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

User:   aes38@compute-41
Date:   Sat Sep 30 00:49:16 2023
Arch:   x86_64
Pid:    3288536
CWD:    /users/home/aes38/Rydberg/new/ethylene/Csic/thirdext
Python: 3.9.6
gpaw:   /users/home/aes38/new-gmf-gpaw/gpaw (f5d5d6d24c)
_gpaw:  /users/home/aes38/new-gmf-gpaw/build/lib.linux-x86_64-3.9/
        _gpaw.cpython-39-x86_64-linux-gnu.so (7a0e975e9f)
ase:    /hpcapps/source/ase_dev/ase (version 3.23.0b1-d4c62f2276)
numpy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/numpy (version 1.22.4)
scipy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/scipy (version 1.8.1)
libxc:  5.1.6
units:  Angstrom and eV
cores: 64
OpenMP: False
OMP_NUM_THREADS: 1

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

Initialize ...

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

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

Reference energy: -2105.216880  # eV

Spin-polarized calculation.
Magnetic moment: 0.000000

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

Symmetries present (total): 1

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

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

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

Occupation numbers: # Uniform distribution of occupation numbers 

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

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

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

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

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 183.62 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: 273.34 MiB
  Calculator: 42.39 MiB
    Density: 11.28 MiB
      Arrays: 11.20 MiB
      Localized functions: 0.08 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 8.33 MiB
      Arrays: 8.33 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 22.77 MiB
      Arrays psit_nG: 19.69 MiB
      Eigensolver: 3.08 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

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

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

... initialized

Initializing position-dependent things.

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

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

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

  Lengths:  20.000000  21.847084  22.456465
  Angles:   90.000000  90.000000  90.000000

