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

User:   aes38@compute-83
Date:   Fri Oct 20 15:24:50 2023
Arch:   x86_64
Pid:    668474
CWD:    /users/home/aes38/Rydberg/new/ethylene/TPSS/seventhext/cg
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 ../triplet.gpw
Read dipole, energy, free_energy, magmom, magmoms
Reading input parameters:
  basis: aug-cc-pVDZ_PBE.sz
  convergence: {bands: occupied,
                density: 0.0001,
                eigenstates: 0.00031622776601683794,
                energy: 0.0005}
  eigensolver: {blocksize: 1,
                converge_unocc: False,
                excited_state: True,
                functional: {'name': 'ks'},
                grad_tol_inner_loop: 0.0005,
                grad_tol_pz_localization: 0.0005,
                linesearch_algo: {'name': 'max-step', 'max_step': 0.2},
                localization_tol: None,
                localizationseed: None,
                localizationtype: None,
                max_step_inner_loop: 0.2,
                maxiter_inner_loop: 100,
                maxiter_pz_localization: 50,
                maxiter_unocc: 333,
                momevery: 10,
                name: etdm-fdpw,
                need_init_orbs: False,
                need_localization: False,
                printinnerloop: 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: {interpolation: 3,
         name: fd,
         nn: 3}
  nbands: -10
  occupations: {name: mom,
                numbers: [[1. 1. 1. ... 0. 0. 0.]
 [1. 1. 1. ... 0. 0. 0.]],
                update_numbers: True,
                use_fixed_occupations: False,
                use_projections: True}
  spinpol: True
  symmetry: off
  xc: TPSS

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: 0.000316228 eV^2 / valence electron
 Maximum number of scf [iter]ations: 1000
 (Square brackets indicate name in SCF output, whereas a 'c' in
 the SCF output indicates the quantity has converged.)

Symmetries present (total): 1

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

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

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

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

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

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

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

Hamiltonian:
  XC and Coulomb potentials evaluated on a 264*288*296 grid
  Using the TPSS 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: TPSS with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 182.59 MiB
  Calculator: 31.93 MiB
    Density: 11.28 MiB
      Arrays: 11.20 MiB
      Localized functions: 0.08 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 9.26 MiB
      Arrays: 8.33 MiB
      XC: 0.92 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 11.39 MiB
      Arrays psit_nG: 9.84 MiB
      Eigensolver: 1.54 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

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

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

... initialized

Input parameters:
  convergence: {eigenstates: 1e-06}
  eigensolver: {blocksize: 1,
                converge_unocc: False,
                excited_state: True,
                functional: {'name': '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': 'fr-cg'},
                use_prec: True}

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.)

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

Eigensolver
   Direct minimisation using exponential transformation.
       Search direction: Fletcher-Reeves conj. grad. method
       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
 

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

XC parameters: TPSS with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 245.45 MiB
  Calculator: 31.93 MiB
    Density: 11.28 MiB
      Arrays: 11.20 MiB
      Localized functions: 0.08 MiB
      Mixer: 0.00 MiB
    Hamiltonian: 9.26 MiB
      Arrays: 8.33 MiB
      XC: 0.92 MiB
      Poisson: 0.00 MiB
      vbar: 0.01 MiB
    Wavefunctions: 11.39 MiB
      Arrays psit_nG: 9.84 MiB
      Eigensolver: 1.54 MiB
      Projections: 0.00 MiB
      Projectors: 0.01 MiB

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

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

... initialized

Initializing position-dependent things.

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

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

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

  Lengths:  20.000000  21.847084  22.456465
  Angles:   90.000000  90.000000  90.000000

