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

User:   aes38@compute-47
Date:   Sat Sep 30 00:48:55 2023
Arch:   x86_64
Pid:    2963779
CWD:    /users/home/aes38/Rydberg/new/ethylene/Csic/sixthext
Python: 3.9.6
gpaw:   /users/home/aes38/new-gmf-gpaw/gpaw (f5d5d6d24c)
_gpaw:  /users/home/aes38/new-gmf-gpaw/build/lib.linux-x86_64-3.9/
        _gpaw.cpython-39-x86_64-linux-gnu.so (7a0e975e9f)
ase:    /hpcapps/source/ase_dev/ase (version 3.23.0b1-d4c62f2276)
numpy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/numpy (version 1.22.4)
scipy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/scipy (version 1.8.1)
libxc:  5.1.6
units:  Angstrom and eV
cores: 64
OpenMP: False
OMP_NUM_THREADS: 1

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

Initialize ...

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

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

Reference energy: -2105.216880  # eV

Spin-polarized calculation.
Magnetic moment: 0.000000

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

Symmetries present (total): 1

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

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

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

Occupation numbers: # Uniform distribution of occupation numbers 

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

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

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

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

XC parameters: PBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 181.78 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: 271.47 MiB
  Calculator: 42.39 MiB
    Density: 11.28 MiB
      Arrays: 11.20 MiB
      Localized functions: 0.08 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 8.33 MiB
      Arrays: 8.33 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 22.77 MiB
      Arrays psit_nG: 19.69 MiB
      Eigensolver: 3.08 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

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

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

... initialized

Initializing position-dependent things.

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

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

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

  Lengths:  20.000000  21.847084  22.456465
  Angles:   90.000000  90.000000  90.000000

