45  -15.59c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 09:28:24    -7.527049  +3.02  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 09:29:16    66.176048  +3.80  -15.27c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 09:30:02     3.036350  +3.27  -15.41c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 453 09:30:47     6.377012  +3.34  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 09:31:32   -15.030566  +2.71  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 455 09:32:17    -8.903897  +3.01  -15.39c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 456 09:34:30   200.274537  +4.23  -15.20c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 457 09:35:18   104.528775  +4.00  -14.92c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 458 09:36:03    33.606032  +3.63  -15.07c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 459 09:37:10    20.974696  +3.51  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 460 09:37:57    11.918478  +3.40  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 09:38:44   -10.486290  +2.91  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 09:39:28     5.434237  +3.29  -14.85c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 463 09:40:56   -12.249504  +2.90  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 464 09:41:40   121.651668  +4.01  -15.15c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 09:42:30     6.362875  +3.32  -15.26c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 466 09:44:01    -1.347263  +3.21  -15.56c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 09:44:46     5.280277  +3.34  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 09:45:30    -1.328053  +3.21  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 09:46:13    -5.768116  +3.14  -15.33c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 470 09:46:58     9.949380  +3.41  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 471 09:47:42     0.929728  +3.31  -15.58c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 09:48:24    16.864988  +3.54  -15.10c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 09:49:12    -2.853463  +3.20  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 09:51:01    14.474109  +3.52  -15.47c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 09:51:45    63.009045  +3.93  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 09:52:32    69.056662  +3.96  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 477 09:53:19    92.675112  +4.07  -15.18c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 09:54:07    94.816945  +4.08  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 09:55:32    31.276808  +3.72  -15.17c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 09:56:18     0.547485  +3.23  -15.18c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 481 09:57:01    15.460839  +3.55  -14.94c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 482 09:59:54     3.305498  +3.25  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 483 10:00:43    71.414098  +3.97  -15.43c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 484 10:01:30     6.805026  +3.28  -14.96c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 10:03:39    58.675604  +3.91  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 486 10:04:24    74.357748  +3.99  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 487 10:05:12    31.104317  +3.73  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 488 10:05:57    61.063537  +3.93  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 489 10:06:45     8.474967  +3.49  -15.30c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 10:07:33    76.776550  +4.01  -15.35c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 491 10:08:12    48.423761  +3.87  -15.43c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 10:08:58   233.852881  +4.42  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 493 10:09:44    46.015464  +3.87  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 494 10:10:30    14.191890  +3.61  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 495 10:11:14    29.450946  +3.76  -15.57c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 496 10:11:57    40.242557  +3.87  -15.60c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 10:12:40    18.771412  +3.63  -15.31c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 10:13:24    47.431674  +3.89  -15.45c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 10:14:17     7.007611  +3.48  -15.51c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 500 10:15:04     2.287251  +3.36  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 10:15:51    27.686294  +3.71  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 10:16:39    23.597655  +3.71  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 10:17:28    43.859063  +3.86  -15.45c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 504 10:18:14    18.289670  +3.65  -15.50c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 505 10:19:19  1495.218887  +5.26  -15.18c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 506 10:20:29    51.463508  +3.99  -14.80c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 507 10:21:17    29.535800  +3.81  -15.55c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 10:22:10    14.484037  +3.61  -15.31c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 509 10:23:12  1428.954676  +5.28  -15.41c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 510 10:24:23    35.023475  +3.92  -14.85c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 511 10:25:27  1709.542407  +5.26  -15.13c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 512 10:26:21    52.153146  +4.01  -14.80c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 513 10:27:52    31.912204  +3.83  -15.36c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 10:28:38    46.604298  +3.95  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 515 10:29:22    64.935243  +4.06  -15.27c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 10:30:34   431.327019  +4.73  -15.25c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 517 10:31:22   544.069061  +4.84  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 10:32:22   318.575502  +4.64  -14.91c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 10:33:16    -0.780209  +3.33  -15.34c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 520 10:34:07   323.093583  +4.66  -14.85c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 521 10:35:02   807.438365  +5.02  -15.17c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 522 10:35:58    45.577658  +3.93  -15.45c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 523 10:36:49    21.410538  +3.71  -15.42c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 524 10:37:36    18.982973  +3.66  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 525 10:38:34   885.469248  +5.09  -15.19c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 526 10:39:45    98.175866  +4.24  -14.91c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 10:41:05   804.579489  +5.07  -15.23c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 10:42:34    14.830826  +3.66  -14.78c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 10:43:37    34.444059  +3.90  -14.67c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 10:44:25    60.003163  +4.08  -15.20c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 10:45:16    60.606277  +4.06  -15.38c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 10:46:01    78.682489  +4.14  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 10:46:46   217.154281  +4.48  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 534 10:47:33    58.469393  +4.00  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 535 10:48:30   830.903385  +5.02  -14.85c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 536 10:49:10   149.696181  +4.36  -15.29c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 537 10:50:57     4.567475  +3.25  -15.29c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 538 10:52:16    15.629644  +3.64  -14.83c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 10:53:34    69.042449  +4.11  -14.71c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 540 10:54:27    15.580823  +3.73  -15.40c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 541 10:55:13   322.971612  +4.70  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 542 10:56:08   320.816695  +4.69  -15.33c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 543 10:57:20   237.034553  +4.56  -15.28c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 544 10:58:24    73.114125  +4.11  -14.73c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 545 10:59:12   345.863076  +4.70  -15.01c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 546 11:00:05   444.815695  +4.82  -15.32c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 547 11:00:46    21.145585  +3.80  -15.27c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 548 11:01:28   104.836191  +4.26  -15.27c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 549 11:02:37   129.481916  +4.31  -15.23c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 11:04:13   169.310026  +4.38  -15.32c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 551 11:05:41   200.356034  +4.47  -14.75c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 552 11:06:33   179.889022  +4.47  -15.22c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 553 11:07:30     6.473423  +3.60  -15.27c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 11:08:21   341.051858  +4.78  -15.25c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 555 11:09:24   354.656503  +4.81  -14.91c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 11:10:51   238.579137  +4.70  -14.61c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 11:11:43   218.518483  +4.65  -15.41c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 11:12:30   562.758373  +4.98  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 559 11:14:09    75.905340  +4.21  -14.78c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 560 11:15:22   431.787664  +4.81  -14.54c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 11:18:31    77.292684  +4.15  -14.82c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 562 11:19:35  1018.061536  +5.07  -14.85c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 11:21:00    14.050190  +3.64  -14.74c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 11:21:47    83.985880  +4.10  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 565 11:22:34    12.948867  +3.62  -15.17c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 566 11:24:02   331.989007  +4.58  -15.17c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 11:24:50   882.981713  +4.99  -15.44c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 568 11:25:37   158.435750  +4.32  -15.28c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 11:26:54    58.869206  +3.96  -15.17c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 570 11:28:24   289.819178  +4.53  -14.73c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 11:29:38   921.243576  +4.90  -15.41c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 11:31:05    14.127076  +3.55  -14.96c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 11:32:11    19.558045  +3.60  -14.73c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 11:32:55   203.290680  +4.34  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 575 11:33:38    68.875841  +3.97  -15.45c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 576 11:35:27   447.613345  +4.62  -14.98c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 577 11:36:14  1122.079073  +4.88  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 11:37:17   396.821231  +4.54  -15.49c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 579 11:38:01   523.492692  +4.64  -15.35c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 580 11:39:09    64.279375  +3.87  -15.28c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 581 11:39:50   165.378383  +4.19  -15.18c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 582 11:40:32    28.387677  +3.62  -15.11c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 11:41:16   -12.136668  +2.87  -15.47c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 584 11:42:20   153.270383  +4.21  -15.20c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 11:43:09   133.984877  +4.17  -15.22c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 11:43:52  1220.847904  +4.89  -15.32c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 11:45:21  1170.689297  +4.86  -14.72c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 