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

Initial localization: ...
Pipek-Mezey localization started
Pipek-Mezey localization finished
Done
     iter     time        total  log10-change:  magmom         iter
                         energy  eigst   dens             inner loop
iter:   1 00:56:05   -21.365068  +0.25  -4.26c   -2.0000          57
iter:   2 00:57:48   -21.789255  -0.60  -2.86    -2.0000          51
iter:   3 00:59:20   -21.808154  -0.88  -4.00c   -2.0000          44
iter:   4 01:00:25   -21.816866  -1.21  -7.14c   -2.0000          32
iter:   5 01:01:57   -21.817771  -0.15  -4.91c   -2.0000          45
iter:   6 01:03:33   -21.676711  +1.51  -2.97    -2.0000          47
iter:   7 01:04:47   -21.823034  -0.79  -4.87c   -2.0000          36
iter:   8 01:05:23   -21.824784  -1.66  -5.18c   -2.0000          18
iter:   9 01:06:42   -21.824933c -0.53  -4.82c   -2.0000          39
iter:  10 01:08:13   -21.810855  +0.55  -5.21c   -2.0000          45
iter:  11 01:08:51   -21.826160  -1.30  -5.67c   -2.0000          18
iter:  12 01:09:28   -21.826413  -2.26  -6.47c   -2.0000          18
iter:  13 01:10:34   -21.826459c -1.85  -4.37c   -2.0000          32
iter:  14 01:11:59   -21.826370c -1.43  -4.14c   -2.0000          41
iter:  15 01:12:28   -21.826541c -2.60  -6.16c   -2.0000          14
iter:  16 01:13:55   -21.826557c -2.99  -4.50c   -2.0000          41
iter:  17 01:15:24   -21.826440c -1.52  -3.90    -2.0000          43
iter:  18 01:15:29   -21.826566c -2.77  -4.15c   -2.0000           2
iter:  19 01:16:40   -21.826576c -3.33  -5.96c   -2.0000          34
iter:  20 01:18:08   -21.826578c -3.19  -3.68    -2.0000          42
iter:  21 01:19:47   -21.826508c -1.75  -5.83c   -2.0000          47
iter:  22 01:19:51   -21.826575c -2.63  -4.45c   -2.0000           2
iter:  23 01:21:24   -21.826587c -3.11  -5.14c   -2.0000          45
iter:  24 01:25:00   -21.800913  -0.39  -2.50    -2.0000         104
iter:  25 01:28:47   -21.826369  -2.13  -3.94    -2.0000         113
iter:  26 01:32:32   -21.815710  +0.25  -2.22    -2.0000         112
iter:  27 01:40:03   -21.889487  -0.35  -2.15    -2.0000         113
iter:  28 01:42:12   -22.152049  +1.86  -2.02    -2.0000          67
MOM has detected variational collapse, occupied orbitals have changed
iter:  29 01:43:44   -20.715340  +0.18  -14.52c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  30 01:46:08   -21.800020  -0.76  -4.69c   -2.0000          16
iter:  31 01:47:02   -21.813165  +0.45  -4.78c   -2.0000          28
iter:  32 01:47:41   -21.784087  +0.95  -4.74c   -2.0000          19
iter:  33 01:48:15   -21.826808  -0.57  -4.47c   -2.0000          17
iter:  34 01:48:47   -21.828576  -2.53  -4.93c   -2.0000          15
iter:  35 01:49:29   -21.801523  +0.79  -4.19c   -2.0000          21
iter:  36 01:50:21   -21.711586  +1.40  -5.69c   -2.0000          27
iter:  37 01:51:10   -21.712043  +1.40  -3.85    -2.0000          26
iter:  38 01:52:15   -21.689108  +1.28  -4.66c   -2.0000          33
iter:  39 01:53:18   -21.384130  +2.03  -3.70    -2.0000          33
iter:  40 01:53:59   -21.837527  -0.20  -5.34c   -2.0000          21
iter:  41 01:54:33   -21.822306  +0.83  -3.17    -2.0000          17
iter:  42 01:55:10   -21.853455  -0.01  -4.90c   -2.0000          19
iter:  43 01:55:45   -21.834779  +0.87  -4.05c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter:  44 01:57:20   -21.483287  +0.20  -4.39c   -2.0000          20
iter:  45 01:58:26   -21.580157  +0.18  -4.24c   -2.0000          34
iter:  46 01:59:30   -21.015347  +2.17  -4.53c   -2.0000          33
iter:  47 02:02:54   -21.329210  +1.90  -2.06    -2.0000         100
MOM has detected variational collapse, occupied orbitals have changed
iter:  48 02:03:54   -21.639016  +1.54  -14.31c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  49 02:06:13   -21.708430  +0.78  -4.33c   -2.0000          26
iter:  50 02:07:05   -21.693886  +1.12  -4.99c   -2.0000          26
iter:  51 02:08:09   -21.764279  +0.61  -5.17c   -2.0000          32
iter:  52 02:09:48   -21.442427  +1.62  -4.82c   -2.0000          48
iter:  53 02:10:49   -21.751676  +0.58  -4.41c   -2.0000          30
iter:  54 02:12:06   -21.793745  +0.11  -4.02c   -2.0000          38
iter:  55 02:13:04   -21.795859  +0.02  -4.39c   -2.0000          29
iter:  56 02:13:41   -21.818136  +0.06  -1.86    -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  57 02:16:08   -21.732656  +0.78  -4.46c   -2.0000          26
iter:  58 02:17:16   -21.761620  +0.80  -4.53c   -2.0000          34
iter:  59 02:18:15   -21.788137  +0.55  -5.09c   -2.0000          30
iter:  60 02:19:03   -21.789302  +0.61  -4.72c   -2.0000          22
iter:  61 02:19:54   -21.807974  -0.35  -4.99c   -2.0000          25
iter:  62 02:20:40   -21.809982  -0.53  -4.54c   -2.0000          23
iter:  63 02:21:24   -21.807230c +0.02  -3.76    -2.0000          22
iter:  64 02:22:17   -21.812277c -0.90  -4.75c   -2.0000          26
iter:  65 02:23:24   -21.806248  +0.19  -5.28c   -2.0000          33
iter:  66 02:24:05   -21.813978  -1.19  -4.72c   -2.0000          20
iter:  67 02:24:46   -21.814229  -1.20  -4.25c   -2.0000          20
iter:  68 02:25:44   -21.814365c -1.10  -4.14c   -2.0000          28
iter:  69 02:26:25   -21.810596c -0.06  -5.28c   -2.0000          20
iter:  70 02:27:04   -21.814813c -1.88  -5.08c   -2.0000          19
iter:  71 02:27:31   -21.814891c -3.42  -3.58    -2.0000          13
iter:  72 02:28:07   -21.814858c -1.93  -3.32    -2.0000          17
iter:  73 02:28:43   -21.814825c -1.63  -4.32c   -2.0000          17
iter:  74 02:29:00   -21.814771c -1.45  -4.77c   -2.0000           8
iter:  75 02:29:27   -21.814953c -3.27  -4.58c   -2.0000          13
iter:  76 02:29:42   -21.814956c -3.00  -4.55c   -2.0000           7
iter:  77 02:30:16   -21.814962c -2.77  -4.10c   -2.0000          16
iter:  78 02:30:55   -21.814886c -1.80  -4.63c   -2.0000          19
iter:  79 02:31:10   -21.814967c -4.06  -4.50c   -2.0000           7
iter:  80 02:31:41   -21.814972c -3.29  -4.82c   -2.0000          15
iter:  81 02:31:46   -21.814973c -3.45  -4.80c   -2.0000           2
iter:  82 02:32:13   -21.814960c -2.51  -4.84c   -2.0000          13
iter:  83 02:32:30   -21.814965c -2.63  -4.79c   -2.0000           8
iter:  84 02:32:35   -21.814977c -4.54  -4.97c   -2.0000           2
iter:  85 02:32:50   -21.814977c -5.48  -4.93c   -2.0000           7
iter:  86 02:33:26   -21.814972c -3.84  -4.18c   -2.0000          17
iter:  87 02:33:41   -21.814972c -3.71  -4.72c   -2.0000           7
iter:  88 02:34:04   -21.814960c -2.96  -4.22c   -2.0000          11
iter:  89 02:34:23   -21.814957c -2.57  -4.73c   -2.0000           9
iter:  90 02:35:01   -21.814971c -2.81  -3.95    -2.0000          18
iter:  91 02:35:18   -21.814975c -3.57  -4.92c   -2.0000           8
iter:  92 02:35:35   -21.814978c -3.83  -4.64c   -2.0000           8
iter:  93 02:35:52   -21.814977c -3.87  -4.70c   -2.0000           8
iter:  94 02:36:07   -21.814978c -4.32  -4.58c   -2.0000           7
iter:  95 02:36:24   -21.814977c -3.88  -4.67c   -2.0000           8
iter:  96 02:36:43   -21.814978c -4.84  -4.95c   -2.0000           9
iter:  97 02:37:04   -21.814977c -3.89  -5.02c   -2.0000          10
iter:  98 02:37:33   -21.814962c -2.81  -4.00    -2.0000          14
iter:  99 02:38:40   -21.812913c -0.73  -4.58c   -2.0000          34
iter: 100 02:39:09   -21.813548c -0.88  -4.15c   -2.0000          14
iter: 101 02:40:02   -21.811023c -0.48  -5.85c   -2.0000          27
iter: 102 02:41:33   -21.589122  +0.82  -3.90    -2.0000          48
iter: 103 02:42:56   -21.779755  +0.30  -4.18c   -2.0000          44
iter: 104 02:44:01   -21.707178  +0.71  -5.40c   -2.0000          34
iter: 105 02:44:51   -21.730183  +0.57  -5.08c   -2.0000          25
iter: 106 02:45:56   -19.271143  +2.25  -1.97    -2.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 107 02:49:14   -21.629767  +0.93  -4.16c   -2.0000          39
iter: 108 02:51:18   -21.787912  +0.38  -3.69    -2.0000          64
iter: 109 02:54:59   -22.659391  +0.57  -2.23    -2.0000         109
MOM has detected variational collapse, occupied orbitals have changed
iter: 110 02:59:12   -20.916759  +0.58  -14.82c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 111 03:00:04   -20.240709  +2.55  -15.42c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 03:00:49   -20.816292  +2.17  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 113 03:02:32   -22.234603  +1.03  -15.65c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 114 03:03:13   -20.028087  +1.37  -15.11c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 03:03:53   -20.944555  +2.16  -15.40c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 03:04:38   -20.860321  +2.28  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 117 03:05:44   -21.409697  +1.85  -15.10c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 118 03:06:29   -22.050549  +1.76  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 03:07:15   -21.715619  +1.88  -15.44c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 03:08:02   -21.465618  +1.89  -15.13c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 121 03:12:16   -21.899583  +0.90  -1.99    -2.0000          83
MOM has detected variational collapse, occupied orbitals have changed
iter: 122 03:15:16   -22.294481  +2.08  -14.75c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 03:15:59   -21.386898  +1.80  -15.27c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 124 03:16:47   -21.738221  +1.75  -15.42c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 03:18:56   -22.284026  +1.59  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 03:19:42   -21.440931  +2.20  -15.39c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 03:20:25   -21.729160  +1.48  -15.40c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 128 03:21:13   -21.720904  +1.57  -15.52c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 129 03:24:03   -21.750255  +0.49  -5.03c   -2.0000          40
iter: 130 03:25:00   -21.777147  +0.24  -3.99    -2.0000          28
iter: 131 03:26:29   -21.805867  -0.27  -5.42c   -2.0000          45
iter: 132 03:27:51   -21.791667  +0.46  -3.81    -2.0000          40
iter: 133 03:28:32   -21.808687  -0.34  -4.81c   -2.0000          19
iter: 134 03:29:36   -21.811904  -0.90  -4.01c   -2.0000          31
iter: 135 03:30:33   -21.812079c -0.79  -5.43c   -2.0000          28
iter: 136 03:31:45   -21.809664c -0.26  -5.01c   -2.0000          37
iter: 137 03:32:48   -21.806194c -0.03  -4.44c   -2.0000          31
iter: 138 03:33:47   -21.814529  -1.87  -3.48    -2.0000          29
iter: 139 03:34:24   -21.814742  -3.00  -4.71c   -2.0000          18
iter: 140 03:35:19   -21.814658c -1.53  -4.86c   -2.0000          27
iter: 141 03:35:56   -21.811072c -0.28  -5.24c   -2.0000          18
iter: 142 03:36:29   -21.814840c -1.94  -6.22c   -2.0000          16
iter: 143 03:36:52   -21.814941c -3.37  -5.11c   -2.0000          11
iter: 144 03:37:16   -21.814919c -2.11  -4.84c   -2.0000          11
iter: 145 03:37:39   -21.814951c -2.27  -4.70c   -2.0000          11
iter: 146 03:38:27   -21.814425c -1.05  -4.76c   -2.0000          23
iter: 147 03:39:17   -21.815002c -3.41  -4.03c   -2.0000          24
iter: 148 03:39:34   -21.815005c -3.69  -5.39c   -2.0000           8
iter: 149 03:40:18   -21.814985c -2.69  -4.84c   -2.0000          21
iter: 150 03:40:37   -21.814994c -2.92  -3.98    -2.0000           9
iter: 151 03:41:12   -21.815002c -2.85  -5.20c   -2.0000          17
iter: 152 03:41:29   -21.815013c -3.70  -4.86c   -2.0000           8
iter: 153 03:41:46   -21.815010c -3.09  -4.78c   -2.0000           8
iter: 154 03:42:01   -21.815011c -3.13  -4.87c   -2.0000           7
iter: 155 03:42:26   -21.814973c -2.19  -5.22c   -2.0000          12
iter: 156 03:42:43   -21.815019c -3.98  -5.04c   -2.0000           8
iter: 157 03:43:00   -21.815020c -3.73  -5.57c   -2.0000           8
iter: 158 03:43:23   -21.815014c -2.92  -5.07c   -2.0000          11
iter: 159 03:43:55   -21.815012c -2.76  -5.06c   -2.0000          15
iter: 160 03:44:30   -21.814998c -2.48  -4.25c   -2.0000          17
iter: 161 03:45:27   -21.814989c -2.93  -4.11c   -2.0000          28
iter: 162 03:46:22   -21.814820c -1.98  -4.69c   -2.0000          27
iter: 163 03:47:08   -21.814712c -1.59  -5.14c   -2.0000          23
iter: 164 03:48:06   -21.814381c -1.21  -5.74c   -2.0000          29
iter: 165 03:49:23   -21.813773c -0.80  -2.82    -2.0000          39