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

Initial localization: ...
Pipek-Mezey localization started
Pipek-Mezey localization finished
Done
     iter     time        total  log10-change:  magmom         iter
                         energy  eigst   dens             inner loop
iter:   1 00:57:44   -20.265754  +0.25  -1.90    -0.0000         106
iter:   2 00:59:45   -20.663371  +2.17  -1.96    +0.0000          60
MOM has detected variational collapse, occupied orbitals have changed
iter:   3 01:01:03   -20.809039  -0.79  -15.02c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:   4 01:03:32   -20.722603  -1.06  -3.61    +0.0000          32
iter:   5 01:05:16   -20.856373  -0.25  -4.95c   -0.0000          52
iter:   6 01:06:31   -20.852749  +1.03  -4.34c   -0.0000          38
iter:   7 01:07:05   -19.985827  +2.34  -2.39    -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:   8 01:08:05   -20.445439  +2.08  -14.80c   -0.0000           6
MOM has detected variational collapse, occupied orbitals have changed
iter:   9 01:09:07   -19.440806  +2.35  -15.28c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  10 01:10:10   -17.422188  +2.91  -15.19c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  11 01:10:46    -9.270747  +3.43  -15.40c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  12 01:11:26    23.231840  +4.03  -15.32c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  13 01:12:01   110.972557  +4.48  -15.16c   -0.0000           7
MOM has detected variational collapse, occupied orbitals have changed
iter:  14 01:12:44   142.680206  +4.55  -15.19c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  15 01:13:26   256.241617  +4.74  -15.34c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  16 01:14:06   444.362811  +4.90  -15.28c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  17 01:14:42   471.497364  +4.86  -15.00c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  18 01:15:23   663.238045  +4.91  -15.22c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  19 01:16:02   812.778925  +4.90  -15.36c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  20 01:16:53    32.515884  +3.78  -14.88c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  21 01:17:44  1549.197219  +4.99  -15.28c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  22 01:18:47   186.921578  +4.27  -14.97c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  23 01:19:38   388.407318  +4.53  -15.54c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter:  24 01:20:48   114.805824  +4.07  -15.32c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  25 01:22:14    56.829441  +3.84  -15.28c   -0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter:  26 01:29:49   -26.261217  +1.25  -2.01    -0.0000         116
iter:  27 01:32:41     1.722511  +3.11  -1.95    -0.0000          88
MOM has detected variational collapse, occupied orbitals have changed
iter:  28 01:40:31   -26.915774  +1.41  -2.06    +0.0000         118
iter:  29 01:43:21    -4.754994  +3.04  -2.02    +0.0000          85
MOM has detected variational collapse, occupied orbitals have changed
iter:  30 01:51:11   -22.754375  +1.99  -1.99    +0.0000         117
iter:  31 01:55:07   -26.639204  +1.31  -2.13    +0.0000         116
iter:  32 02:03:10   -25.682523  +1.78  -2.24    +0.0000         117
iter:  33 02:07:06   -21.792338  +1.74  -2.09    +0.0000         117
iter:  34 02:08:25    -9.950280  +3.09  -14.93c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  35 02:16:00   -26.763558  +1.35  -2.36    +0.0000         119
iter:  36 02:19:59   -26.765939  +1.62  -2.34    +0.0000         118
iter:  37 02:23:37   106.220871  +3.98  -14.78c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  38 02:28:19   -13.379182  +2.36  -2.03    +0.0000          36
MOM has detected variational collapse, occupied orbitals have changed
iter:  39 02:29:19   109.758676  +4.01  -14.78c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  40 02:30:14    53.879616  +3.80  -14.94c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  41 02:31:17   113.186001  +4.04  -15.37c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  42 02:32:21   440.121315  +4.54  -15.40c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  43 02:33:12   367.666810  +4.48  -14.90c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  44 02:33:57   986.976902  +4.79  -15.37c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  45 02:34:49   593.701764  +4.62  -14.82c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  46 02:35:33    96.670217  +3.96  -15.30c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  47 02:36:40    66.149630  +3.86  -15.34c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  48 02:38:13    28.753472  +3.62  -14.53c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  49 02:39:37    50.831509  +3.76  -15.28c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  50 02:40:45   640.197930  +4.66  -15.20c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  51 02:41:41   883.691582  +4.75  -14.63c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  52 02:42:28  1443.340209  +4.95  -15.06c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  53 02:43:19    79.583433  +3.93  -14.95c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  54 02:44:01  1136.317375  +4.90  -15.10c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  55 02:45:05     4.566681  +3.37  -15.10c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  56 02:45:58   535.382940  +4.67  -14.82c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  57 02:47:26  1141.378542  +4.92  -15.02c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter:  58 02:48:47    88.216665  +3.99  -14.88c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter:  59 02:50:09    25.736426  +3.62  -15.00c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  60 02:50:55    20.278636  +3.57  -15.37c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  61 02:51:40    -9.125680  +3.06  -15.51c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  62 02:52:36  1306.330822  +4.87  -15.03c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  63 02:53:49    26.144117  +3.61  -14.57c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  64 02:54:33    54.322808  +3.80  -15.29c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  65 02:55:34    52.807268  +3.77  -15.15c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  66 02:56:33     9.615937  +3.41  -14.59c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  67 02:57:13    60.693035  +3.85  -15.12c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  68 02:57:57   299.843690  +4.40  -15.16c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  69 02:58:43     0.901558  +3.33  -15.28c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  70 02:59:24    89.312150  +3.95  -15.25c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  71 03:00:21   -15.413474  +2.71  -14.91c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  72 03:03:51   172.755156  +4.19  -15.01c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter:  73 03:04:58    85.977255  +3.93  -15.22c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  74 03:05:46    65.172168  +3.84  -15.22c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  75 03:06:32   301.709729  +4.39  -15.34c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  76 03:07:21    26.289293  +3.59  -15.27c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter:  77 03:08:03    15.458209  +3.47  -15.24c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  78 03:09:28    63.775687  +3.85  -14.90c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  79 03:10:12   301.095037  +4.39  -15.41c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter:  80 03:10:53   303.703421  +4.38  -15.13c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  81 03:12:22   106.004257  +4.00  -15.31c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter:  82 03:13:48   286.404256  +4.37  -14.74c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter:  83 03:14:46    71.264923  +3.85  -14.81c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  84 03:16:10    18.440356  +3.50  -15.25c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  85 03:16:49   171.437153  +4.18  -15.42c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  86 03:17:29    32.411212  +3.62  -15.33c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  87 03:18:12   -12.968520  +2.79  -15.12c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  88 03:18:51    -8.838331  +2.97  -15.25c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  89 03:19:32    -3.659698  +3.15  -15.33c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  90 03:20:10    32.650069  +3.61  -15.53c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  91 03:20:50   163.677222  +4.14  -15.09c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  92 03:21:28    85.413641  +3.91  -14.97c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  93 03:22:09    37.944351  +3.67  -15.57c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  94 03:22:46    11.255466  +3.39  -15.24c   +0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter:  95 03:23:26    38.210608  +3.69  -15.31c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  96 03:24:08    11.314228  +3.40  -15.04c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter:  97 03:24:46   449.584304  +4.52  -15.03c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter:  98 03:25:29   508.903872  +4.56  -15.29c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter:  99 03:26:22   475.234229  +4.53  -14.88c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 100 03:27:25    55.284634  +3.76  -15.53c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 101 03:28:19   151.875371  +4.10  -14.69c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 102 03:29:05   100.725426  +3.95  -15.41c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 103 03:29:50   -13.731793  +2.79  -15.51c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 104 03:30:32    83.938953  +3.91  -15.00c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 105 03:31:10    67.245028  +3.83  -15.25c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 106 03:32:11     9.819362  +3.37  -15.29c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 107 03:32:52    16.081227  +3.47  -15.21c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 108 03:33:36   560.676492  +4.59  -15.31c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 109 03:34:45   134.957380  +4.07  -15.21c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 110 03:35:30    61.602608  +3.80  -15.45c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 111 03:36:54   260.883957  +4.30  -15.03c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 03:38:00   105.763189  +3.97  -15.41c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 113 03:38:44   338.276727  +4.39  -15.44c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 114 03:39:26   460.142552  +4.49  -15.59c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 03:40:28     4.327317  +3.24  -14.75c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 03:41:45     4.982505  +3.27  -14.68c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 117 03:42:38    31.422354  +3.58  -14.94c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 118 03:43:17    15.171694  +3.41  -15.43c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 03:44:22     4.154050  +3.26  -15.11c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 03:45:07    33.260663  +3.60  -15.34c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 121 03:45:59   238.268883  +4.25  -14.89c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 122 03:46:47   376.898003  +4.42  -14.72c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 03:47:37    27.460309  +3.55  -14.99c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 124 03:48:41     7.466593  +3.35  -15.30c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 03:49:20   169.078795  +4.16  -15.37c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 03:50:51   104.703471  +3.99  -15.44c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 03:51:44    52.193886  +3.75  -14.81c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 128 03:52:30    22.618777  +3.52  -15.26c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 129 03:53:10    36.605961  +3.65  -15.17c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 130 03:53:55    17.167067  +3.48  -15.25c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 131 03:54:35    11.201753  +3.41  -15.14c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 132 03:55:18    19.102598  +3.53  -15.19c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 133 03:55:59     9.781613  +3.42  -15.57c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 134 03:56:39     9.943812  +3.39  -15.09c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 135 03:57:21    10.627829  +3.44  -15.61c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 136 03:57:59    22.065539  +3.56  -15.42c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 137 03:58:38    74.623429  +3.93  -15.56c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 138 03:59:19   261.948409  +4.39  -15.24c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 139 04:00:03    -4.876359  +3.19  -15.47c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 140 04:00:45    50.653670  +3.80  -14.93c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 141 04:01:24   109.941709  +4.07  -15.33c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 