11:46:10    47.774567  +3.75  -15.45c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 11:46:56   141.019483  +4.13  -15.23c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 11:47:42    -3.275318  +3.19  -15.42c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 591 11:48:32   178.617325  +4.19  -15.56c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 592 11:49:12   918.914920  +4.75  -15.33c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 11:50:02    80.773932  +3.87  -15.01c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 594 11:51:32    -7.566956  +3.00  -14.77c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 595 11:53:04   222.375147  +4.26  -15.17c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 596 11:54:14    50.098842  +3.72  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 597 11:55:19    31.436416  +3.59  -14.65c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 598 11:56:06    39.569534  +3.67  -14.97c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 599 11:57:30    67.480272  +3.84  -14.49c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 600 11:59:01   245.575124  +4.29  -15.42c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 601 12:00:30    10.827126  +3.42  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 602 12:01:56     7.899682  +3.35  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 603 12:03:08   182.584611  +4.18  -15.18c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 604 12:03:48   112.503767  +4.00  -15.23c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 605 12:04:37    28.407425  +3.58  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 606 12:05:52     9.699917  +3.34  -15.16c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 607 12:07:02   578.295542  +4.57  -15.18c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 608 12:07:51  2133.480050  +4.73  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 12:08:46    -0.610249  +3.13  -14.64c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 610 12:09:32   473.754730  +4.48  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 611 12:10:22   292.939933  +4.32  -15.50c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 12:11:26   224.838653  +4.21  -14.84c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 613 12:12:13    58.257194  +3.75  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 614 12:13:20     5.628723  +3.24  -15.46c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 615 12:14:07    63.237856  +3.77  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 616 12:14:52    -5.043227  +3.11  -15.33c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 617 12:15:58    59.283993  +3.76  -15.41c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 618 12:17:52    41.769266  +3.66  -15.40c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 12:18:37   -11.443991  +2.80  -15.42c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 620 12:19:24    43.434230  +3.71  -15.27c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 621 12:20:04   -11.418626  +3.05  -15.19c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 622 12:20:50    31.576455  +3.59  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 12:21:59    42.348918  +3.69  -15.06c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 12:22:41    -1.698731  +3.19  -15.46c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 625 12:25:11   170.542493  +4.16  -15.43c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 12:26:20   181.240967  +4.18  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 12:27:28   626.069008  +4.63  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 12:28:41    51.895406  +3.75  -14.89c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 629 12:30:05    20.548954  +3.52  -14.75c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 630 12:31:08   101.682262  +3.98  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 631 12:31:54    11.064039  +3.41  -15.49c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 12:33:23    17.353525  +3.49  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 633 12:34:51     2.985874  +3.29  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 12:35:59  1300.093096  +4.87  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 635 12:36:39   774.361580  +4.71  -15.38c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 636 12:38:22   490.804233  +4.58  -14.62c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 637 12:39:09    68.346888  +3.86  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 638 12:39:52   104.263813  +4.00  -15.17c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 639 12:40:54   414.871289  +4.48  -14.57c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 640 12:42:23   582.733571  +4.58  -14.84c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 12:43:23    91.524575  +3.92  -14.57c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 642 12:44:10   869.848579  +4.70  -15.01c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 643 12:44:54     1.920804  +3.26  -15.46c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 12:45:57   171.786659  +4.13  -15.22c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 645 12:46:40   301.048129  +4.34  -15.29c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 646 12:47:29   337.667629  +4.38  -14.92c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 12:48:13   373.118453  +4.43  -15.41c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 648 12:48:57    61.920419  +3.81  -15.13c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 649 12:49:39    40.554939  +3.71  -15.07c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 650 12:50:47   164.791017  +4.14  -14.88c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 651 12:52:30    42.233585  +3.64  -15.50c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 12:53:43     5.160787  +3.24  -14.74c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 653 12:54:56    -9.613955  +3.01  -14.50c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 12:55:42    58.071009  +3.79  -15.05c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 655 12:56:42    24.661681  +3.55  -15.22c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 12:57:26    21.908203  +3.53  -15.41c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 12:58:35    17.521081  +3.46  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 12:59:21    22.620534  +3.53  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 13:00:06    27.296837  +3.60  -15.40c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 13:00:52    -1.743453  +3.21  -15.09c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 13:01:35    43.652135  +3.73  -15.51c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 662 13:02:23   -13.472186  +2.80  -15.45c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 663 13:03:12    -4.956174  +3.15  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 664 13:03:59    36.978221  +3.72  -15.14c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 13:04:43   252.905371  +4.37  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 666 13:05:27    -6.066671  +3.05  -15.36c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 667 13:06:10     8.393413  +3.41  -15.26c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 668 13:06:54    28.223019  +3.64  -15.42c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 669 13:07:39     4.621021  +3.37  -15.11c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 13:08:22    18.750298  +3.55  -15.26c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 13:09:37    21.876843  +3.61  -15.50c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 672 13:10:24     6.828345  +3.40  -15.45c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 673 13:11:50     6.333699  +3.41  -15.38c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 674 13:12:36   372.932640  +4.55  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 675 13:14:04    28.067239  +3.69  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 676 13:15:10   440.173361  +4.62  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 677 13:15:56     8.852414  +3.45  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 678 13:17:10    55.206598  +3.88  -15.09c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 679 13:17:56    23.913672  +3.65  -15.29c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 680 13:18:54    11.350083  +3.50  -14.69c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 681 13:19:35   199.918541  +4.31  -15.46c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 13:20:24    21.860087  +3.62  -15.33c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 683 13:21:28   918.784354  +4.83  -15.14c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 684 13:22:12   316.385089  +4.48  -15.06c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 13:22:59   240.388267  +4.35  -15.33c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 686 13:23:48   114.102752  +4.08  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 687 13:25:01   241.606320  +4.38  -15.04c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 688 13:26:32    48.137630  +3.83  -14.39c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 13:27:20     7.978282  +3.45  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 690 13:28:06     5.458016  +3.44  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 691 13:28:55     5.468845  +3.42  -15.13c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 692 13:30:03    13.815795  +3.55  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 693 13:30:52    15.492552  +3.57  -15.51c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 694 13:31:33   261.423560  +4.48  -15.06c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 13:32:39    44.595937  +3.84  -14.86c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 13:33:48   764.165161  +4.84  -15.59c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 697 13:34:33    47.046912  +3.82  -15.14c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 698 13:35:39    17.883617  +3.59  -15.36c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 13:36:26    18.226049  +3.58  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 700 13:37:11    17.042331  +3.60  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 701 13:37:57    36.307219  +3.78  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 702 13:38:43     5.816959  +3.45  -15.10c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 13:39:51     8.261830  +3.50  -14.92c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 704 13:40:36     4.595181  +3.40  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 705 13:41:23     9.561324  +3.49  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 706 13:42:05    32.316366  +3.75  -15.46c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 707 13:43:09    58.643274  +3.89  -15.34c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 708 13:43:48    -5.911788  +3.19  -15.47c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 709 13:44:31    11.626219  +3.49  -15.00c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 13:45:16    36.078152  +3.72  -15.40c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 711 13:46:03     4.736935  +3.38  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 13:46:45   117.957361  +4.06  -15.35c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 713 13:47:51    68.004413  +3.85  -15.33c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 13:49:01    84.139406  +3.93  -15.58c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 715 13:49:52   -10.576176  +2.92  -14.59c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 716 13:50:38    40.090686  +3.72  -15.46c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 717 13:51:23   -10.875757  +2.91  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 718 13:52:04    23.200161  +3.62  -15.35c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 719 13:52:51     8.374015  +3.45  -15.25c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 13:53:33     1.110043  +3.30  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 721 13:54:21     6.117105  +3.45  -15.49c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 722 13:55:06   133.713619  +4.18  -15.32c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 13:55:50    63.501532  +3.93  -15.66c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 724 13:56:35    17.030659  +3.58  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 13:57:19     9.110107  +3.49  -15.09c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 