iter: 166 03:51:07   -21.813500c -1.22  -4.83c   -2.0000          52
iter: 167 03:54:12   -21.818287c -0.30  -1.85    -2.0000          92
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 03:57:06   -21.790289  -0.53  -3.34    -2.0000          35
iter: 169 03:59:01   -21.749695  +1.15  -5.52c   -2.0000          57
iter: 170 04:00:26   -21.774772  +0.95  -3.70    -2.0000          42
iter: 171 04:01:27   -21.812231  -0.73  -4.22c   -2.0000          30
iter: 172 04:02:06   -21.813364  -2.13  -4.77c   -2.0000          19
iter: 173 04:03:12   -21.812956c -0.62  -4.67c   -2.0000          34
iter: 174 04:04:09   -21.813309c -0.65  -5.19c   -2.0000          29
iter: 175 04:05:27   -21.809459c +0.04  -4.45c   -2.0000          40
iter: 176 04:06:21   -21.814588c -1.84  -4.30c   -2.0000          26
iter: 177 04:07:05   -21.814734c -2.20  -5.27c   -2.0000          21
iter: 178 04:07:59   -21.814743c -1.56  -4.74c   -2.0000          27
iter: 179 04:08:51   -21.813706c -0.59  -5.46c   -2.0000          25
iter: 180 04:09:38   -21.814819c -1.79  -4.87c   -2.0000          22
iter: 181 04:10:21   -21.814909c -2.89  -4.47c   -2.0000          21
iter: 182 04:10:44   -21.814907c -2.27  -4.80c   -2.0000          11
iter: 183 04:11:27   -21.814894c -1.98  -4.35c   -2.0000          21
iter: 184 04:12:11   -21.814589c -1.07  -5.39c   -2.0000          21
iter: 185 04:12:57   -21.814957c -3.46  -4.68c   -2.0000          22
iter: 186 04:13:11   -21.814960c -3.88  -4.84c   -2.0000           7
iter: 187 04:13:35   -21.814955c -2.51  -5.26c   -2.0000          11
iter: 188 04:13:58   -21.814883c -1.70  -5.15c   -2.0000          11
iter: 189 04:14:15   -21.814965c -2.81  -4.87c   -2.0000           8
iter: 190 04:14:32   -21.814973c -4.16  -5.04c   -2.0000           8
iter: 191 04:14:49   -21.814973c -3.15  -5.02c   -2.0000           8
iter: 192 04:15:02   -21.814972c -2.96  -3.83    -2.0000           6
iter: 193 04:15:20   -21.814901c -1.75  -4.70c   -2.0000           9
iter: 194 04:15:43   -21.814979c -4.05  -4.70c   -2.0000          10
iter: 195 04:15:58   -21.814979c -4.63  -5.16c   -2.0000           7
iter: 196 04:16:14   -21.814979c -3.43  -5.02c   -2.0000           8
iter: 197 04:16:36   -21.814974c -2.92  -4.62c   -2.0000          10
iter: 198 04:16:53   -21.814980c -4.00  -4.83c   -2.0000           8
iter: 199 04:17:16   -21.814980c -3.48  -4.90c   -2.0000          11
iter: 200 04:17:33   -21.814978c -3.19  -4.71c   -2.0000           8
iter: 201 04:17:59   -21.814970c -2.70  -4.76c   -2.0000          13
iter: 202 04:18:22   -21.814966c -2.57  -5.09c   -2.0000          11
iter: 203 04:18:49   -21.814976c -2.85  -4.84c   -2.0000          13
iter: 204 04:19:12   -21.814975c -2.71  -4.80c   -2.0000          11
iter: 205 04:19:33   -21.814967c -2.36  -5.03c   -2.0000          10
iter: 206 04:19:50   -21.814984c -3.43  -4.93c   -2.0000           8
iter: 207 04:20:07   -21.814986c -4.33  -5.39c   -2.0000           8
iter: 208 04:20:30   -21.814986c -4.08  -5.17c   -2.0000          10
iter: 209 04:20:51   -21.814983c -3.11  -4.98c   -2.0000          10
iter: 210 04:21:26   -21.814977c -2.76  -5.15c   -2.0000          17
iter: 211 04:21:56   -21.814934c -1.99  -4.14c   -2.0000          15
iter: 212 04:22:15   -21.814973c -2.80  -5.22c   -2.0000           9
iter: 213 04:22:39   -21.814974c -2.49  -4.63c   -2.0000          12
iter: 214 04:23:00   -21.814981c -2.72  -4.59c   -2.0000          10
iter: 215 04:23:26   -21.814973c -2.38  -5.01c   -2.0000          13
iter: 216 04:23:45   -21.814990c -3.52  -5.23c   -2.0000           9
iter: 217 04:24:06   -21.814992c -3.98  -4.77c   -2.0000          10
iter: 218 04:24:30   -21.814986c -2.86  -5.34c   -2.0000          11
iter: 219 04:24:51   -21.814985c -2.80  -4.80c   -2.0000          10
iter: 220 04:26:05   -21.811007c -0.15  -3.51    -2.0000          38
iter: 221 04:26:38   -21.812088c -0.29  -4.92c   -2.0000          16
iter: 222 04:28:00   -21.802550  +0.26  -4.73c   -2.0000          42
iter: 223 04:29:40   -21.804237  +0.30  -3.87    -2.0000          50
iter: 224 04:31:19   -22.606476  +1.35  -2.11    -2.0000          51
MOM has detected variational collapse, occupied orbitals have changed
iter: 225 04:32:27   -20.247132  +2.57  -14.67c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 226 04:33:37   -21.607380  +2.03  -15.36c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 227 04:39:03   -21.812333  -0.39  -5.08c   -2.0000          59
iter: 228 04:40:27   -21.818725  -0.60  -4.75c   -2.0000          43
iter: 229 04:41:40   -21.820921  -0.30  -4.85c   -2.0000          37
iter: 230 04:43:02   -21.824372c -0.71  -5.06c   -2.0000          42
iter: 231 04:43:58   -21.825899c -1.42  -4.27c   -2.0000          27
iter: 232 04:45:17   -21.826325c -2.04  -4.69c   -2.0000          39
iter: 233 04:46:06   -21.826166c -1.41  -4.56c   -2.0000          24
iter: 234 04:47:03   -21.826378c -1.88  -4.23c   -2.0000          28
iter: 235 04:48:12   -21.826438c -2.07  -4.13c   -2.0000          34
iter: 236 04:49:01   -21.826301c -1.52  -1.99    -2.0000          23
iter: 237 04:49:22   -21.826504c -2.32  -4.27c   -2.0000          10
iter: 238 04:50:02   -21.826546c -3.16  -5.20c   -2.0000          19
iter: 239 04:50:45   -21.826544c -2.71  -4.90c   -2.0000          21
iter: 240 04:51:31   -21.826487c -1.98  -4.64c   -2.0000          21
iter: 241 04:51:54   -21.826569c -3.19  -4.48c   -2.0000          11
iter: 242 04:52:19   -21.826566c -2.74  -5.21c   -2.0000          12
iter: 243 04:52:45   -21.826552c -2.42  -4.67c   -2.0000          13
iter: 244 04:53:34   -21.826406c -1.64  -4.62c   -2.0000          24
iter: 245 04:54:20   -21.826545c -2.43  -4.71c   -2.0000          22
iter: 246 04:54:39   -21.826578c -2.88  -5.22c   -2.0000           9
iter: 247 04:55:22   -21.826567c -2.32  -5.67c   -2.0000          20
iter: 248 04:55:52   -21.826547c -2.12  -3.18    -2.0000          15
iter: 249 04:56:28   -21.826606c -3.90  -4.65c   -2.0000          17
iter: 250 04:56:49   -21.826608c -4.29  -4.97c   -2.0000          10
iter: 251 04:57:10   -21.826608c -4.07  -5.23c   -2.0000          10
iter: 252 04:57:31   -21.826601c -2.97  -5.06c   -2.0000          10
iter: 253 04:57:54   -21.826604c -3.23  -5.13c   -2.0000          11
iter: 254 04:58:51   -21.826538c -2.92  -4.39c   -2.0000          28
iter: 255 04:59:14   -21.826572c -2.83  -4.68c   -2.0000          11
iter: 256 05:00:05   -21.826536c -2.01  -4.56c   -2.0000          25
iter: 257 05:00:49   -21.826605c -2.84  -5.13c   -2.0000          21
iter: 258 05:01:11   -21.826615c -3.99  -4.75c   -2.0000          10
iter: 259 05:01:34   -21.826616c -4.85  -4.31c   -2.0000          11
iter: 260 05:01:55   -21.826614c -3.45  -3.72    -2.0000          10
iter: 261 05:02:14   -21.826616c -4.40  -5.10c   -2.0000           9
iter: 262 05:02:31   -21.826614c -3.60  -4.92c   -2.0000           8
iter: 263 05:03:13   -21.826607c -2.90  -2.00    -2.0000          20
iter: 264 05:03:36   -21.826594c -2.54  -5.30c   -2.0000          11
iter: 265 05:04:13   -21.826595c -2.62  -5.19c   -2.0000          16
iter: 266 05:05:00   -21.826564c -2.16  -3.42    -2.0000          23
iter: 267 05:05:19   -21.826596c -2.68  -4.81c   -2.0000           9
iter: 268 05:06:09   -21.826609c -2.95  -5.24c   -2.0000          24
iter: 269 05:06:28   -21.826610c -2.96  -4.94c   -2.0000           9
iter: 270 05:06:51   -21.826618c -3.87  -4.65c   -2.0000          11
iter: 271 05:07:11   -21.826619c -3.90  -5.17c   -2.0000           9
iter: 272 05:07:51   -21.826617c -3.51  -5.03c   -2.0000          19
iter: 273 05:08:12   -21.826617c -3.57  -4.50c   -2.0000          10
iter: 274 05:09:00   -21.826614c -3.62  -4.87c   -2.0000          23
iter: 275 05:09:56   -21.826567c -2.97  -4.97c   -2.0000          28
iter: 276 05:10:49   -21.826511c -2.58  -5.50c   -2.0000          26
iter: 277 05:11:55   -21.826251c -1.92  -5.62c   -2.0000          33
iter: 278 05:13:04   -21.825797c -1.10  -4.25c   -2.0000          34
iter: 279 05:13:53   -21.826198c -1.97  -4.96c   -2.0000          24
iter: 280 05:15:02   -21.826166c -1.98  -4.09c   -2.0000          35
iter: 281 05:16:27   -21.820703c -0.76  -4.64c   -2.0000          43
iter: 282 05:17:07   -22.353452  +1.46  -2.94    -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 283 05:18:11   -21.985855  +1.55  -14.58c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 05:22:24   -22.004399  +0.51  -1.93    -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 05:23:26   -21.824706  +1.43  -14.89c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 05:28:34   -21.736918  +0.38  -1.89    -2.0000         108
iter: 287 05:30:12   -21.782798  -0.17  -4.53c   -2.0000          49
iter: 288 05:31:14   -21.797091  -0.43  -4.34c   -2.0000          30
iter: 289 05:32:24   -21.804221  -0.24  -5.14c   -2.0000          35
iter: 290 05:36:03   -21.810029  +0.15  -1.88    -2.0000         108
iter: 291 05:39:17   -21.797036  -0.62  -5.42c   -2.0000          39
iter: 292 05:43:05   -21.778477  +0.69  -2.03    -2.0000         114
iter: 293 05:48:31   -21.851844  +0.25  -1.94    -2.0000          48
MOM has detected variational collapse, occupied orbitals have changed
iter: 294 05:49:53   -21.765303  +0.82  -14.66c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 05:50:38   -21.727848  +1.27  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 05:57:55   -21.785782  +1.06  -1.95    -2.0000         111
iter: 297 05:58:27   -21.839186  +0.74  -1.83    -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 05:59:50   -21.707195  +1.51  -14.62c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 06:03:01   -21.541883  +1.68  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 06:04:28   -21.406395  +1.85  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 06:05:57   -22.015265  +1.44  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 06:07:46   -21.442395  +1.84  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 303 06:09:20   -20.522903  +2.40  -15.32c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 06:13:40   -23.195865  +0.39  -1.84    -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 06:15:08   -21.685166  +2.05  -14.96c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 06:15:54   -20.921235  +2.31  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 307 06:18:34   -21.647759  +1.30  -2.13    -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 308 06:19:55   -20.705764  +2.42  -14.71c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 309 06:20:41   -21.693849  +2.12  -15.20c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 310 06:21:29   -21.276029  +2.21  -15.42c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 311 06:24:03   -21.631723  +1.97  -15.21c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 06:24:48   -21.942886  +1.27  -15.26c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 313 06:25:59   -22.263151  +2.19  -15.31c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 314 06:26:44   -21.157526  +1.51  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 315 06:27:49   -21.578120  +1.63  -15.40c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 316 06:30:02   -20.786404  +2.09  -15.37c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 06:30:50   -21.439604  +1.93  -15.42c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 318 06:31:36   -20.558216  +2.54  -14.99c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 319 06:34:11   -21.023593  +2.15  -15.47c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 320 06:35:03   -17.424352  +3.05  -15.29c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 321 06:35:48   -20.670394  +2.55  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 322 06:36:34   -20.471809  +2.48  -15.14c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 323 06:37:19    -8.635271  +3.49  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 324 06:40:28   -13.453282  +3.22  -5.57c   -2.0000          44
iter: 325 06:41:45   -10.072522  +3.38  -5.36c   -2.0000          38
iter: 326 06:43:20   -18.232065  +2.75  -4.97c   -2.0000          46