142 04:02:06     4.063871  +3.40  -14.90c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 143 04:02:48    13.583519  +3.53  -15.27c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 144 04:03:31    34.750189  +3.71  -15.31c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 145 04:04:35    36.079013  +3.72  -15.27c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 146 04:05:16    12.247165  +3.49  -15.20c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 147 04:05:54    21.028973  +3.58  -15.39c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 148 04:06:34    18.338693  +3.53  -15.21c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 149 04:07:13    37.885478  +3.70  -15.41c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 150 04:07:52    29.342544  +3.62  -15.42c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 151 04:08:33    99.328749  +3.99  -15.06c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 152 04:09:13    82.514412  +3.93  -15.33c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 153 04:10:18   225.653219  +4.31  -15.33c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 154 04:11:02    58.568459  +3.82  -15.37c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 155 04:11:44    46.079243  +3.75  -15.00c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 156 04:12:23   158.661534  +4.16  -15.33c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 157 04:13:04   146.792516  +4.13  -15.61c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 158 04:14:07   227.036562  +4.28  -15.43c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 159 04:14:49    56.674604  +3.80  -15.09c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 160 04:15:29   684.125328  +4.67  -15.34c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 161 04:16:11   163.764938  +4.18  -15.27c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 162 04:18:18    16.086735  +3.48  -15.26c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 163 04:19:00    43.528867  +3.72  -15.30c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 164 04:19:42    44.099316  +3.74  -14.95c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 165 04:20:23    89.709750  +3.97  -15.39c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 166 04:21:03    63.454195  +3.83  -15.11c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 167 04:21:43   148.391311  +4.14  -15.25c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 04:22:29   163.787217  +4.15  -15.31c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 169 04:23:09    -0.118706  +3.21  -15.34c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 170 04:23:51     1.166249  +3.28  -15.39c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 171 04:24:32    20.525222  +3.52  -15.35c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 172 04:25:13    13.536508  +3.47  -15.53c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 173 04:25:55    34.091806  +3.64  -15.31c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 174 04:26:38    51.161044  +3.74  -15.17c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 175 04:27:15   808.135407  +4.68  -15.10c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 176 04:28:53    50.537191  +3.69  -14.80c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 177 04:29:43   280.991977  +4.33  -15.31c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 178 04:30:30    81.760445  +3.85  -15.39c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 179 04:31:16   289.580873  +4.33  -15.08c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 180 04:35:29    -3.938277  +3.06  -1.89    -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 181 04:36:26   116.837434  +4.02  -14.80c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 182 04:37:52   112.273859  +4.02  -15.48c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 183 04:38:57   289.240267  +4.37  -15.34c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 184 04:39:54   -14.242168  +2.62  -14.71c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 185 04:41:38    -0.014178  +3.26  -15.11c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 186 04:42:19    75.124960  +3.91  -15.42c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 187 04:43:23   771.010342  +4.72  -15.40c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 188 04:46:57   150.403491  +4.12  -15.41c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 189 04:47:39    16.377914  +3.45  -15.19c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 190 04:48:47    22.098022  +3.53  -15.36c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 191 04:49:27    24.956096  +3.56  -15.33c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 192 04:50:48   220.549594  +4.24  -15.29c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 193 04:51:32   103.825793  +3.98  -15.62c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 194 04:52:57    45.718465  +3.71  -15.34c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 195 04:54:04    17.626988  +3.47  -15.22c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 196 04:54:48    20.979541  +3.55  -15.25c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 197 04:55:47     2.793950  +3.31  -15.34c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 198 04:56:31    19.958514  +3.52  -15.42c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 199 04:57:12    25.049935  +3.57  -15.37c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 200 04:57:49   323.829745  +4.42  -15.44c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 201 04:58:32   646.326978  +4.64  -15.45c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 202 04:59:46    -4.304026  +3.11  -14.71c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 203 05:00:27    49.027501  +3.73  -15.22c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 204 05:01:17    43.251732  +3.69  -14.99c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 205 05:02:44    56.189001  +3.77  -14.98c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 206 05:03:26    21.362277  +3.51  -15.37c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 207 05:04:30   143.569802  +4.06  -15.46c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 208 05:05:59    38.972528  +3.63  -15.14c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 209 05:06:45    58.553234  +3.76  -15.31c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 210 05:07:37   113.544478  +3.98  -14.62c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 211 05:08:30    23.004577  +3.51  -14.85c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 212 05:09:10   221.403987  +4.23  -15.58c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 213 05:09:49   334.981618  +4.37  -15.42c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 214 05:10:50    57.710520  +3.74  -15.28c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 215 05:11:59   211.687317  +4.19  -15.52c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 216 05:12:37    71.553984  +3.81  -15.36c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 217 05:13:41    21.377818  +3.49  -15.51c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 218 05:14:24    -8.775570  +2.99  -15.25c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 219 05:15:06    98.355487  +3.96  -15.36c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 220 05:15:47    54.847798  +3.77  -15.30c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 221 05:16:48    20.484148  +3.54  -15.36c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 222 05:17:28     3.045473  +3.31  -15.27c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 223 05:18:29    21.574907  +3.57  -15.08c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 224 05:19:29    31.202209  +3.67  -15.44c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 225 05:20:28   111.683191  +4.07  -15.17c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 226 05:21:14    19.896741  +3.59  -14.87c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 227 05:21:58   796.962667  +4.81  -15.44c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 228 05:22:55  1031.479140  +4.84  -14.74c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 229 05:23:36    62.962121  +3.84  -15.21c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 230 05:25:01   597.822481  +4.65  -15.42c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 231 05:25:48   261.894519  +4.34  -15.45c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 232 05:26:27    14.467329  +3.44  -15.32c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 233 05:27:10    17.423435  +3.51  -15.57c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 234 05:29:22   152.410842  +4.15  -15.62c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 235 05:30:05    51.976088  +3.81  -15.01c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 236 05:30:49   556.287946  +4.62  -15.25c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 237 05:31:32   149.371723  +4.14  -15.32c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 238 05:32:15   173.414151  +4.20  -15.29c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 239 05:35:06     9.468761  +3.38  -15.39c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 240 05:36:09    60.647933  +3.83  -15.26c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 241 05:37:18   339.207658  +4.43  -15.41c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 242 05:37:58    17.363883  +3.48  -15.36c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 243 05:38:41    -1.153091  +3.21  -15.41c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 244 05:40:10   146.875344  +4.16  -15.33c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 245 05:40:48    61.193543  +3.84  -15.33c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 246 05:41:59    27.806390  +3.64  -15.14c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 247 05:43:30   524.436736  +4.61  -14.57c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 248 05:44:15   115.018082  +4.05  -15.42c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 249 05:45:26   291.979030  +4.43  -15.26c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 250 05:46:51   585.796166  +4.71  -14.96c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 251 05:49:42   188.605362  +4.29  -14.98c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 05:50:24   367.320823  +4.57  -15.32c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 253 05:51:34   275.230981  +4.49  -15.41c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 254 05:52:37     8.992612  +3.54  -14.85c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 05:53:23     7.848122  +3.48  -15.02c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 256 05:55:24   136.518556  +4.22  -14.77c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 257 05:56:10   101.091809  +4.10  -15.22c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 258 05:57:18    56.617954  +3.89  -15.15c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 05:58:20   146.150193  +4.23  -14.36c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 260 05:59:02    44.108864  +3.81  -15.20c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 261 06:00:22   218.951005  +4.34  -14.88c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 06:01:06    61.246673  +3.89  -15.34c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 263 06:01:50    64.689475  +3.91  -15.28c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 264 06:02:35    40.277824  +3.77  -15.20c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 265 06:04:06   249.699843  +4.39  -14.81c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 266 06:05:10    -7.209818  +3.14  -14.80c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 267 06:06:34    17.455030  +3.54  -14.73c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 268 06:07:31   624.967594  +4.72  -14.72c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 269 06:08:16   186.046080  +4.27  -15.26c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 270 06:09:05    14.842378  +3.53  -14.93c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 271 06:09:46    40.057977  +3.79  -15.09c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 272 06:10:24    68.820783  +3.94  -15.23c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 273 06:11:27   229.813941  +4.36  -15.45c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 274 06:12:27    96.314697  +4.03  -15.37c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 275 06:13:09   700.060661  +4.72  -15.24c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 276 06:14:20    44.281625  +3.75  -14.77c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 277 06:15:22   632.615468  +4.68  -15.16c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 278 06:17:02   360.839467  +4.46  -15.34c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 279 06:18:38   161.543769  +4.17  -14.83c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 280 06:19:41    -8.686365  +2.92  -15.00c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 281 06:20:25    -2.321053  +3.17  -15.47c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 282 06:21:05   619.698048  +4.64  -15.24c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 283 06:21:47    63.595226  +3.81  -15.49c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 06:22:47    32.025363  +3.62  -15.36c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 06:23:28    30.237235  +3.63  -15.17c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 06:24:13   890.020507  +4.80  -15.35c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 287 06:25:41   210.921659  +4.26  -15.51c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 06:27:09    -4.690294  +3.08  -14.89c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 289 06:28:00    -5.456992  +3.08  -15.55c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 290 06:28:40   328.610749  +4.41  -15.47c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 291 06:30:34   159.052764  +4.13  -15.33c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 292 06:31:54   296.592739  +4.37  -14.76c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 293 06:32:37    56.728249  +3.78  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 294 06:33:24   145.669789  +4.12  -15.44c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 295 06:34:11    61.822442  +3.81  -15.05c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 06:35:16   456.195356  +4.54  -15.40c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 297 06:36:20    82.763856  +3.91  -15.39c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 06:37:02   644.947332  +4.64  -15.04c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 06:38:08  1205.656676  +4.81  -15.27c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 300 06:39:06   373.353404  +4.44  -14.92c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 301 06:40:09   -16.977259  +2.35  -15.35c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 302 06:40:55     5.419821  +3.32  -15.23c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 303 06:41:38   252.173895  +4.33  -15.48c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 304 06:42:21   -14.156511  +2.77  -15.21c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 06:43:02    67.066767  +3.85  -15.29c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 06:43:51   133.524710  +4.09  -14.77c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 307 06:44:33   -11.711373  +2.84  -15.43c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 308 06:45:17   831.875961  +4.78  -15.30c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 309 06:45:58   356.847997  +4.51  -15.26c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 310 06:47:06    -1.817110  +3.14  -14.98c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 311 06:48:59    -2.047999  +3.26  -15.22c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 06:49:47    83.308558  +3.98  -15.48c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 313 06:50:28   237.351441  +4.34  -15.48c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 314 06:51:58   805.680568  +4.77  -15.28c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 315 06:53:03   418.748857  +4.56  -14.76c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 316 06:54:32    24.608210  +3.57  -15.25c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 06:55:55    66.474573  +3.88  -15.53c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 318 06:56:58   109.081014  +4.03  -15.26c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 319 06:57:42    91.679555  +3.98  -15.48c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 320 06:58:46    12.086981  +3.45  -15.32c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 321 06:59:29    17.779438  +3.53  -15.44c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 322 07:00:33    13.351459  +3.48  -15.19c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 323 07:01:21   641.232616  +4.73  -15.21c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 324 07:05:52     0.371805  +3.15  -1.84    -0.0000          33
MOM has detected variational collapse, occupied orbitals have changed
iter: 325 07:07:19   720.713071  +4.82  -15.04c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 326 07:08:21    66.034720  +3.93  -14.60c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 327 07:09:18     2.802230  +3.30  -14.97c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 328 07:10:02  1254.095292  +4.92  -15.38c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 329 07:10:42    69.307290  +3.88  -15.40c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 330 07:11:23   258.752586  +4.36  -15.08c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 331 07:12:55    99.525567  +4.01  -15.46c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 332 07:13:59    35.223923  +3.68  -14.51c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 333 07:15:05    48.318785  +3.76  -15.50c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 334 07:15:50    38.937488  +3.70  -15.58c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 335 07:16:52   127.651643  +4.09  -15.16c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 336 07:18:46    37.027497  +3.66  -15.23c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 337 07:19:46    53.706615  +3.82  -14.77c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 338 07:20:29   196.028169  +4.29  -15.27c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 339 07:21:15    10.858382  +3.48  -15.27c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 340 07:22:16    40.325096  +3.75  -14.70c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 341 07:23:51   112.474730  +4.09  -15.30c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 342 07:25:02    54.052693  +3.85  -15.24c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 343 07:25:46   254.180279  +4.41  -15.18c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 344 07:26:54    68.778327  +3.93  -15.26c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 345 07:27:58    45.382039  +3.81  -14.73c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 346 07:29:03    93.940136  +4.03  -15.10c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 347 07:30:48    93.841929  +4.05  -15.14c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 348 07:31:29   -11.628296  +2.92  -15.38c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 349 07:33:13    64.362855  +3.91  -15.33c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 07:33:56    30.442468  +3.70  -15.42c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 07:35:06  1014.453366  +4.87  -15.57c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 07:36:00   799.084855  +4.82  -15.07c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 353 07:36:40    -3.702507  +3.20  -15.55c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 07:37:36    -7.085512  +3.10  -14.76c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 355 07:38:23    44.316562  +3.80  -15.18c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 356 07:39:09   114.089977  +4.12  -15.31c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 357 07:39:56    49.669234  +3.83  -15.45c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 07:40:44     8.469293  +3.44  -15.06c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 07:41:31     3.995647  +3.37  -15.36c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 07:42:16    12.211721  +3.49  -15.45c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 361 07:43:02    12.565793  +3.50  -14.97c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 362 07:43:54    15.298164  +3.56  -15.31c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 363 07:45:01   115.938151  +4.14  -14.99c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 364 07:45:49    60.524577  +3.91  -15.44c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 365 07:47:13    73.104834  +3.97  -15.35c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 366 07:48:33    61.150968  +3.90  -14.52c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 367 07:50:00   120.662521  +4.13  -15.36c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 368 07:50:44    38.958971  +3.74  -15.30c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 369 07:52:36   326.670871  +4.49  -15.36c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 370 07:53:36    20.774773  +3.55  -14.69c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 371 07:54:44   294.720156  +4.45  -15.38c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 372 07:57:58    91.945769  +4.02  -15.00c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 373 07:59:03   205.320672  +4.32  -14.67c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 374 08:00:09    98.461420  +4.06  -15.35c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 375 08:00:54   243.214012  +4.38  -15.32c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 376 08:02:00   144.047152  +4.18  -15.08c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 377 08:03:12   652.976876  +4.73  -15.19c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 08:03:58    88.244751  +3.99  -15.39c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 08:04:57   368.973131  +4.50  -14.81c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 380 08:05:45    85.714183  +3.96  -15.27c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 08:06:39    78.614988  +3.95  -14.61c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 382 08:08:02   171.722534  +4.20  -15.14c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 383 08:09:41   646.204159  +4.70  -15.46c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 384 08:11:28   165.652005  +4.19  -14.91c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 08:12:43    70.669703  +3.86  -15.04c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 386 08:14:30    49.246054  +3.75  -14.70c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 387 08:15:30     9.872100  +3.37  -14.69c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 388 08:16:40   478.167210  +4.57  -14.74c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 389 08:17:20    87.844467  +3.94  -15.49c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 390 08:18:04    10.465890  +3.38  -15.26c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 391 08:18:48   956.658072  +4.79  -15.56c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 392 08:19:29   194.692892  +4.22  -15.12c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 393 08:20:16   169.037221  +4.16  -15.27c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 394 08:20:58   697.940301  +4.67  -15.10c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 395 08:22:09    20.921190  +3.44  -15.64c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 396 08:24:30    17.676725  +3.43  -15.25c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 397 08:26:05   148.199022  +4.11  -15.08c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 398 08:27:08    21.721840  +3.51  -14.83c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 399 08:28:17   112.621991  +4.02  -15.44c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 400 08:29:00   303.385090  +4.37  -15.43c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 401 08:30:11    96.243949  +3.97  -15.43c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 402 08:31:12    22.589700  +3.52  -14.54c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 403 08:32:19    13.648073  +3.43  -15.51c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 404 08:33:11   288.180246  +4.37  -14.86c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 405 08:33:53    67.163640  +3.83  -15.21c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 406 08:34:36   114.366163  +4.01  -15.35c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 407 08:36:26   235.768324  +4.25  -15.23c   +0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 408 08:37:45    56.648492  +3.78  -15.12c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 409 08:38:51     3.431781  +3.28  -14.81c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 410 08:39:48    53.058794  +3.79  -14.52c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 411 08:41:43   173.910399  +4.20  -15.20c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 412 08:43:09    58.725914  +3.81  -14.78c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 413 08:43:54    48.371882  +3.75  -15.04c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 414 08:44:38     1.359227  +3.24  -15.40c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 415 08:45:18    14.869035  +3.47  -15.52c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 416 08:46:00   153.724253  +4.16  -15.29c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 417 08:47:33   190.048985  +4.23  -15.19c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 418 08:48:55   114.967903  +4.06  -14.59c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 419 08:49:37    53.058575  +3.78  -15.39c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 420 08:51:21    30.762100  +3.64  -14.69c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 421 08:52:26    51.086356  +3.78  -15.30c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 08:53:15   285.096514  +4.39  -15.29c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 423 08:54:09  1542.104068  +4.91  -14.92c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 08:55:08   243.680944  +4.30  -14.87c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 425 08:55:51  1505.270570  +4.90  -15.23c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 426 08:56:49  1250.342041  +4.91  -14.73c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 08:57:36    93.017846  +3.99  -15.14c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 428 08:58:36   227.327930  +4.34  -14.78c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 08:59:14   258.349361  +4.37  -15.41c   -0.0000           8