726 13:58:06    25.359435  +3.69  -15.51c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 727 13:58:50   -10.152689  +3.00  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 728 13:59:38    33.315817  +3.77  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 729 14:00:25    52.908760  +3.90  -15.31c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 730 14:01:08     4.259099  +3.42  -15.24c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 731 14:01:49    25.627823  +3.69  -14.97c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 732 14:02:42  1906.841649  +5.21  -15.33c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 733 14:03:34    -2.090875  +3.09  -14.56c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 734 14:04:17     8.255065  +3.41  -15.59c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 14:05:01    33.652524  +3.75  -15.40c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 14:05:48    26.513119  +3.70  -15.25c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 14:06:32     8.536327  +3.50  -15.15c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 738 14:07:21    -6.212766  +3.19  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 14:08:05    -8.141148  +3.12  -15.35c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 14:08:48    19.360077  +3.63  -15.21c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 14:09:35     6.938243  +3.42  -15.47c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 742 14:10:25     4.985068  +3.36  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 743 14:11:14    -0.485078  +3.31  -15.07c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 744 14:12:03    24.093487  +3.58  -15.31c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 745 14:12:48    26.197826  +3.58  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 14:13:36    -1.170903  +3.17  -15.02c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 14:14:23    -6.165671  +3.06  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 748 14:15:15    14.977720  +3.47  -15.06c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 749 14:16:06    30.174606  +3.61  -15.40c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 750 14:16:57    13.737836  +3.46  -15.03c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 14:17:50     1.802908  +3.22  -15.27c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 14:18:42    28.178753  +3.61  -15.33c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 753 14:19:33    10.048729  +3.36  -15.35c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 754 14:20:34  1987.825440  +5.23  -15.36c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 755 14:21:59    74.981339  +4.05  -14.54c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 756 14:22:49    27.690561  +3.70  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 757 14:23:58   259.416449  +4.52  -14.68c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 758 14:25:21   410.961967  +4.66  -14.65c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 759 14:26:29   525.209070  +4.71  -14.89c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 760 14:27:36   487.448899  +4.65  -14.74c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 14:28:20   982.238076  +4.82  -15.15c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 14:29:02   360.354519  +4.47  -15.23c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 14:32:35   105.834493  +3.98  -15.34c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 764 14:33:52    61.468046  +3.77  -15.05c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 765 14:35:07   150.899465  +4.10  -14.61c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 14:36:43   311.232178  +4.41  -14.78c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 14:37:51   479.018552  +4.56  -14.78c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 768 14:39:01   116.040713  +4.03  -15.03c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 769 14:40:06    43.285065  +3.70  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 14:40:54   249.151686  +4.31  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 14:42:24   120.730357  +4.02  -15.12c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 772 14:43:34    30.319735  +3.61  -15.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 773 14:44:21    -2.171555  +3.23  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 774 14:45:03   801.639402  +4.73  -15.45c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 14:46:38    34.573706  +3.58  -15.51c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 14:47:45     4.986543  +3.31  -14.73c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 14:48:30    52.473005  +3.79  -15.48c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 778 14:49:15   274.260280  +4.37  -15.06c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 779 14:49:56    77.522401  +3.91  -15.32c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 780 14:51:00    19.072416  +3.52  -15.26c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 781 14:51:45    -6.742494  +3.08  -15.61c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 782 14:52:28   127.560411  +4.09  -15.24c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 14:53:09   274.625453  +4.38  -15.33c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 14:53:57   786.602960  +4.75  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 14:54:37   381.844625  +4.49  -15.24c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 786 14:55:45  1010.531999  +4.82  -15.39c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 14:56:29   121.649444  +4.05  -15.49c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 14:57:15   267.506427  +4.35  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 14:58:01   108.862237  +4.01  -15.24c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 14:58:48    46.396661  +3.76  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 14:59:34    -9.185948  +2.98  -15.59c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 15:00:22   386.354627  +4.53  -15.26c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 793 15:01:36   264.535522  +4.40  -15.15c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 15:02:39   107.830313  +4.05  -14.69c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 