iter: 327 06:43:49   -20.992726  +1.85  -1.94    -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 328 06:44:57   -21.824117  +2.14  -14.85c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 329 06:45:39   -20.478310  +2.45  -15.33c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 330 06:47:29   -19.005258  +2.78  -15.28c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 331 06:48:59   -19.984905  +2.63  -15.57c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 06:49:45   -19.620025  +2.59  -15.43c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 333 06:50:27   -18.026198  +2.97  -15.08c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 334 06:51:12   -18.718488  +2.81  -15.38c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 335 06:51:58   -22.174703  +2.10  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 06:52:44   -20.779409  +2.25  -14.92c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 337 06:53:31   -20.485591  +2.47  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 338 06:55:21   -21.184858  +2.17  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 06:55:59   -20.862415  +2.21  -14.94c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 340 07:01:10   -21.734812  +0.46  -2.07    -2.0000         104
iter: 341 07:02:31   -21.763499  +0.41  -4.81c   -2.0000          43
iter: 342 07:03:39   -21.814561  +0.11  -4.51c   -2.0000          35
iter: 343 07:05:05   -21.851459  +0.08  -3.62    -2.0000          44
iter: 344 07:06:19   -21.851804  +0.20  -4.51c   -2.0000          37
iter: 345 07:07:21   -21.856825c +0.26  -5.04c   -2.0000          31
iter: 346 07:08:19   -21.879548  -1.04  -5.06c   -2.0000          29
iter: 347 07:08:48   -21.870442  +0.11  -2.60    -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 07:09:38   -17.446743  +2.91  -14.77c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 349 07:10:17   -17.881836  +2.95  -15.33c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 07:11:03   -20.376224  +2.54  -15.10c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 07:11:46   -17.985955  +2.93  -15.53c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 07:12:28   -21.214700  +2.35  -15.37c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 353 07:13:05   -19.863598  +2.20  -15.14c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 07:14:49   -19.738084  +2.47  -15.34c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 355 07:16:19   -17.212005  +3.02  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 356 07:17:36   -20.985698  +2.07  -14.69c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 357 07:18:21   -20.480094  +2.66  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 07:22:18   -19.663992  +2.61  -15.14c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 07:25:04   -21.604208  +1.26  -2.01    -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 07:26:24   -21.295136  +1.90  -14.56c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 361 07:27:49   -21.270094  +2.07  -15.37c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 07:28:27   -21.485664  +2.18  -15.05c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 363 07:29:43   -21.724795  +2.26  -15.48c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 364 07:30:22   -20.097469  +2.47  -15.41c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 365 07:31:29   -20.596738  +2.34  -15.45c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 366 07:34:49   -21.724385  +0.49  -4.88c   -2.0000          48
iter: 367 07:36:10   -21.778870  -0.04  -5.24c   -2.0000          41
iter: 368 07:37:29   -21.795652  -0.26  -5.11c   -2.0000          39
iter: 369 07:38:52   -21.799315  +0.21  -4.40c   -2.0000          43
iter: 370 07:40:26   -22.127489  +1.02  -2.09    -2.0000          47
MOM has detected variational collapse, occupied orbitals have changed
iter: 371 07:41:55   -19.285815  +2.74  -14.83c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 372 07:44:27   -21.342132  +2.22  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 07:45:05   -19.447425  +2.65  -15.30c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 374 07:45:46   -16.919922  +3.01  -15.38c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 375 07:46:54   -21.622022  +2.18  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 07:48:03   -19.532751  +2.64  -15.34c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 377 07:48:46   -21.220830  +2.10  -15.26c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 07:49:30   -20.618123  +2.38  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 07:50:12   -21.269867  +2.42  -15.34c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 380 07:50:56   -19.754148  +2.69  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 07:51:44   -20.197717  +2.63  -15.21c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 382 07:52:47   -16.783530  +3.04  -14.90c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 383 07:53:28   -11.977838  +3.36  -15.16c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 384 07:54:11   -10.600317  +3.43  -15.42c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 07:55:11    10.821433  +3.89  -15.24c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 386 07:56:16    79.066407  +4.37  -15.47c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 07:56:57   138.246267  +4.55  -15.30c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 388 07:57:41   239.879255  +4.73  -15.24c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 389 07:58:29    75.066399  +4.29  -15.02c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 08:00:20   -13.481149  +3.24  -14.59c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 391 08:01:09   -13.904466  +3.23  -14.95c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 392 08:02:15   -19.173039  +2.69  -15.54c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 393 08:04:57    16.363986  +3.88  -15.41c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 394 08:05:47     3.308700  +3.70  -15.47c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 08:06:32    -1.600693  +3.60  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 396 08:07:25    -9.105333  +3.36  -15.03c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 397 08:08:12    -5.316934  +3.47  -15.40c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 398 08:09:08     7.256476  +3.75  -15.07c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 08:10:01    -0.690693  +3.58  -15.32c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 400 08:11:07   174.081560  +4.58  -14.55c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 401 08:12:07    23.201470  +3.93  -14.82c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 08:15:03    -0.272979  +3.60  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 08:15:53    75.007133  +4.27  -15.13c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 08:16:33   188.354652  +4.57  -15.31c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 08:17:49   360.471203  +4.77  -15.23c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 08:18:34    70.848928  +4.13  -15.08c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 08:20:02   261.945520  +4.67  -14.56c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 08:21:13   187.535792  +4.53  -14.91c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 409 08:24:20   114.471762  +4.32  -15.17c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 410 08:27:12    95.423111  +4.27  -14.88c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 411 08:28:17    -0.632971  +3.38  -14.76c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 412 08:29:09    50.289301  +4.13  -15.35c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 413 08:31:09    97.872965  +4.32  -15.26c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 08:31:59   141.780710  +4.44  -15.32c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 415 08:33:32     4.654348  +3.66  -15.31c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 416 08:34:19   189.891828  +4.54  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 08:35:32    46.992025  +4.03  -15.35c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 418 08:36:30    85.723806  +4.22  -14.61c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 419 08:37:21    41.832992  +3.99  -15.40c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 08:38:52   146.319722  +4.39  -15.06c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 08:39:58   315.119606  +4.64  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 08:40:45   122.052876  +4.25  -15.22c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 423 08:41:51   337.502510  +4.60  -15.49c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 08:42:56    94.976028  +4.12  -15.49c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 425 08:44:47   117.625943  +4.18  -15.18c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 08:45:32    35.119696  +3.81  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 08:48:07    25.831471  +3.74  -15.40c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 428 08:48:53    66.671451  +3.96  -15.03c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 08:50:22   962.741178  +4.92  -15.42c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 08:51:02    43.921408  +3.87  -15.40c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 08:52:42    14.779110  +3.52  -15.40c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 432 08:53:30    32.013130  +3.78  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 08:54:18    29.232672  +3.74  -14.95c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 434 08:55:02   206.842605  +4.35  -15.32c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 08:55:50  1650.206193  +4.91  -15.28c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 08:56:47    64.065681  +3.85  -14.66c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 08:58:08   165.501645  +4.18  -14.96c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 438 08:58:57   149.887687  +4.14  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 439 08:59:47     7.766029  +3.41  -15.42c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 09:00:40    68.198988  +3.88  -14.97c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 441 09:01:52    71.079292  +3.92  -15.48c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 442 09:03:05    96.705232  +4.04  -15.26c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 443 09:04:56   210.615183  +4.29  -15.04c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 09:05:58   358.706862  +4.45  -14.97c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 09:07:37   507.735515  +4.56  -15.17c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 446 09:09:00   473.700325  +4.53  -14.54c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 447 09:11:11   426.586355  +4.48  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 448 09:12:17   145.314581  +4.11  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 449 09:13:02   482.596057  +4.53  -15.30c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 09:14:35    60.955791  +3.79  -15.22c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 09:15:22    19.742214  +3.51  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 09:16:24   336.247541  +4.38  -14.75c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 453 09:17:02   613.966187  +4.58  -15.15c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 09:17:41   712.779833  +4.62  -15.20c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 455 09:18:37   622.696717  +4.60  -15.00c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 456 09:19:28   822.381194  +4.68  -14.86c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 457 09:20:44    11.196968  +3.34  -15.10c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 458 09:22:04   448.419789  +4.52  -14.65c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 459 09:23:05   247.294558  +4.32  -14.71c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 460 09:24:00   107.354123  +4.02  -15.24c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 09:24:56    77.777031  +3.90  -14.42c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 09:26:02   280.797604  +4.35  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 463 09:27:06   419.178210  +4.49  -14.82c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 464 09:31:01    89.338889  +3.93  -15.46c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 09:31:46   112.383852  +4.04  -15.45c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 466 09:32:33   156.614820  +4.16  -15.36c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 09:33:14   164.690290  +4.15  -14.98c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 09:34:01    25.424248  +3.67  -14.97c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 09:35:49   -15.140744  +2.84  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 470 09:39:05    44.876317  +3.79  -15.40c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 471 09:40:17    78.278786  +3.93  -15.25c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 09:41:06     1.613401  +3.33  -15.44c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 09:41:52    -2.810865  +3.26  -15.14c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 09:42:58   205.545206  +4.28  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 09:43:45    14.804559  +3.55  -15.25c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 09:44:30     5.643748  +3.37  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 477 09:45:16    21.078336  +3.58  -15.09c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 09:46:04    19.752516  +3.61  -15.24c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 09:46:48     7.533452  +3.49  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 09:47:33    40.616211  +3.77  -15.01c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 481 09:48:24    66.025849  +3.95  -15.50c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 482 09:49:16   115.881772  +4.16  -15.40c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 483 09:50:07    51.570845  +3.88  -15.34c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 484 09:50:54    33.805996  +3.73  -14.94c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 09:51:44    22.543093  +3.64  -15.42c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 486 09:52:40    12.105661  +3.48  -15.32c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 487 09:53:30    21.924091  +3.66  -15.22c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 488 09:54:24    38.732631  +3.81  -15.44c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 489 09:55:19    25.494022  +3.69  -15.10c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 09:56:18  1531.819485  +5.21  -15.56c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 491 09:57:24   181.908195  +4.44  -14.77c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 09:58:36    53.169420  +3.97  -15.00c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 493 09:59:38  1622.336681  +5.17  -15.17c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 494 10:00:51    10.314643  +3.50  -14.91c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 495 10:02:02     3.218546  +3.25  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 496 10:03:14    28.905851  +3.71  -15.14c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 10:04:01   115.338004  +4.18  -15.42c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 10:05:11    45.443765  +3.83  -15.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 10:06:02    57.689806  +3.98  -15.53c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 500 10:06:51    57.190389  +3.94  -14.83c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 10:07:58   148.344817  +4.30  -15.19c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 10:09:06     9.545789  +3.46  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 10:10:15    38.316006  +3.81  -15.51c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 504 10:10:59     7.738442  +3.49  -15.21c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 505 10:11:44    18.622173  +3.62  -15.16c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 506 10:12:30    40.578308  +3.79  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 507 10:13:34     5.993477  +3.41  -14.93c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 10:14:22    69.158602  +4.02  -15.28c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 509 10:15:26    33.284562  +3.74  -15.04c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 510 10:16:11    30.578691  +3.74  -15.52c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 511 10:17:18    37.329575  +3.79  -15.07c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 512 10:18:01    68.136436  +3.97  -15.09c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 513 10:18:47    29.097900  +3.75  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 10:19:28    -1.927015  +3.52  -15.35c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 515 10:20:07    14.364972  +3.60  -15.25c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 10:20:48     9.619161  +3.52  -15.10c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 517 10:21:31   201.023442  +4.32  -15.44c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 10:22:40    64.924891  +3.93  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 10:23:40    51.768937  +3.88  -14.73c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 520 10:24:23    38.319518  +3.84  -15.19c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 521 10:25:25    84.482522  +4.02  -15.33c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 522 10:26:07    87.601941  +4.09  -15.47c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 523 10:26:53    16.486801  +3.60  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 524 10:28:21    63.747766  +3.90  -15.50c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 525 10:29:01    41.811205  +3.87  -15.08c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 526 10:29:42   173.488649  +4.24  -15.09c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 10:30:27    75.844100  +3.99  -15.15c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 10:31:10   100.803478  +4.05  -15.28c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 10:32:16    44.758419  +3.82  -15.18c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 10:32:56    25.400403  +3.69  -15.38c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 10:34:02    23.805566  +3.67  -15.47c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 10:34:43    28.284307  +3.65  -15.29c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 10:35:26    40.030383  +3.78  -15.39c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 534 10:36:06     7.226381  +3.43  -15.06c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 535 10:37:07    49.533844  +4.04  -15.45c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 536 10:38:11    12.137958  +3.53  -15.29c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 537 10:38:50    18.866056  +3.72  -15.22c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 538 10:39:28    36.274129  +3.67  -15.35c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 10:40:14    39.833307  +3.88  -15.29c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 540 10:40:51    27.234648  +3.69  -15.40c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 541 10:41:30     3.213963  +3.50  -15.47c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 542 10:42:13   149.119533  +4.16  -15.37c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 543 10:42:56    53.346053  +3.84  -15.39c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 544 10:43:34   104.122162  +4.02  -15.42c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 545 10:44:19   113.870849  +4.07  -15.18c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 546 10:45:02    -8.143631  +3.12  -15.16c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 547 10:45:45    75.427107  +4.00  -15.48c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 548 10:47:07     5.937761  +3.39  -15.20c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 549 10:47:53    57.552240  +3.82  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 10:48:56    81.515900  +3.91  -15.48c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 551 10:49:39    84.978680  +3.91  -15.38c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 552 10:50:49    44.404867  +3.72  -15.18c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 553 10:51:57    13.458662  +3.53  -15.06c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 10:53:04     2.473645  +3.62  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 555 10:53:42    16.246914  +3.54  -15.21c   -2.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 10:54:24    54.721798  +3.82  -15.43c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 10:55:26    -5.077461  +3.50  -15.23c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 10:57:09   123.760641  +4.08  -15.02c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 559 10:58:39    15.095306  +3.63  -15.25c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 560 10:59:39    24.121644  +3.60  -15.27c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 11:00:46    55.207939  +3.86  -14.77c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 562 11:01:26   242.390530  +4.32  -15.32c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 11:03:00    53.970757  +3.87  -15.17c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 11:04:27    67.861783  +3.91  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 565 11:05:32    30.346049  +3.62  -15.05c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 566 11:07:07    28.782954  +3.67  -15.18c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 11:08:09    50.945851  +3.78  -15.11c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 568 11:08:55   106.130206  +4.02  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 11:09:34   172.498231  +4.20  -15.22c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 570 11:11:00   161.407769  +4.18  -15.25c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 11:15:59   -21.063561  +2.11  -2.26    -2.0000          38
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 11:17:05    18.886173  +3.65  -14.52c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 11:17:54   242.314810  +4.33  -15.29c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 11:19:02    35.523591  +3.65  -15.51c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 575 11:19:46    -6.042593  +3.14  -15.38c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 576 11:22:42    49.128581  +3.74  -15.57c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 577 11:25:34    33.521567  +3.69  -15.30c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 11:26:44    34.291225  +3.67  -15.39c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 579 11:27:33   -14.883493  +2.79  -15.37c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 580 11:28:16    67.764025  +4.00  -15.08c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 581 11:31:12    22.995274  +3.60  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 582 11:31:54    -4.585197  +3.21  -15.14c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 11:33:21    50.070081  +3.79  -15.43c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 584 11:34:05    36.505665  +3.73  -15.37c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 11:34:48   258.536468  +4.35  -15.47c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 11:35:32   163.974909  +4.19  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 11:37:16    42.649208  +3.67  -14.53c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 11:39:11     3.124409  +3.32  -14.61c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 11:42:08     3.071231  +3.40  -15.48c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 11:43:35   653.318247  +4.69  -15.44c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 591 11:44:51   250.868790  +4.35  -15.28c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 592 11:46:22   535.611299  +4.63  -14.56c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 11:47:09   265.607619  +4.38  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 594 11:47:54   594.917309  +4.64  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 595 11:48:55   230.271283  +4.32  -14.80c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 596 11:49:42   337.603010  +4.48  -15.41c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 597 11:50:47    -2.644795  +3.28  -14.83c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 598 11:51:50   112.059101  +4.06  -15.19c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 599 11:52:31   279.597337  +4.37  -15.19c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 600 11:53:17   664.949094  +4.65  -15.34c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 601 11:54:00    96.856416  +3.96  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 602 11:54:42    42.550658  +3.70  -15.36c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 603 11:56:11   482.794524  +4.53  -15.26c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 604 11:56:56   250.877497  +4.30  -15.35c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 605 11:58:50    36.421430  +3.69  -15.31c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 606 12:00:37   333.768001  +4.39  -14.80c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 607 12:01:58   174.496508  +4.18  -14.67c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 608 12:03:25   911.013059  +4.75  -14.97c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 12:04:37   229.212242  +4.27  -15.39c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 610 12:06:12   156.498930  +4.14  -15.20c   -2.