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 08:59:56     2.397928  +3.33  -15.36c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 09:00:59   180.825198  +4.26  -15.29c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 432 09:01:42   207.166282  +4.30  -15.37c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 09:02:24   359.875837  +4.52  -15.48c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 434 09:03:10   464.468046  +4.62  -15.66c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 435 09:04:17   556.770436  +4.67  -15.07c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 436 09:05:01   113.865870  +4.06  -15.47c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 09:07:06    -6.673621  +3.08  -14.46c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 438 09:07:50    51.546544  +3.81  -15.46c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 439 09:08:52    47.643773  +3.77  -15.52c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 09:11:00    -1.873780  +3.20  -15.35c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 441 09:11:41   245.129078  +4.34  -15.14c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 442 09:13:16   793.713139  +4.82  -15.20c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 443 09:15:04    35.997762  +3.71  -14.49c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 09:15:46    25.453530  +3.64  -14.79c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 09:16:29   -11.943843  +2.80  -15.13c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 446 09:17:11     4.923886  +3.39  -15.29c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 447 09:18:39    65.826292  +3.92  -15.36c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 448 09:19:21   769.467484  +4.81  -15.46c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 449 09:20:00   486.680809  +4.65  -15.10c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 450 09:22:15    81.500297  +3.96  -15.27c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 451 09:23:40    68.859067  +3.92  -15.47c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 452 09:24:21   174.724148  +4.23  -15.26c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 453 09:25:02   405.823855  +4.53  -15.32c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 454 09:26:05   391.093197  +4.49  -15.08c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 455 09:26:48   507.139968  +4.56  -15.63c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 456 09:27:31   789.757030  +4.69  -15.28c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 457 09:28:25   928.466428  +4.72  -15.03c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 458 09:29:08   302.650557  +4.34  -15.11c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 459 09:30:52   300.574028  +4.33  -15.43c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 460 09:33:09   248.871615  +4.25  -14.63c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 09:34:08    60.867638  +3.75  -14.60c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 09:34:54    35.206373  +3.60  -15.22c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 463 09:36:15    12.016272  +3.34  -15.18c   +0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 464 09:37:35    85.456008  +3.87  -14.75c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 09:38:30    32.604674  +3.58  -14.56c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 466 09:39:11    25.543704  +3.51  -14.95c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 467 09:39:54     7.737948  +3.32  -15.40c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 468 09:40:46    51.198914  +3.70  -14.79c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 469 09:41:27    22.019988  +3.48  -15.32c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 470 09:42:06    62.927890  +3.76  -15.37c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 471 09:43:36   106.684571  +3.94  -15.58c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 472 09:44:31   398.178796  +4.40  -14.56c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 09:46:01    82.800352  +3.83  -14.67c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 09:47:01   235.701442  +4.22  -14.86c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 09:47:45   253.948234  +4.24  -15.33c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 09:48:37   199.629419  +4.15  -14.79c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 477 09:49:16    12.458428  +3.36  -15.42c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 09:49:56   289.942655  +4.29  -15.65c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 09:51:25     7.027714  +3.28  -15.24c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 09:53:10   413.234893  +4.42  -14.92c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 481 09:55:02    49.438687  +3.56  -15.29c   +0.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 482 09:56:21  1240.350456  +4.75  -14.83c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 483 09:57:31   213.731028  +4.19  -14.53c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 484 09:58:46    83.160268  +3.84  -14.91c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 10:00:14     4.436586  +3.19  -14.73c   -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 486 10:01:28   660.512464  +4.62  -14.50c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 487 10:02:41    52.823233  +3.69  -14.84c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 488 10:04:09   411.840897  +4.45  -14.68c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 489 10:05:19   582.100040  +4.56  -14.97c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 10:06:27   292.717601  +4.31  -14.97c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 491 10:07:57   903.128135  +4.70  -14.96c   +0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 10:08:59   828.093957  +4.66  -14.75c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 493 10:10:37   693.149740  +4.62  -14.81c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 494 10:11:51    46.128479  +3.64  -14.86c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 495 10:13:04   156.063218  +4.08  -14.86c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 496 10:14:13   244.922184  +4.25  -15.01c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 10:15:22   349.593195  +4.39  -14.61c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 10:16:13   442.496241  +4.50  -15.42c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 10:17:55   363.110124  +4.43  -14.73c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 500 10:19:24    73.077335  +3.80  -14.68c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 10:20:31   341.112081  +4.40  -15.05c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 10:21:56   450.812140  +4.50  -15.44c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 10:23:27   550.218302  +4.59  -14.84c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 504 10:24:51   359.653128  +4.42  -15.16c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 505 10:25:58  1210.722657  +4.82  -15.16c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 506 10:27:04    56.410583  +3.67  -15.10c   +0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 507 10:27:56    30.046250  +3.48  -15.50c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 508 10:29:03    29.152432  +3.48  -14.70c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 509 10:30:25   322.694917  +4.36  -15.00c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 510 10:32:46    95.461707  +3.90  -14.77c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 511 10:33:32    71.073919  +3.81  -15.12c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 512 10:34:46    78.250592  +3.82  -14.67c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 513 10:36:13    39.875011  +3.57  -15.01c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 514 10:37:00    71.176418  +3.79  -15.46c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 515 10:38:01    77.632653  +3.81  -14.78c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 10:39:13   150.667800  +4.06  -14.90c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 517 10:40:37    95.809444  +3.92  -14.64c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 518 10:42:10    17.245340  +3.34  -14.45c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 519 10:43:24    -1.060449  +3.12  -14.98c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 520 10:45:02    17.963324  +3.48  -14.67c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 521 10:46:23   124.353773  +4.04  -14.47c   +0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 522 10:47:10    13.032921  +3.41  -14.75c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 523 10:47:52    -0.434934  +3.21  -15.25c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 524 10:49:18     5.327082  +3.28  -15.32c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 525 10:50:12   174.070973  +4.16  -14.85c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 526 10:51:07    -5.701000  +3.03  -14.83c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 527 10:52:37    56.908367  +3.72  -15.35c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 528 10:53:39    29.433973  +3.54  -15.04c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 529 10:54:45    61.737354  +3.76  -14.69c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 10:56:45    -1.992886  +3.07  -15.22c   +0.0000          63
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 10:57:54    -9.684446  +2.90  -14.86c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 532 10:58:57    27.290410  +3.56  -14.57c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 533 10:59:50    20.640252  +3.50  -14.67c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 534 11:00:58    68.934943  +3.80  -14.86c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 535 11:02:10    41.590155  +3.66  -14.37c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 536 11:03:03    -5.909699  +3.00  -15.03c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 537 11:03:50   -16.208392  +2.33  -15.28c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 538 11:04:48    16.165985  +3.46  -14.60c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 539 11:05:45     8.798843  +3.37  -14.82c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 540 11:06:28    60.284821  +3.81  -15.09c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 541 11:07:10    46.972877  +3.72  -15.52c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 542 11:08:51    60.593608  +3.74  -15.35c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 543 11:09:58   195.244545  +4.20  -14.95c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 544 11:11:11   300.216352  +4.37  -14.92c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 545 11:12:25    85.298030  +3.91  -14.87c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 546 11:13:21    20.457726  +3.48  -14.98c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 547 11:14:11    38.773459  +3.65  -15.43c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 548 11:15:42   135.623495  +4.07  -15.00c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 549 11:16:57   111.949363  +4.00  -14.71c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 550 11:18:12    11.657901  +3.38  -14.85c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 551 11:19:20    18.229657  +3.50  -14.72c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 552 11:20:29    68.734733  +3.84  -14.76c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 553 11:21:31   194.964737  +4.21  -14.90c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 11:22:25   236.889180  +4.29  -14.53c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 555 11:23:21    36.262473  +3.63  -14.74c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 11:24:22     9.978117  +3.33  -14.84c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 11:25:46    11.927213  +3.40  -14.97c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 11:26:52     4.005172  +3.18  -14.50c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 559 11:27:54    -2.950364  +3.21  -15.08c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 560 11:28:37    79.013936  +3.90  -15.50c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 11:29:53   136.620045  +4.11  -14.84c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 562 11:30:34    46.393803  +3.74  -15.40c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 11:31:13   476.410393  +4.56  -15.55c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 11:33:01  1290.063491  +4.85  -15.35c   -0.0000          42
MOM has detected variational collapse, occupied orbitals have changed