15:03:22    20.711539  +3.55  -15.25c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 15:04:10   207.912761  +4.29  -15.13c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 797 15:04:57    39.746860  +3.71  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 798 15:06:10   221.438447  +4.31  -15.41c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 15:07:16    65.471199  +3.87  -14.77c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 15:08:03   184.476535  +4.23  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 15:08:51   280.803494  +4.35  -15.39c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 15:10:00    -4.384877  +3.07  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 15:10:59    34.827622  +3.66  -14.58c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 15:11:42    21.528747  +3.56  -15.03c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 15:12:41    28.007450  +3.64  -15.00c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 15:13:27    10.199223  +3.43  -15.14c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 15:14:13    82.709925  +3.98  -15.49c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 15:14:59    44.285894  +3.80  -15.04c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 15:15:41    19.263421  +3.58  -14.95c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 15:16:26    31.256047  +3.71  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 15:17:12    13.869066  +3.51  -15.37c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 15:18:16  1845.670321  +5.25  -15.28c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 15:19:19   133.081104  +4.31  -14.76c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 15:20:03    -1.232300  +3.30  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 15:21:09    77.899390  +4.08  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 15:22:20  1777.166706  +5.22  -15.53c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 15:25:55   341.878270  +4.58  -15.16c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 15:27:34   191.908810  +4.35  -14.72c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 15:28:41    90.346653  +4.07  -14.65c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 15:29:55    74.651032  +4.00  -14.92c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 15:31:02    71.142149  +3.97  -15.12c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 15:32:04   167.374830  +4.29  -14.68c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 15:33:07   143.565780  +4.24  -14.74c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 15:34:23     6.807566  +3.36  -14.85c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 15:35:41   385.331051  +4.62  -14.92c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 15:36:52   100.259182  +4.12  -14.96c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 15:38:05    21.855265  +3.60  -14.85c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 15:39:31    33.520719  +3.74  -14.46c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 15:40:35    33.617951  +3.73  -14.53c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 15:41:38    63.218596  +3.97  -14.78c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 15:42:50    70.192563  +3.99  -15.08c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 832 15:43:51    16.741606  +3.60  -14.99c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 833 15:44:53    40.052500  +3.88  -14.72c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 15:46:23    22.085381  +3.68  -14.58c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 15:47:42   169.934873  +4.37  -14.63c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 15:48:49    89.788580  +4.10  -14.91c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 15:49:55   166.837985  +4.32  -14.78c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 838 15:50:54   295.809898  +4.55  -14.55c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 15:52:12  1749.857356  +5.07  -14.82c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 15:53:15   128.419910  +4.17  -14.90c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 15:54:09    51.807176  +3.86  -15.44c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 15:55:15   151.056506  +4.27  -15.08c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 15:56:16    89.051717  +4.06  -14.74c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 15:57:30   522.701835  +4.69  -14.77c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 15:58:47   654.090623  +4.74  -14.79c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 15:59:56    25.512286  +3.62  -14.67c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 16:01:02    97.307988  +4.03  -14.69c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 16:02:05   139.574892  +4.19  -14.83c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 16:03:09    21.550560  +3.57  -14.70c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 16:04:25   501.551193  +4.68  -14.84c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 16:05:33   865.832091  +4.83  -14.98c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 16:07:39   196.436604  +4.26  -14.92c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 853 16:08:53   241.245921  +4.37  -14.88c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 16:10:12   444.919636  +4.65  -14.93c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 855 16:11:13    41.663352  +3.77  -14.64c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 856 16:12:11    85.371727  +4.04  -14.82c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 16:13:13    24.745275  +3.66  -15.34c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 16:14:11   269.000295  +4.48  -14.91c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 16:15:05    10.118765  +3.48  -14.47c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 16:15:52    11.632538  +3.52  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 16:17:03     6.666117  +3.41  -14.93c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 16:18:44    -8.619135  +2.97  -14.73c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 16:19:47    27.856815  +3.71  -14.82c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 16:20:49     7.101618  +3.46  -14.51c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 16:21:32   219.783763  +4.38  -15.49c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 16:22:17   132.430701  +4.18  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 16:23:20   725.995156  +4.78  -14.96c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 868 16:24:12   105.737407  +4.04  -15.40c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 869 16:25:41    48.173689  +3.77  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 16:26:25   275.821276  +4.38  -15.54c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 16:27:36   183.236328  +4.20  -15.36c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 16:28:43   320.574685  +4.40  -14.78c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 16:29:41   545.911168  +4.62  -14.98c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 16:30:39   294.123175  +4.36  -14.73c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 16:31:42   100.627405  +3.95  -14.58c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 876 16:32:28   146.718053  +4.09  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 16:34:00    98.075858  +3.94  -14.91c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 878 16:35:06   329.012814  +4.37  -14.96c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 16:36:08   451.796588  +4.50  -15.23c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 880 16:37:21    54.566181  +3.75  -14.66c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 881 16:38:21    49.861189  +3.72  -14.79c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 16:39:11   187.075462  +4.21  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 16:40:16    58.344014  +3.80  -14.85c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 16:41:24    59.241366  +3.82  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 16:42:39   279.201230  +4.36  -14.83c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 16:43:49   201.491242  +4.26  -14.83c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 887 16:44:36    40.118415  +3.69  -14.94c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 888 16:45:42     9.252723  +3.39  -14.66c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 889 16:46:28    43.962201  +3.72  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 890 16:47:19   229.375254  +4.28  -15.28c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 16:48:03    14.530594  +3.43  -15.48c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 892 16:49:11     7.693142  +3.29  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 893 16:50:19   136.643205  +4.10  -14.85c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 894 16:51:12   168.102769  +4.17  -15.34c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 895 16:52:18    33.326953  +3.65  -14.80c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 896 16:53:09   143.560990  +4.15  -15.52c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 16:54:15   169.415366  +4.21  -15.10c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 898 16:55:18    52.099886  +3.81  -14.83c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 899 16:56:17    58.724273  +3.87  -15.26c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 900 16:57:20    -3.986889  +3.13  -15.43c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 16:58:14     2.213935  +3.30  -14.49c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 902 16:59:02    32.707574  +3.70  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 903 16:59:46   123.833409  +4.12  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 904 17:00:32   313.946670  +4.48  -15.01c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 905 17:01:41     8.776663  +3.40  -15.34c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 906 17:02:32   101.322433  +4.07  -15.12c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 907 17:03:18     0.492418  +3.31  -15.43c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 908 17:04:07     1.532785  +3.33  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 909 17:04:52   124.879120  +4.18  -15.40c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 910 17:05:45    19.078535  +3.61  -14.94c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 911 17:06:29    15.490556  +3.57  -15.08c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 17:07:17    15.186771  +3.57  -15.04c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 17:08:01    18.076852  +3.59  -15.35c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 17:08:53    17.526247  +3.58  -15.33c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 915 17:09:40    -1.187513  +3.20  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 17:10:25    -2.306778  +3.16  -15.45c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 917 17:11:12    17.019870  +3.55  -15.12c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 17:12:18  1820.252611  +5.27  -15.14c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 17:13:18    19.192600  +3.65  -14.89c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 920 17:14:14  2142.218930  +5.19  -15.27c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 921 17:15:12    12.112240  +3.42  -14.79c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 17:15:58    17.429634  +3.54  -15.32c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 17:16:43     7.484610  +3.40  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 924 17:17:29     0.936398  +3.20  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 17:18:25  2277.506445  +5.16  -15.55c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 926 17:19:23     0.135271  +3.11  -14.56c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 17:20:09    36.682742  +3.70  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 928 17:21:11    77.760230  +3.96  -15.46c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 929 17:22:47    22.049661  +3.49  -15.40c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 930 17:23:55    14.024354  +3.45  -14.41c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 931 17:24:41    28.891033  +3.63  -15.41c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 932 17:25:29     3.754952  +3.28  -15.45c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 933 17:26:13    53.522794  +3.81  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 