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 611 12:07:25    32.684814  +3.63  -14.86c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 12:09:32   187.430488  +4.21  -15.23c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 613 12:12:26    26.413707  +3.59  -15.29c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 614 12:14:29    15.176317  +3.49  -15.21c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 615 12:17:25    80.835762  +3.92  -15.53c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 616 12:19:12    35.483550  +3.70  -15.44c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 617 12:21:43   480.171435  +4.60  -15.21c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 618 12:24:20     8.857763  +3.42  -15.50c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 12:27:57    24.751419  +3.58  -15.20c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 620 12:29:31   213.756534  +4.27  -15.34c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 621 12:30:26    -6.251065  +3.16  -15.29c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 622 12:31:35    32.405423  +3.66  -15.20c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 12:32:30    26.287110  +3.60  -15.20c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 12:33:26     4.909369  +3.30  -14.71c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 625 12:34:35     7.967519  +3.45  -15.27c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 12:35:44    25.192964  +3.63  -15.01c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 12:37:43    15.010244  +3.61  -15.41c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 12:38:33    53.453179  +3.82  -15.36c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 629 12:39:40    26.013257  +3.65  -15.39c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 630 12:40:31    34.548948  +3.74  -15.30c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 631 12:41:58   258.092406  +4.39  -14.67c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 12:43:12     6.576891  +3.47  -14.81c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 633 12:45:04   121.075214  +4.08  -14.66c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 12:47:13   965.674762  +4.81  -15.53c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 635 12:48:43  1418.268691  +4.85  -14.72c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 636 12:50:03   391.611997  +4.44  -14.84c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 637 12:52:05    28.287824  +3.71  -14.78c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 638 12:53:17    30.458687  +3.70  -15.24c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 639 12:54:12     6.462948  +3.38  -15.24c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 640 12:55:32   125.065076  +4.04  -15.28c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 12:57:31    32.520470  +3.60  -14.70c   -2.0000          39
MOM has detected variational collapse, occupied orbitals have changed
iter: 642 12:58:55    59.552492  +3.81  -14.89c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 643 13:00:33    18.630621  +3.52  -14.77c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 13:01:40    78.681787  +3.90  -14.64c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 645 13:03:29     3.195831  +3.29  -14.64c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 646 13:05:19   322.003081  +4.41  -14.89c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 13:07:12  1361.332222  +4.92  -14.79c   -2.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 648 13:08:35    11.048711  +3.42  -14.53c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 649 13:09:53   183.825393  +4.24  -14.69c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 650 13:10:52   284.889496  +4.41  -14.71c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 651 13:12:12   734.967282  +4.76  -15.20c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 13:13:30   700.942156  +4.77  -14.58c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 653 13:15:09   185.385993  +4.26  -14.84c   -2.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 13:16:23   185.265945  +4.27  -14.54c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 655 13:18:05   356.308306  +4.49  -14.61c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 13:19:23    98.902718  +4.00  -14.89c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 13:20:20    84.096363  +3.98  -15.27c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 13:21:45   149.211000  +4.16  -14.89c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 13:22:56    16.875593  +3.57  -14.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 13:23:44    59.181668  +3.86  -15.11c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 13:24:33   317.816899  +4.46  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 662 13:25:21    60.930912  +3.89  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 663 13:26:06   211.521544  +4.29  -15.40c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 664 13:26:53   114.693422  +4.07  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 13:27:51    45.875804  +3.83  -14.70c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 666 13:28:40    18.150522  +3.67  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 667 13:30:12   139.372055  +4.19  -15.42c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 668 13:31:28   125.563037  +4.16  -14.74c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 669 13:32:18    50.792664  +3.86  -15.56c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 13:33:07    17.168892  +3.65  -15.50c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 13:34:16    34.144971  +3.73  -14.83c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 672 13:35:05    96.979710  +4.09  -15.19c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 673 13:36:32  1157.440349  +4.94  -15.43c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 674 13:37:49  1018.214847  +4.95  -14.78c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 675 13:38:43   243.897112  +4.42  -15.19c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 676 13:39:55   134.722319  +4.21  -15.12c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 677 13:41:05   346.497589  +4.54  -15.22c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 678 13:42:37   292.305575  +4.46  -14.82c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 679 13:43:35   116.311052  +4.14  -14.81c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 680 13:44:26    35.047829  +3.70  -15.15c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 681 13:45:48    37.658078  +3.79  -14.80c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 13:46:54    39.291405  +3.78  -14.79c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 683 13:48:08    23.168461  +3.78  -14.66c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 684 13:49:22    71.437493  +3.99  -15.11c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 13:50:13    22.228427  +3.77  -15.29c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 686 13:50:59    32.521147  +3.85  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 687 13:51:47   682.681505  +4.77  -15.36c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 688 13:52:35   113.537324  +4.10  -15.15c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 13:53:45    13.897286  +3.71  -15.47c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 690 13:54:32   113.351732  +4.14  -15.20c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 691 13:56:09   105.430056  +4.07  -15.27c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 692 13:58:11     3.113192  +3.39  -15.50c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 693 13:59:15   606.263967  +4.71  -14.82c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 694 14:00:32     5.626725  +3.33  -15.24c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 14:01:20    25.576569  +3.63  -15.49c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 14:02:07   159.266581  +4.24  -15.21c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 697 14:02:53    18.442477  +3.60  -15.03c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 698 14:04:07  1427.496288  +4.97  -15.18c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 14:05:07    19.643020  +3.68  -14.67c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 700 14:06:12     9.511805  +3.64  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 701 14:06:57   585.638526  +4.69  -15.41c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 702 14:07:46   160.926559  +4.22  -15.40c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 14:08:42   302.831296  +4.47  -15.26c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 704 14:10:20    37.164972  +3.84  -14.71c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 705 14:11:06    10.258364  +3.49  -15.19c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 706 14:11:48    59.895714  +3.92  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 707 14:12:35    65.645776  +3.96  -15.38c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 708 14:13:44    43.273572  +3.86  -14.72c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 709 14:14:39     2.160520  +3.41  -15.36c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 14:15:34    56.672428  +3.93  -15.21c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 711 14:16:50    79.879403  +4.10  -15.46c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 14:17:35   118.607525  +4.19  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 713 14:18:33   613.334734  +4.76  -15.49c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 14:19:28    14.370938  +3.58  -15.49c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 715 14:20:20    16.080103  +3.62  -15.52c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 716 14:21:33    30.204325  +3.72  -15.26c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 717 14:22:21    13.258016  +3.55  -15.48c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 718 14:23:06   168.499368  +4.26  -15.15c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 719 14:24:31    73.365519  +3.95  -15.50c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 14:25:53   -10.915391  +3.08  -14.84c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 721 14:26:51    32.695412  +3.77  -15.15c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 722 14:28:07   171.696302  +4.31  -14.60c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 14:29:01    -3.740992  +3.31  -15.09c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 724 14:29:46    28.805171  +3.78  -15.51c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 14:30:55    25.664409  +3.76  -15.44c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 726 14:31:43    33.641814  +3.80  -15.40c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 727 14:32:29    45.503444  +3.93  -15.21c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 728 14:33:13    32.937559  +3.80  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 729 14:33:54    16.102290  +3.69  -15.27c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 730 14:34:58    24.104016  +3.74  -14.99c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 731 14:35:45   214.618947  +4.41  -15.20c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 732 14:36:56    51.800668  +3.91  -15.30c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 733 14:37:44   124.801938  +4.21  -15.27c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 734 14:39:02    38.574952  +3.81  -15.03c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 14:42:17   125.317222  +4.18  -15.21c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 14:43:29    