iter: 565 11:34:19    10.713433  +3.24  -14.88c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 566 11:35:30    40.866709  +3.67  -15.50c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 11:36:32    23.806301  +3.55  -14.86c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 568 11:37:29   608.371892  +4.66  -14.63c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 11:38:48    38.775399  +3.70  -15.03c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 570 11:39:44     2.565867  +3.26  -14.80c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 11:40:41     7.234456  +3.36  -14.83c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 572 11:41:27    66.639884  +3.90  -15.31c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 573 11:42:19    72.852430  +3.93  -14.67c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 11:43:02  1028.238655  +4.85  -15.24c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 575 11:43:46   222.167572  +4.30  -15.51c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 576 11:45:20    94.288730  +3.98  -14.99c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 577 11:46:32    -2.822243  +3.06  -14.79c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 11:47:36    14.766670  +3.44  -14.79c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 579 11:48:43     6.882077  +3.35  -14.97c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 580 11:49:29    81.827368  +3.95  -15.39c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 581 11:50:15    12.729644  +3.44  -14.99c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 582 11:51:02     7.863430  +3.34  -15.31c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 11:51:46     7.137755  +3.31  -15.12c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 584 11:53:02    36.124049  +3.70  -14.79c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 11:54:25   305.804738  +4.46  -15.57c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 11:55:50    30.198608  +3.65  -14.72c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 11:56:43     5.174721  +3.36  -14.88c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 588 11:57:27    98.287025  +4.04  -15.17c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 11:58:23    29.070795  +3.66  -15.21c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 11:59:12   386.648354  +4.53  -15.14c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 591 12:00:12    55.721922  +3.80  -14.81c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 592 12:01:17     2.207248  +3.25  -14.63c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 12:01:58    22.261064  +3.55  -15.38c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 594 12:02:38   195.530701  +4.27  -15.16c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 595 12:03:32    70.225919  +3.89  -14.63c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 596 12:04:28   102.614738  +4.04  -15.15c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 597 12:05:40    22.197413  +3.52  -15.35c   +0.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 598 12:06:46    25.778327  +3.59  -14.72c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 599 12:07:45    58.690973  +3.83  -15.06c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 600 12:08:26    14.371691  +3.45  -15.55c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 601 12:09:38     1.594684  +3.27  -15.36c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 602 12:10:48    31.981080  +3.65  -14.86c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 603 12:11:52   629.982551  +4.74  -14.53c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 604 12:13:01   448.722366  +4.60  -14.85c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 605 12:13:58   224.169597  +4.34  -14.81c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 606 12:14:56    12.674621  +3.44  -14.85c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 607 12:17:12    12.601374  +3.46  -14.72c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 608 12:17:59    64.723262  +3.90  -15.34c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 609 12:18:53   114.482211  +4.08  -15.16c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 610 12:20:05     4.205284  +3.23  -15.37c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 611 12:21:06    98.591117  +4.02  -14.74c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 12:22:15   258.545223  +4.38  -14.56c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 613 12:23:21   141.542664  +4.14  -14.65c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 614 12:24:29   149.019929  +4.18  -15.00c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 615 12:25:39   -14.239327  +2.28  -14.93c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 616 12:26:54    50.782262  +3.80  -14.72c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 617 12:28:05   262.741706  +4.40  -14.77c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 618 12:29:05   123.976175  +4.12  -14.92c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 619 12:30:54   248.708598  +4.35  -15.16c   -0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 620 12:32:10    45.134840  +3.68  -14.61c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 621 12:33:21    -0.463637  +3.19  -14.74c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 622 12:34:21  1175.757266  +4.99  -14.65c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 12:35:53   181.618589  +4.30  -14.70c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 624 12:37:48   116.936826  +4.14  -14.54c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 625 12:38:44   168.633488  +4.27  -14.92c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 12:39:36   401.450111  +4.62  -14.89c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 12:40:58    62.124891  +3.92  -15.15c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 12:42:17    61.932389  +3.94  -14.82c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 629 12:43:40     5.374903  +3.36  -14.77c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 630 12:44:51   -10.242546  +2.99  -14.66c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 631 12:45:51    33.043069  +3.75  -14.78c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 632 12:46:54    -4.285212  +3.21  -14.83c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 633 12:47:52    -3.203605  +3.20  -14.65c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 12:49:38    91.730582  +4.09  -15.18c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 635 12:50:26    34.065735  +3.79  -15.24c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 636 12:51:21    -1.981533  +3.29  -14.63c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 637 12:53:55     7.509866  +3.46  -15.61c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 638 12:54:41    -8.116974  +3.13  -15.49c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 639 12:55:31     9.145443  +3.59  -15.29c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 640 12:56:20    23.205832  +3.72  -14.77c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 641 12:57:09   178.038985  +4.35  -15.30c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 642 12:58:26    34.719954  +3.83  -14.79c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 643 12:59:30    99.462989  +4.13  -15.44c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 644 13:00:24    40.716438  +3.83  -15.06c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 645 13:01:21   284.553272  +4.49  -14.88c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 646 13:02:00   170.408948  +4.30  -15.37c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 13:02:41   584.557968  +4.81  -15.26c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 648 13:03:21   213.992414  +4.40  -14.99c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 649 13:04:04    36.457932  +3.78  -15.44c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 650 13:04:44    34.430123  +3.76  -15.62c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 651 13:05:28    51.143198  +3.87  -15.39c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 13:06:38   282.568757  +4.48  -14.95c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 653 13:07:36   124.326730  +4.16  -14.81c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 13:08:46   386.649910  +4.58  -14.94c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 655 13:09:36  1320.870347  +4.93  -15.51c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 656 13:10:34   151.901550  +4.18  -14.76c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 657 13:11:23   746.645588  +4.77  -14.90c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 13:12:08    38.484837  +3.71  -15.17c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 13:13:08   348.593757  +4.51  -15.15c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 13:13:53  1429.667343  +4.91  -15.01c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 13:14:45     6.038432  +3.34  -14.78c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 662 13:15:50  1119.740166  +4.90  -15.57c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 663 13:16:57    93.669560  +3.99  -15.41c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 664 13:17:54   157.884924  +4.18  -14.82c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 13:19:27    20.426281  +3.58  -14.93c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 666 13:20:08    11.747888  +3.45  -15.48c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 667 13:23:03    76.795347  +3.94  -15.02c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 668 13:23:50     8.544479  +3.45  -15.38c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 669 13:25:56    54.504181  +3.85  -15.17c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 13:28:48    14.287729  +3.51  -15.37c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 671 13:31:49    13.842565  +3.51  -15.03c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 672 13:32:43     1.959031  +3.33  -14.66c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 673 13:33:29   -10.349858  +3.03  -14.92c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 674 13:37:20   463.270167  +4.61  -14.70c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 675 13:38:49   306.786778  +4.46  -15.32c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 676 13:39:55   486.526542  +4.62  -15.02c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 677 13:40:51   770.398770  +4.77  -14.49c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 678 13:41:46    19.861151  +3.56  -14.98c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 679 13:42:31    36.760348  +3.72  -15.36c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 680 13:43:14    13.570956  +3.47  -15.10c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 681 13:43:59   -10.156051  +3.10  -15.31c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 13:45:01    13.971108  +3.50  -15.45c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 683 13:45:42    18.430542  +3.57  -15.23c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 684 13:46:48   601.264324  +4.65  -15.42c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 685 13:47:39   578.576457  +4.66  -14.96c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 686 13:48:31   106.973398  +4.04  -15.04c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 687 13:49:13   376.043368  +4.54  -15.03c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 688 13:50:03   531.453713  +4.63  -15.35c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 689 13:50:58     6.372791  +3.44  -15.14c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 690 13:52:00   867.701583  +4.80  -14.94c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 691 13:53:28    -7.535435  +3.22  -14.98c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 692 13:54:52   405.513675  +4.53  -15.46c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 693 13:56:00    72.948534  +3.89  -15.24c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 694 13:58:28   396.278207  +4.55  -15.15c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 13:59:12   128.832396  +4.10  -15.13c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 14:00:15   325.188802  +4.44  -14.76c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 697 14:01:35    28.981528  +3.64  -14.68c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 698 14:03:16   416.247995  +4.56  -14.99c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 699 14:04:25   501.529413  +4.65  -14.58c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 700 14:05:17     3.213412  +3.35  -14.70c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 701 14:06:04   212.967863  +4.34  -15.33c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 702 14:06:57   353.195470  +4.53  -14.56c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 703 14:08:16    -9.644340  +3.10  -14.74c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 704 14:09:16   174.419831  +4.26  -14.58c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 705 14:10:07   152.849713  +4.22  -14.72c   -0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 706 14:11:11   132.510632  +4.14  -15.03c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 707 14:11:53   553.842632  +4.66  -15.62c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 708 14:12:48   819.367263  +4.81  -14.48c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 709 14:13:44   427.046051  +4.57  -14.85c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 14:14:24    -2.273333  +3.24  -15.32c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 711 14:15:06   454.449497  +4.62  -15.24c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 712 14:15:46   505.947208  +4.64  -15.46c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 713 14:16:27   505.500117  +4.63  -15.52c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 714 14:17:06   633.603852  +4.67  -15.48c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 715 14:17:50    56.293271  +3.80  -15.63c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 716 14:18:51   215.467713  +4.29  -14.72c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 717 14:19:47    50.037543  +3.77  -14.92c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 718 14:20:35    11.721683  +3.47  -15.22c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 719 14:22:35    64.122649  +3.84  -14.90c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 