17:26:57     5.271551  +3.30  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 935 17:27:42    45.612051  +3.73  -15.17c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 936 17:28:25    -0.706434  +3.14  -15.20c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 937 17:29:15    -2.747739  +3.08  -15.19c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 938 17:30:03    -1.987975  +3.09  -15.10c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 939 17:30:50     7.171189  +3.28  -15.23c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 940 17:31:44     4.094701  +3.23  -15.32c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 941 17:32:31    73.192886  +3.87  -15.05c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 17:33:27    39.366295  +3.66  -15.39c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 943 17:34:20    15.697395  +3.41  -15.02c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 944 17:35:17   113.010106  +4.04  -15.32c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 945 17:36:06    41.098707  +3.68  -15.52c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 946 17:36:53    13.299218  +3.38  -15.24c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 947 17:38:24     6.480452  +3.27  -15.05c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 948 17:39:18     3.664204  +3.24  -15.55c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 17:40:03    33.255474  +3.64  -15.05c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 17:40:52    97.799107  +4.00  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 951 17:41:37    29.999763  +3.60  -15.45c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 952 17:42:28    -6.150716  +2.95  -15.36c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 953 17:43:57    28.334665  +3.60  -15.43c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 954 17:44:52     5.396696  +3.31  -15.06c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 955 17:45:43    88.706484  +3.98  -15.45c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 956 17:46:52    54.489284  +3.83  -15.11c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 17:47:42    25.431352  +3.61  -15.17c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 958 17:48:32    20.401774  +3.55  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 17:49:20    40.797143  +3.74  -15.35c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 960 17:50:15     6.119937  +3.32  -15.31c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 961 17:51:03     5.862031  +3.30  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 17:51:58  2255.199355  +5.13  -15.30c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 963 17:53:01    13.432586  +3.41  -14.73c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 964 17:53:44    86.593431  +3.98  -15.19c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 965 17:54:33    67.313602  +3.89  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 966 17:55:25    45.788055  +3.75  -14.77c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 967 17:58:22   200.201843  +4.30  -15.32c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 968 17:59:52  1431.549332  +5.08  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 969 18:00:54   141.658544  +4.21  -14.72c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 970 18:01:40   187.303273  +4.31  -15.51c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 971 18:02:40  1068.812214  +4.93  -15.09c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 972 18:03:25   181.551203  +4.27  -15.05c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 18:04:28  1740.516476  +5.08  -14.56c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 18:06:19   792.847307  +4.89  -15.24c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 975 18:07:46   288.157866  +4.54  -14.66c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 976 18:09:36   549.074769  +4.74  -14.48c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 977 18:11:12   333.873144  +4.60  -14.87c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 18:11:59    60.818577  +3.95  -15.29c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 979 18:13:08   428.393648  +4.73  -14.70c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 980 18:14:12   459.192854  +4.75  -14.95c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 981 18:15:11   469.265946  +4.79  -15.06c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 982 18:16:28   643.103288  +5.00  -15.02c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 983 18:17:39   535.929041  +4.90  -14.79c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 984 18:18:57   253.802062  +4.62  -14.79c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 985 18:20:39   909.812984  +5.06  -14.79c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 18:21:45   554.310174  +4.94  -14.61c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 18:23:06   100.236310  +4.26  -15.03c   -2.0000          37
MOM has detected variational collapse, occupied orbitals have changed
iter: 988 18:24:14    26.222472  +3.80  -14.67c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 18:25:29   116.284690  +4.30  -14.96c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 990 18:26:37   149.353680  +4.42  -15.15c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 991 18:27:44   291.100744  +4.69  -14.74c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 18:29:07    92.883846  +4.24  -14.66c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 18:30:15   588.514835  +5.01  -14.94c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 994 18:31:00   182.626969  +4.53  -15.22c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 995 18:32:09   104.504975  +4.31  -14.71c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 996 18:33:11   420.539696  +4.79  -14.77c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 997 18:34:19   436.691104  +4.88  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 18:35:42    89.232935  +4.24  -15.43c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 18:37:12   222.266834  +4.59  -14.87c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 18:38:31   178.220045  +4.49  -14.61c   -2.0000          20
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