22.114420  +3.65  -15.39c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 14:44:41    19.734547  +3.64  -14.97c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 738 14:45:27     2.773010  +3.34  -15.28c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 14:46:17    -4.949913  +3.08  -15.26c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 14:47:16    31.071502  +3.72  -15.18c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 14:48:17   153.312472  +4.25  -14.72c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 742 14:49:05  1231.188523  +4.94  -15.41c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 743 14:50:16  1270.591851  +4.97  -14.78c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 744 14:51:28   616.950495  +4.72  -15.30c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 745 14:52:32   339.670571  +4.53  -14.66c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 14:53:38   257.463887  +4.39  -15.36c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 14:54:20    48.951836  +3.77  -15.31c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 748 14:55:28    71.329020  +3.94  -14.86c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 749 14:56:58   533.338578  +4.70  -15.18c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 750 14:57:46   484.774684  +4.63  -15.32c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 14:58:33   913.107968  +4.86  -15.32c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 14:59:14   265.862473  +4.41  -15.28c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 753 15:01:22  1382.948015  +4.95  -15.27c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 754 15:02:50   489.882988  +4.61  -14.76c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 755 15:04:04    67.268201  +3.85  -14.77c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 756 15:05:10  1743.080496  +4.93  -14.70c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 757 15:06:40    77.802528  +3.87  -14.57c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 758 15:07:53    37.761137  +3.65  -14.75c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 759 15:09:01    80.182028  +3.90  -14.83c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 760 15:10:05   243.023489  +4.29  -14.89c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 15:11:56   157.561943  +4.15  -15.10c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 15:13:01   210.907142  +4.27  -14.59c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 15:13:48   279.989987  +4.38  -15.16c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 764 15:14:31    55.560563  +3.82  -15.04c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 765 15:15:38  1672.804935  +4.94  -15.31c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 15:18:34   144.156291  +4.08  -14.86c   -2.0000          39
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 15:20:11   224.567784  +4.27  -14.54c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 768 15:21:25   289.954940  +4.37  -14.62c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 769 15:22:35   485.302720  +4.56  -14.70c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 15:23:20    86.830717  +3.93  -15.15c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 15:24:24    60.394288  +3.81  -14.64c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 772 15:25:07    93.109434  +3.96  -15.43c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 773 15:26:08    91.841829  +3.96  -14.58c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 774 15:26:56    85.885461  +3.95  -15.15c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 15:27:42    42.630693  +3.71  -15.74c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 15:28:53   447.708518  +4.53  -15.45c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 15:29:43   145.991928  +4.13  -15.48c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 778 15:30:50   237.796388  +4.32  -15.22c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 779 15:31:35   364.399690  +4.46  -15.27c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 780 15:32:50   209.807937  +4.25  -15.05c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 781 15:33:36   165.218396  +4.16  -15.34c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 782 15:35:04    61.772638  +3.85  -15.32c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 15:36:13   133.257216  +4.13  -15.44c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 15:37:21    16.361143  +3.55  -15.33c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 15:38:11     8.543872  +3.46  -15.45c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 786 15:38:55     6.083345  +3.41  -15.18c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 15:39:40     1.704481  +3.40  -15.28c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 15:40:24     4.306412  +3.40  -15.33c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 15:41:15    -1.184954  +3.30  -15.48c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 15:42:03    88.599562  +4.06  -15.18c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 15:43:13   836.628550  +4.91  -15.38c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 15:44:25   208.427964  +4.39  -15.08c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 793 15:45:29   339.877429  +4.59  -14.73c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 15:46:11   223.655909  +4.41  -15.43c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 15:47:41   393.467143  +4.63  -15.14c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 15:48:44  1121.042008  +5.03  -14.81c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 797 15:49:42   167.219703  +4.35  -14.79c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 798 15:51:22    12.892260  +3.57  -14.56c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 15:52:03  1029.915541  +5.04  -15.30c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 15:53:02   886.037065  +4.97  -14.69c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 15:53:56   389.369124  +4.66  -14.71c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 15:55:38    80.226607  +4.04  -15.25c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 15:57:43    83.033310  +4.04  -15.41c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 15:58:57    13.462128  +3.55  -14.68c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 15:59:44   787.704850  +4.98  -15.40c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 16:00:45   532.047492  +4.81  -14.87c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 16:01:28  1198.383200  +5.03  -15.08c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 16:02:56   929.514629  +4.96  -14.76c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 16:03:59   704.505712  +4.88  -14.91c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 16:04:47     7.838194  +3.45  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 16:05:30   176.773585  +4.35  -15.37c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 16:06:36   548.456312  +4.79  -14.65c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 16:07:23    52.027461  +3.92  -15.14c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 16:08:08   885.156144  +4.94  -15.41c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 16:08:53    98.708950  +4.11  -15.16c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 16:09:48   253.117407  +4.45  -14.84c   -2.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 16:10:28   118.241883  +4.15  -15.39c   -2.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 16:13:01    33.490180  +3.55  -15.32c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 16:14:50   877.134120  +4.89  -14.64c   -2.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 16:16:20   387.901295  +4.58  -14.85c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 16:17:39    37.153403  +3.71  -14.89c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 16:18:52    68.380500  +3.90  -14.92c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 16:20:23   179.302309  +4.29  -14.86c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 16:21:55    90.375300  +4.03  -14.94c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 16:22:46    25.570339  +3.60  -15.27c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 16:23:39    19.862111  +3.52  -15.44c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 16:24:54    77.518253  +3.99  -14.81c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 16:26:19   439.926522  +4.70  -14.85c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 16:28:32   690.181947  +4.92  -14.65c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 16:29:57    12.719928  +3.55  -14.55c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 16:31:22    -0.409627  +3.28  -14.57c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 832 16:32:38   535.210113  +4.79  -14.62c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 833 16:34:38    75.074908  +3.99  -14.71c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 16:35:53   228.684698  +4.45  -15.33c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 16:36:58   384.687096  +4.62  -15.35c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 16:38:11   146.056672  +4.26  -14.94c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 16:39:22   295.730898  +4.53  -15.07c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 838 16:40:26   105.875909  +4.14  -14.89c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 16:41:41   246.257295  +4.51  -14.80c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 16:43:37   224.532702  +4.45  -14.32c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 16:44:52    41.865723  +3.84  -14.80c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 16:46:08   161.833150  +4.33  -14.73c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 16:47:40   248.671561  +4.47  -14.62c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 16:49:34   167.262344  +4.31  -14.60c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 16:50:49    19.074348  +3.62  -14.83c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 16:51:49    40.716313  +3.84  -15.16c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 16:53:06   155.350237  +4.31  -14.85c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 16:54:34    63.862872  +3.97  -14.88c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 16:55:52   353.686992  +4.61  -15.48c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 16:57:16   231.757930  +4.47  -14.93c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 16:58:26   401.761812  +4.64  -14.78c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 16:59:35    -2.876061  +3.15  -14.55c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 853 17:00:48    32.172951  +3.75  -14.81c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 17:02:26     8.094487  +3.43  -14.42c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 855 17:03:48  1096.081379  +5.08  -14.53c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 856 17:04:58   388.005430  +4.65  -14.94c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 17:06:07   902.613216  +4.97  -14.87c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 17:07:18   411.483757  +4.63  -14.81c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 17:08:48   958.881688  +4.93  -14.62c   -2.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 17:10:08   172.861317  +4.31  -14.85c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 17:12:04     5.573927  +3.34  -15.63c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 17:13:40   210.320530  +4.42  -14.73c   -2.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 17:15:16    46.680920  +3.88  -14.75c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 17:16:52   220.302083  +4.41  -14.69c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 17:18:24    63.081846  +3.94  -14.66c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 17:19:39   674.171161  +4.87  -14.88c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 17:20:53   513.867550  +4.77  -14.81c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 868 17:22:17   586.502948  +4.84  -14.57c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 869 17:23:58    -0.154774  +3.27  -14.73c   -2.0000          34