14:23:20    82.829581  +3.92  -15.31c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 721 14:24:44   511.556281  +4.62  -15.26c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 722 14:25:54  1123.211397  +4.87  -14.69c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 14:26:59   202.064181  +4.27  -14.67c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 724 14:28:11    73.127760  +3.89  -14.47c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 14:29:16    20.394321  +3.53  -14.90c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 726 14:30:07    37.984303  +3.69  -15.08c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 727 14:31:39   208.754074  +4.27  -14.97c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 728 14:32:46   445.963642  +4.59  -14.89c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 729 14:34:39   376.359336  +4.53  -14.87c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 730 14:36:20    41.013986  +3.75  -14.85c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 731 14:37:30    17.730851  +3.51  -15.18c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 732 14:39:01   624.132665  +4.71  -14.91c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 733 14:40:18   455.412900  +4.58  -14.99c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 734 14:41:27  1025.755966  +4.82  -15.19c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 14:42:27   483.463878  +4.60  -14.63c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 14:43:41   408.851147  +4.54  -14.66c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 14:44:48   357.891551  +4.53  -14.80c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 738 14:45:51   124.539911  +4.15  -14.55c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 739 14:46:58   385.086344  +4.57  -15.14c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 14:48:14   140.875942  +4.20  -14.92c   -0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 14:49:21   302.477256  +4.50  -15.00c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 742 14:50:24    25.750512  +3.65  -14.50c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 743 14:51:25   336.653553  +4.53  -14.59c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 744 14:52:29   162.033561  +4.26  -14.99c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 745 14:53:31     1.721801  +3.20  -14.96c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 14:54:39   545.418145  +4.72  -14.73c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 14:55:52   472.941295  +4.65  -14.73c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 748 14:56:57   503.153478  +4.68  -14.99c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 749 14:58:01   415.860841  +4.59  -14.91c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 750 14:59:15    -0.003786  +3.26  -14.84c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 15:00:32    15.641604  +3.50  -14.88c   -0.0000          24
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 15:01:42     2.494419  +3.30  -15.04c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 753 15:03:07   126.626412  +4.17  -15.11c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 754 15:04:11   659.838749  +4.79  -14.85c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 755 15:05:13   250.782744  +4.44  -14.90c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 756 15:06:04    82.639799  +4.03  -14.66c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 757 15:07:04   610.752168  +4.81  -15.48c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 758 15:08:09    -8.545486  +3.04  -14.85c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 759 15:09:34   168.717670  +4.30  -15.00c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 760 15:10:43   206.707445  +4.36  -15.39c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 761 15:11:45   593.741821  +4.82  -14.87c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 15:13:53    54.693425  +3.88  -15.12c   +0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 763 15:15:24   539.542427  +4.84  -14.87c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 764 15:18:48   174.834608  +4.36  -14.69c   -0.0000          64
MOM has detected variational collapse, occupied orbitals have changed
iter: 765 15:20:39   503.175561  +4.82  -14.74c   +0.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 15:21:56    83.631251  +4.07  -14.46c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 15:23:06    65.444858  +4.00  -14.70c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 768 15:24:30   303.694652  +4.60  -15.37c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 769 15:26:11   216.709015  +4.51  -14.60c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 770 15:27:30    53.926313  +3.96  -15.42c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 15:29:01     1.264550  +3.33  -14.58c   -0.0000          32
MOM has detected variational collapse, occupied orbitals have changed
iter: 772 15:30:25   216.408998  +4.51  -14.82c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 773 15:31:33     8.493319  +3.50  -14.88c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 774 15:32:42   490.191145  +4.82  -15.00c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 775 15:33:45  1002.514947  +5.08  -14.86c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 15:34:42    71.268435  +4.07  -14.78c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 15:36:07    27.623607  +3.77  -14.88c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 778 15:37:07   103.968795  +4.22  -15.28c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 779 15:38:19    39.770371  +3.90  -14.48c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 780 15:39:45    41.909388  +3.90  -14.76c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 781 15:40:52    30.021413  +3.82  -14.83c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 782 15:41:57   154.185363  +4.35  -14.94c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 15:42:53   150.352912  +4.33  -15.28c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 15:44:15    48.159495  +3.91  -14.92c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 785 15:45:48   271.121239  +4.56  -15.00c   -0.0000          31
MOM has detected variational collapse, occupied orbitals have changed
iter: 786 15:47:08   138.873796  +4.34  -14.76c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 15:48:21    37.846709  +3.85  -14.78c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 15:49:40    83.058994  +4.18  -14.76c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 15:50:48    14.468424  +3.65  -14.81c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 15:52:05    31.870968  +3.88  -14.98c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 15:53:06    -6.095824  +3.03  -14.78c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 15:54:14    61.919637  +4.13  -14.62c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 793 15:55:13    23.084891  +3.79  -14.90c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 15:56:53    59.853829  +4.08  -15.28c   -0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 15:58:29   180.709788  +4.52  -14.58c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 15:59:31    79.619456  +4.19  -15.38c   -0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 797 16:00:48   316.057562  +4.75  -14.96c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 798 16:01:34   190.079492  +4.53  -15.38c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 16:02:41    31.253461  +3.84  -14.68c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 16:04:22   305.211416  +4.70  -14.90c   -0.0000          37
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 16:05:42   547.285185  +4.94  -14.87c   +0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 16:07:25   599.557328  +4.99  -14.78c   +0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 16:08:57    88.286207  +4.26  -14.67c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 16:10:00    78.853257  +4.24  -14.55c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 16:11:04   111.336683  +4.38  -14.91c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 16:11:44    51.989852  +4.11  -15.42c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 16:12:30    55.017372  +4.13  -15.25c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 16:14:18    11.112087  +3.76  -15.37c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 16:15:41    -5.492425  +3.41  -14.97c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 16:16:25    22.102662  +3.89  -15.17c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 16:17:30   192.873019  +4.59  -15.04c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 16:18:30   572.817237  +4.98  -15.10c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 16:19:30   435.626651  +4.91  -14.65c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 16:20:28   369.243768  +4.85  -14.92c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 16:21:22   597.599253  +4.99  -14.76c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 16:23:02   325.607186  +4.73  -14.94c   -0.0000          27
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 16:24:21    86.746360  +4.22  -14.89c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 16:25:47    17.006963  +3.78  -14.91c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 16:26:47    60.696784  +4.11  -14.94c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 16:27:53   919.441093  +5.16  -14.96c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 16:29:50   467.223294  +4.96  -14.80c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 16:31:20    17.001493  +3.73  -14.83c   -0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 16:32:25    -6.553696  +3.11  -14.97c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 16:33:40    91.141192  +4.34  -14.73c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 16:34:49    36.392524  +4.03  -14.74c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 16:35:49    19.879303  +3.87  -14.77c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 16:37:08    47.487336  +4.08  -15.18c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 16:38:15    25.737977  +3.88  -14.81c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 16:39:23   220.786604  +4.63  -15.41c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 16:41:10   165.800272  +4.51  -15.12c   +0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 16:42:21   126.738798  +4.40  -14.73c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 832 16:43:40    72.795704  +4.24  -15.11c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 833 16:44:53   173.469426  +4.55  -14.90c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 16:46:06    24.504914  +3.86  -14.99c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 16:47:22    21.488684  +3.88  -14.77c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 16:48:25    18.432755  +3.85  -14.97c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 16:49:34    88.657754  +4.30  -15.01c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 838 16:50:57    26.279791  +3.87  -14.85c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 16:52:13    56.500327  +4.12  -14.70c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 16:53:27    12.483866  +3.72  -14.84c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 16:54:35   127.235954  +4.42  -14.88c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 16:55:33    70.081583  +4.20  -14.45c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 16:57:10    20.130460  +3.86  -14.79c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 16:58:19    36.485871  +3.99  -14.96c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 16:59:20    16.870245  +3.82  -14.83c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 17:00:20    -1.343394  +3.49  -14.72c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 17:01:08    17.519925  +3.82  -15.34c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 17:01:59    23.021701  +3.86  -14.64c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 17:02:50    80.805827  +4.23  -15.73c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 17:04:00    47.786792  +4.05  -14.73c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 17:05:41    -3.856596  +3.46  -14.71c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 17:06:30    14.533919  +3.77  -15.31c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 853 17:07:32    37.780498  +3.99  -14.79c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 17:08:36    26.161554  +3.88  -15.10c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 855 17:09:40   150.114807  +4.45  -14.93c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 856 17:10:43   224.817279  +4.60  -14.57c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 17:11:29   144.133899  +4.41  -15.45c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 17:12:59    27.154402  +3.84  -14.38c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 17:13:59   156.847487  +4.46  -14.93c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 17:15:19   246.082642  +4.60  -15.38c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 17:16:11   175.256206  +4.46  -15.35c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 17:18:27    81.264526  +4.17  -14.63c   +0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 17:20:31    65.280923  +4.14  -14.81c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 17:21:33    26.728559  +3.88  -14.97c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 17:22:35    12.247639  +3.73  -14.95c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 17:23:34    74.565520  +4.19  -14.61c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 17:24:19   246.080890  +4.65  -15.46c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 868 17:25:00    83.757251  +4.23  -15.50c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 869 17:25:44   117.390421  +4.35  -15.35c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 17:26:42   102.899696  +4.29  -14.71c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 17:27:43   114.625039  +4.32  -14.85c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 17:28:45   -10.921798  +3.01  -14.90c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 17:30:06    18.233210  +3.80  -14.69c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 17:31:01    83.140635  +4.21  -14.82c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 17:32:12    42.255499  +3.99  -14.89c   +0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 876 17:33:10    47.540325  +4.01  -14.90c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 877 17:33:55    61.457796  +4.08  -15.41c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 878 17:34:37   115.858325  +4.30  -15.13c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 17:36:02   106.263231  +4.24  -15.17c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 880 17:36:47   304.956534  +4.64  -15.46c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 881 17:37:53   789.185783  +5.08  -15.29c   -0.0000          28