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

     iter     time        total  log10-change:  magmom         iter
                         energy  eigst   dens             inner loop
iter:   1 15:25:00   -27.009951  -3.57  -4.22c   -2.0000           2
iter:   2 15:25:06   -27.009910  -2.44  -2.90    -2.0000           4
iter:   3 15:25:18   -27.001332  -0.24  -3.08    -2.0000           8
iter:   4 15:25:35   -23.923375  +2.39  -5.09c   -2.0000          12
iter:   5 15:25:53   -15.613445  +2.95  -4.43c   -2.0000          13
iter:   6 15:26:23    -1.355653  +3.33  -5.18c   -2.0000          19
iter:   7 15:26:50    15.157381  +3.52  -4.98c   -2.0000          18
iter:   8 15:27:18    31.309094  +3.80  -1.96    -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:   9 15:27:44   -12.871810  +2.80  -2.29    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  10 15:28:39   -16.320815  +2.69  -4.68c   -2.0000          34
iter:  11 15:29:12   -23.564633  +1.91  -4.50c   -2.0000          22
iter:  12 15:29:48   -25.473794  +1.41  -4.20c   -2.0000          25
iter:  13 15:30:40   -26.077869  +1.08  -4.67c   -2.0000          36
iter:  14 15:30:54   -26.303237  +0.66  -2.00    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  15 15:31:09   -21.358386  +3.06  -5.26c   -2.0000           6
iter:  16 15:32:06   -26.193389  +0.23  -3.34    -2.0000          40
iter:  17 15:32:52   -26.266343  +0.19  -3.49    -2.0000          33
iter:  18 15:33:48   -26.371284  -0.16  -3.02    -2.0000          38
iter:  19 15:34:16   -26.415152  -0.06  -1.87    -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  20 15:34:49   -26.416206  +0.12  -3.92    -2.0000          12
iter:  21 15:35:05   -26.473230  +0.48  -1.82    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  22 15:35:21   -26.456206  +0.87  -0.98    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter:  23 15:36:01   -26.512046  -0.05  -4.29c   -2.0000          10
iter:  24 15:38:29   -26.532802  +0.57  -1.78    -2.0000         101
iter:  25 15:41:11   -26.571610  -0.14  -2.00    -2.0000          10
iter:  26 15:41:24   -26.589304  +0.46  -4.20c   -2.0000           9
iter:  27 15:41:35   -26.630991  +0.26  -4.02c   -2.0000           8
iter:  28 15:41:47   -26.672836  +0.13  -3.49    -2.0000           8
iter:  29 15:41:57   -26.707535  +0.26  -4.61c   -2.0000           7
iter:  30 15:42:09   -26.746961  +0.09  -4.13c   -2.0000           7
iter:  31 15:42:21   -26.779779  +0.17  -4.34c   -2.0000           8
iter:  32 15:42:32   -26.809310  +0.25  -3.84    -2.0000           7
iter:  33 15:42:42   -26.842113  +0.17  -4.14c   -2.0000           7
iter:  34 15:42:55   -26.870345  +0.11  -4.33c   -2.0000           8
iter:  35 15:43:06   -26.893434  +0.13  -4.43c   -2.0000           8
iter:  36 15:43:19   -26.914832  -0.03  -4.07c   -2.0000           9
iter:  37 15:43:32   -26.928643  -0.02  -3.85    -2.0000           9
iter:  38 15:43:45   -26.939707  -0.03  -4.48c   -2.0000           9
iter:  39 15:43:58   -26.949626  -0.15  -3.99    -2.0000           9
iter:  40 15:44:11   -26.955749  -0.12  -4.09c   -2.0000           9
iter:  41 15:44:24   -26.960796  -0.14  -4.44c   -2.0000           9
iter:  42 15:44:34   -26.964844  -0.17  -3.30    -2.0000           7
iter:  43 15:44:45   -26.966934  -0.14  -4.00    -2.0000           7
iter:  44 15:44:57   -26.967462c -0.11  -4.47c   -2.0000           8
iter:  45 15:45:07   -26.966378c -0.09  -4.36c   -2.0000           6
iter:  46 15:45:19   -26.962436c -0.05  -4.05c   -2.0000           8
iter:  47 15:45:36   -26.954197  +0.04  -3.54    -2.0000          11
iter:  48 15:45:49   -26.939330  +0.10  -4.31c   -2.0000           9
iter:  49 15:46:02   -26.909429  +0.25  -4.23c   -2.0000           9
iter:  50 15:46:17   -26.845070  +0.47  -4.40c   -2.0000          10
iter:  51 15:46:31   -26.693360  +0.72  -4.56c   -2.0000          10
iter:  52 15:46:50   -26.469338  +0.87  -4.12c   -2.0000          12
iter:  53 15:47:20   -26.378715  +0.82  -2.22    -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  54 15:47:43   -26.182107  +0.38  -2.66    -2.0000           8
iter:  55 15:47:56   -26.248355  +0.28  -2.78    -2.0000           8
iter:  56 15:48:07   -26.285025  -0.01  -4.27c   -2.0000           8
iter:  57 15:48:19   -26.310939  -0.03  -3.51    -2.0000           7
iter:  58 15:48:33   -26.334327  +0.06  -3.52    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  59 15:49:13   -26.534041  -0.28  -3.47    -2.0000           8
iter:  60 15:49:25   -26.583556  -0.08  -3.49    -2.0000           8
iter:  61 15:49:38   -26.622420  -0.12  -3.45    -2.0000           8
iter:  62 15:49:51   -26.660147  -0.11  -4.48c   -2.0000           9
iter:  63 15:50:06   -26.699966  -0.09  -3.97    -2.0000           9
iter:  64 15:50:19   -26.739004  -0.22  -3.99    -2.0000           9