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 17:25:15   225.363850  +4.48  -14.94c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 17:26:27   620.434140  +4.91  -14.79c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 17:27:36   131.363225  +4.33  -14.89c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 17:28:42    55.347705  +4.02  -14.94c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 17:29:51    48.788181  +3.99  -14.98c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 17:30:58   161.765492  +4.38  -14.70c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 876 17:31:44   109.703971  +4.21  -15.23c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 17:32:47   206.453398  +4.47  -14.71c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 878 17:33:40   526.122176  +4.80  -15.24c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 17:34:34   377.554963  +4.64  -15.24c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 880 17:37:00   184.588413  +4.36  -14.90c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 881 17:37:50   250.412710  +4.54  -15.37c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 17:39:21    45.183013  +3.89  -15.19c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 17:40:48   179.495493  +4.38  -14.70c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 17:42:32   110.571048  +4.24  -14.94c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 17:43:57   355.728879  +4.75  -14.64c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 17:44:59   172.233212  +4.47  -14.76c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 887 17:46:17   129.398702  +4.34  -15.38c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 888 17:47:47    28.372683  +3.79  -15.43c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 889 17:49:02    -2.665278  +3.24  -15.16c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 890 17:50:16    43.042685  +3.99  -14.65c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 17:51:25    70.291226  +4.15  -14.72c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 892 17:52:15    62.011054  +4.11  -14.93c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 893 17:53:08    86.145801  +4.21  -15.32c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 894 17:54:04   152.321314  +4.41  -15.39c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 895 17:55:29    41.268730  +3.94  -14.85c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 896 17:56:41    42.965627  +3.95  -14.66c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 17:58:44  1257.026714  +5.16  -15.07c   -2.0000          38
MOM has detected variational collapse, occupied orbitals have changed
iter: 898 18:00:08   533.476609  +4.90  -15.29c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 899 18:01:26   152.918221  +4.43  -14.81c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 900 18:02:23    37.417667  +3.92  -15.26c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 18:04:10   173.606209  +4.47  -15.33c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 902 18:05:34    65.278854  +4.12  -14.68c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 903 18:06:58    26.083963  +3.84  -15.32c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 904 18:08:12    98.167768  +4.28  -14.82c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 905 18:10:06    49.127537  +3.98  -15.24c   -2.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 906 18:12:28    32.848053  +3.94  -14.49c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 907 18:13:15     6.679621  +3.66  -15.24c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 908 18:14:14    41.427279  +4.00  -15.43c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 909 18:17:10    40.980255  +3.99  -15.41c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 910 18:18:05   110.166653  +4.33  -15.24c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 911 18:19:03    37.553742  +3.98  -14.89c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 18:19:51   -10.391799  +3.19  -15.44c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 18:21:08   129.648300  +4.39  -15.15c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 18:22:58   574.026179  +5.02  -14.85c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 915 18:24:20   224.663767  +4.68  -14.82c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 18:25:50   103.925215  +4.36  -14.53c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 917 18:27:07    75.162562  +4.25  -14.76c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 18:28:42    85.868081  +4.31  -14.96c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 18:29:46     6.361009  +3.69  -14.82c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 920 18:30:33   305.689681  +4.78  -15.26c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 921 18:31:19   286.397078  +4.73  -15.18c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 18:32:13   240.519124  +4.63  -14.82c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 18:33:46   105.316054  +4.28  -15.14c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 924 18:35:16    35.396508  +3.92  -15.00c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 18:36:38    31.295817  +3.90  -14.73c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 926 18:37:48    68.057603  +4.14  -14.69c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 18:38:41   119.362351  +4.34  -15.19c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 928 18:40:06    64.699160  +4.12  -14.60c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 929 18:41:27   233.789203  +4.56  -14.72c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 930 18:42:25     4.359668  +3.42  -15.17c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 931 18:44:05   167.688450  +4.43  -14.79c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 932 18:45:10   453.516128  +4.83  -14.73c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 933 18:46:53   294.840393  +4.62  -14.95c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 18:48:27   514.570899  +4.81  -15.16c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 935 18:49:23   412.260734  +4.68  -15.31c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 936 18:51:38   298.547024  +4.53  -14.74c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 937 18:52:43    12.955525  +3.38  -15.23c   -2.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 938 18:54:46    52.632315  +3.85  -14.62c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 939 18:56:18   362.191607  +4.58  -14.35c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 940 18:57:20   167.022541  +4.26  -15.28c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 941 18:58:48   340.340617  +4.51  -14.57c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 19:00:04   142.621157  +4.15  -14.74c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 943 19:02:13   201.814172  +4.27  -14.65c   -2.0000          47
MOM has detected variational collapse, occupied orbitals have changed
iter: 944 19:03:56   230.422652  +4.30  -14.80c   -2.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 945 19:05:53   557.751838  +4.70  -14.75c   -2.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 946 19:06:54   160.132166  +4.22  -15.12c   -2.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 947 19:07:51    50.367793  +3.79  -15.40c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 948 19:09:36    43.345104  +3.77  -14.86c   -2.0000          35
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 19:11:04   272.246798  +4.42  -14.66c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 19:12:04    88.540956  +4.01  -15.33c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 951 19:13:07   167.615158  +4.26  -14.84c   -2.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 952 19:14:31    23.674710  +3.59  -14.73c   -2.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 953 19:17:50    89.850068  +4.02  -14.50c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 954 19:19:02   103.942226  +4.07  -15.30c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 955 19:20:29   201.596639  +4.34  -14.97c   -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 956 19:21:55   177.197277  +4.26  -14.41c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 19:22:50  1524.257839  +5.06  -15.19c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 958 19:24:38   215.214862  +4.37  -14.57c   -2.0000          41
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 19:26:00     2.693840  +3.21  -15.02c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 960 19:27:08   123.594850  +4.17  -14.31c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 961 19:29:04    97.310636  +4.06  -14.67c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 19:30:01    25.207757  +3.59  -15.27c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 963 19:31:21    87.119101  +4.05  -14.77c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 964 19:32:31   161.947129  +4.26  -14.69c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 965 19:34:01     6.581634  +3.35  -14.86c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 966 19:35:06   205.838905  +4.36  -14.60c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 967 19:35:57    46.945434  +3.82  -15.11c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 968 19:37:23     7.882715  +3.39  -14.97c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 969 19:38:29   210.244304  +4.38  -14.75c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 970 19:39:40    51.314033  +3.88  -14.87c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 971 19:40:31    72.753978  +4.00  -15.61c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 972 19:41:20   185.600431  +4.33  -15.14c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 19:42:13   305.554185  +4.50  -15.24c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 19:43:07  1291.830664  +5.08  -15.03c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 975 19:44:20    15.895550  +3.56  -14.65c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 976 19:45:34   600.697171  +4.76  -14.78c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 977 19:46:45  1091.760223  +4.91  -14.76c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 19:47:51    89.130807  +3.99  -14.92c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 979 19:49:26   376.655000  +4.51  -14.50c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 980 19:50:39   381.897052  +4.50  -14.65c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 981 19:52:01    61.418801  +3.81  -14.83c   -2.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 982 19:53:08   971.538217  +4.81  -15.00c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 983 19:54:10    80.428404  +3.90  -14.85c   -2.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 984 19:55:29   272.071827  +4.34  -15.18c   -2.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 985 19:56:33   179.596169  +4.19  -14.83c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 19:58:09    80.973216  +3.90  -14.84c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 20:00:10    50.634753  +3.72  -14.77c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 988 20:01:05   146.890500  +4.11  -15.42c   -2.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 20:02:16    67.976298  +3.83  -15.35c   -2.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 990 20:03:05    49.885851  +3.73  -14.62c   -2.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 991 20:04:26   119.496501  +4.07  -14.82c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 20:05:28    49.189788  +3.77  -14.65c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 20:06:34   748.769226  +4.75  -14.81c   -2.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 994 20:07:24   297.568673  +4.41  -15.22c   -2.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 995 20:09:05  1425.683056  +4.92  -14.61c   -2.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 996 20:09:56   269.532491  +4.33  -15.33c   -2.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 997 20:10:44  1406.224877  +4.89  -15.46c   -2.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 20:11:38   806.365667  +4.72  -15.05c   -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 20:12:52   269.127094  +4.32  -14.65c   -2.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 20:14:05    39.867064  +3.65  -14.83c   -2.0000          14
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