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 17:39:17   605.093406  +4.96  -15.31c   -0.0000          26
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 17:40:21    53.467617  +4.05  -14.63c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 17:41:12   372.026744  +4.81  -15.18c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 17:42:16    33.162596  +3.86  -15.01c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 17:43:46    21.585864  +3.78  -14.69c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 887 17:44:56   411.142388  +4.86  -15.18c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 888 17:46:17   460.888380  +4.89  -14.91c   -0.0000          29
MOM has detected variational collapse, occupied orbitals have changed
iter: 889 17:47:22    81.803422  +4.22  -14.70c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 890 17:48:57   221.777891  +4.65  -14.58c   +0.0000          25
MOM has detected variational collapse, occupied orbitals have changed
iter: 891 17:50:20   290.639659  +4.73  -14.98c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 892 17:51:22   204.631960  +4.57  -14.86c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 893 17:52:09   437.180553  +4.83  -15.46c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 894 17:53:00   217.123959  +4.56  -15.32c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 895 17:54:03   335.113863  +4.70  -14.73c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 896 17:55:06    31.197283  +3.88  -14.73c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 897 17:56:31   228.350257  +4.54  -14.64c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 898 17:57:41     9.332610  +3.61  -15.26c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 899 18:00:37    42.051937  +3.91  -15.63c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 900 18:04:12    59.337536  +4.06  -15.28c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 901 18:05:11    49.466237  +4.00  -15.03c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 902 18:06:01   353.274066  +4.69  -15.30c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 903 18:07:36    31.246755  +3.84  -14.91c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 904 18:08:53   386.030874  +4.76  -14.65c   -0.0000          21
MOM has detected variational collapse, occupied orbitals have changed
iter: 905 18:09:58   638.930136  +4.96  -14.78c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 906 18:10:40   231.524793  +4.56  -15.21c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 907 18:11:33   414.401396  +4.75  -14.83c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 908 18:12:35    23.971927  +3.79  -14.93c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 909 18:13:26    62.673847  +4.05  -15.25c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 910 18:14:27    81.428508  +4.14  -15.10c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 911 18:15:11    89.777871  +4.16  -15.22c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 912 18:15:53   589.732384  +4.84  -15.32c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 18:16:51    -5.376178  +3.28  -14.90c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 18:17:35   471.013573  +4.76  -15.37c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 915 18:18:32   480.058749  +4.74  -14.98c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 18:19:17  1526.304389  +5.08  -15.38c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 917 18:20:57    17.302613  +3.61  -14.87c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 18:21:40    -9.051355  +3.12  -15.51c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 18:22:42   -12.258427  +2.92  -15.01c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 920 18:23:24    35.373874  +3.77  -15.32c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 921 18:24:13   137.705312  +4.21  -15.14c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 18:24:55    41.073037  +3.82  -15.48c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 923 18:25:40    41.305144  +3.80  -15.35c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 924 18:26:42    -9.237511  +3.06  -15.31c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 18:27:41    -8.661881  +3.07  -15.13c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 926 18:28:24    -7.556692  +3.14  -15.42c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 927 18:29:04   -18.191194  +2.40  -15.26c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 928 18:29:45    -5.859077  +3.27  -15.19c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 929 18:30:33     6.578286  +3.45  -15.27c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 930 18:31:17    -8.180667  +3.19  -15.11c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 931 18:31:57    34.915021  +3.81  -15.47c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 932 18:32:44    20.327487  +3.64  -15.27c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 933 18:33:39    45.838320  +3.81  -14.81c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 934 18:34:21    49.929103  +3.85  -15.18c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 935 18:35:02    -8.116146  +3.14  -15.15c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 936 18:35:43    42.201482  +3.80  -15.35c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 937 18:36:57    15.321263  +3.53  -15.09c   -0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 938 18:37:51     9.449126  +3.51  -14.91c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 939 18:39:28   107.984588  +4.10  -15.13c   -0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 940 18:40:30    94.464407  +4.06  -14.49c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 941 18:41:30    32.635874  +3.74  -14.96c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 942 18:42:12    63.491056  +3.96  -15.34c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 943 18:42:53    17.067614  +3.64  -15.61c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 944 18:43:37    74.543474  +3.99  -15.32c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 945 18:44:36   189.733478  +4.32  -14.96c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 946 18:45:29    48.956916  +3.83  -14.67c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 947 18:46:13    35.786956  +3.75  -15.24c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 948 18:46:57    10.488610  +3.47  -15.32c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 949 18:47:39    67.942707  +3.96  -15.38c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 18:49:30    -9.126860  +3.03  -15.47c   -0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 951 18:50:14   337.878412  +4.50  -15.29c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 952 18:51:02   317.547302  +4.47  -15.21c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 953 18:51:56   570.657601  +4.68  -14.35c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 954 18:52:40   243.508232  +4.36  -15.25c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 955 18:53:23    -1.528279  +3.36  -15.30c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 956 18:54:12   591.546204  +4.69  -15.55c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 957 18:55:10   526.237826  +4.64  -14.82c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 958 18:55:51   124.603395  +4.10  -15.35c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 18:56:37   545.138086  +4.63  -15.20c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 960 18:57:30   525.835679  +4.62  -14.59c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 961 18:58:15   314.472756  +4.47  -15.49c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 962 18:59:29   416.662964  +4.60  -15.19c   +0.0000          19
MOM has detected variational collapse, occupied orbitals have changed
iter: 963 19:00:34   164.804806  +4.25  -14.75c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 964 19:01:52   570.517433  +4.73  -15.42c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 965 19:03:10   188.599209  +4.32  -14.53c   +0.0000          23
MOM has detected variational collapse, occupied orbitals have changed
iter: 966 19:04:33    24.827732  +3.66  -14.94c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 967 19:05:37   214.664624  +4.40  -14.87c   -0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 968 19:06:54    23.578166  +3.68  -14.73c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 969 19:08:16    64.926982  +3.97  -15.48c   +0.0000          22
MOM has detected variational collapse, occupied orbitals have changed
iter: 970 19:09:11   191.827754  +4.35  -14.60c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 971 19:10:20    24.860973  +3.71  -15.34c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 972 19:11:22    46.121207  +3.87  -15.00c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 973 19:13:02    48.715056  +3.88  -14.52c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 19:14:19    26.924157  +3.72  -14.94c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 975 19:16:51   -10.001416  +2.97  -15.32c   +0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 976 19:17:55   261.944731  +4.49  -15.52c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 977 19:18:37   183.256268  +4.37  -15.21c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 978 19:19:23    10.364285  +3.54  -15.41c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 979 19:20:51    -0.290792  +3.39  -15.46c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed
iter: 980 19:21:32   -18.746549  +2.51  -15.30c   -0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 981 19:23:36    -7.083540  +3.23  -15.19c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 982 19:24:19   234.176632  +4.47  -15.22c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 983 19:25:04   187.806587  +4.39  -15.42c   -0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 984 19:26:06   150.267717  +4.29  -15.04c   +0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 985 19:27:03    81.247722  +4.08  -14.94c   -0.0000          13
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 19:28:04    72.130720  +4.04  -14.61c   -0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 19:28:44   283.950503  +4.55  -14.95c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 988 19:29:27   221.791969  +4.43  -15.34c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 989 19:30:06   172.000675  +4.31  -15.07c   +0.0000           9
MOM has detected variational collapse, occupied orbitals have changed
iter: 990 19:30:49   301.700618  +4.50  -15.13c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 991 19:31:31    37.258024  +3.79  -15.35c   -0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 19:32:33    87.062573  +4.04  -15.27c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 993 19:33:21    46.483149  +3.85  -15.49c   +0.0000          16
MOM has detected variational collapse, occupied orbitals have changed
iter: 994 19:34:20   106.709561  +4.13  -15.00c   +0.0000          17
MOM has detected variational collapse, occupied orbitals have changed
iter: 995 19:35:17   153.465628  +4.25  -15.00c   +0.0000          12
MOM has detected variational collapse, occupied orbitals have changed
iter: 996 19:36:49    67.276999  +3.94  -15.17c   +0.0000          18
MOM has detected variational collapse, occupied orbitals have changed
iter: 997 19:37:45    10.683541  +3.52  -14.78c   +0.0000          14
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 19:38:36   718.492220  +4.79  -14.87c   +0.0000          11
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 19:39:53   270.450928  +4.42  -15.15c   +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 19:40:56     7.323180  +3.39  -14.70c   -0.0000          15
MOM has detected variational collapse, occupied orbitals have changed

Did not converge!

Here are some tips:

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

See details here:

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