iter:  65 15:50:32   -26.774381  -0.23  -4.01c   -2.0000           9
iter:  66 15:50:46   -26.806326  -0.25  -4.30c   -2.0000          10
iter:  67 15:51:00   -26.833909  -0.20  -4.06c   -2.0000          10
iter:  68 15:51:12   -26.861027  -0.26  -4.03c   -2.0000           8
iter:  69 15:51:25   -26.885399  -0.32  -4.25c   -2.0000           9
iter:  70 15:51:39   -26.904457  -0.31  -3.38    -2.0000          10
iter:  71 15:51:57   -26.919704  -0.39  -3.68    -2.0000          12
iter:  72 15:52:17   -26.931634  -0.44  -3.88    -2.0000          12
iter:  73 15:52:32   -26.940809  -0.54  -3.34    -2.0000          10
iter:  74 15:52:46   -26.947041  -0.55  -3.44    -2.0000          10
iter:  75 15:53:01   -26.951769  -0.55  -3.75    -2.0000          10
iter:  76 15:53:13   -26.955413  -0.57  -4.10c   -2.0000           9
iter:  77 15:53:28   -26.957874  -0.56  -3.54    -2.0000          10
iter:  78 15:53:42   -26.959333c -0.54  -3.31    -2.0000          10
iter:  79 15:53:57   -26.959927c -0.49  -3.89    -2.0000          10
iter:  80 15:54:11   -26.960252c -0.48  -4.24c   -2.0000          10
iter:  81 15:54:24   -26.960227c -0.44  -3.94    -2.0000           9
iter:  82 15:54:34   -26.959624c -0.41  -3.31    -2.0000           7
iter:  83 15:54:46   -26.958588c -0.37  -4.02c   -2.0000           8
iter:  84 15:55:02   -26.956928c -0.30  -3.95    -2.0000          11
iter:  85 15:55:18   -26.954616c -0.24  -4.04c   -2.0000          11
iter:  86 15:55:31   -26.951114c -0.15  -3.58    -2.0000           8
iter:  87 15:55:46   -26.945587  +0.37  -3.63    -2.0000          10
iter:  88 15:56:00   -26.919655  +0.38  -3.74    -2.0000          10
iter:  89 15:56:13   -26.883964  +0.62  -3.92    -2.0000           9
iter:  90 15:56:29   -26.837643  +0.62  -4.30c   -2.0000          10
iter:  91 15:56:44   -26.729448  +0.82  -4.47c   -2.0000          10
iter:  92 15:56:57   -26.589723  +0.95  -4.00    -2.0000           9
iter:  93 15:57:08   -26.495743  +0.90  -3.78    -2.0000           8
iter:  94 15:57:21   -26.463367  +0.76  -3.89    -2.0000           9
iter:  95 15:57:34   -26.461385  +0.68  -3.46    -2.0000           9
iter:  96 15:57:46   -26.464398c +0.70  -4.35c   -2.0000           8
iter:  97 15:57:57   -26.470163  +0.72  -4.24c   -2.0000           8
iter:  98 15:58:10   -26.485335  +0.72  -4.15c   -2.0000           9
iter:  99 15:58:25   -26.519081  +0.69  -4.64c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 100 15:58:59   -26.270576  +0.69  -4.47c   -2.0000           9
iter: 101 15:59:13   -26.381894  +0.79  -1.83    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 102 15:59:33   -25.425630  +2.09  -3.83    -2.0000           9
iter: 103 16:02:01   -26.016742  +0.44  -1.82    -2.0000         101
iter: 104 16:04:43   -26.071640  +0.04  -4.15c   -2.0000          11
iter: 105 16:04:58   -26.124285  +0.45  -4.10c   -2.0000          10
iter: 106 16:05:18   -26.206271  +0.15  -3.34    -2.0000          14
iter: 107 16:05:42   -26.259716  +0.39  -4.18c   -2.0000          17
iter: 108 16:05:53   -26.312357  +0.13  -4.11c   -2.0000           7
iter: 109 16:06:06   -26.351812  +0.20  -3.61    -2.0000           9
iter: 110 16:06:28   -26.388659  +0.22  -4.27c   -2.0000          15
iter: 111 16:08:09   -26.445011  +0.44  -1.78    -2.0000          70
MOM has detected variational collapse, occupied orbitals have changed
iter: 112 16:08:28   -26.133550  +0.95  -3.74    -2.0000           7
iter: 113 16:08:39   -26.182355  +1.11  -3.94    -2.0000           8
iter: 114 16:08:54   -26.273152  +0.56  -1.81    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 115 16:09:10   -26.228985  +1.06  -0.95    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 116 16:09:43   -26.428549  -0.10  -4.74c   -2.0000          13
iter: 117 16:10:21   -26.432752  +0.48  -3.65    -2.0000          26
iter: 118 16:10:35   -26.446667  +0.37  -1.84    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 119 16:11:06   -26.282558  +0.56  -4.04c   -2.0000          11
iter: 120 16:11:26   -26.288853  +0.83  -4.35c   -2.0000          13
iter: 121 16:13:54   -26.340009  +0.24  -2.24    -2.0000         101
iter: 122 16:16:24   -26.417921  +0.51  -1.98    -2.0000         100
MOM has detected variational collapse, occupied orbitals have changed
iter: 123 16:16:50   -26.464677  +0.17  -3.99    -2.0000           9
iter: 124 16:17:07   -26.481452  +0.14  -1.83    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 125 16:17:38   -26.275794  +1.34  -0.99    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 126 16:18:20   -26.361287  +0.49  -1.84    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 127 16:18:47   -26.473058  -0.11  -3.02    -2.0000           8
iter: 128 16:21:18   -26.483551  +0.01  -1.85    -2.0000         101
iter: 129 16:24:04   -26.499252  -0.08  -2.89    -2.0000          15
iter: 130 16:24:17   -26.504730  +0.21  -3.06    -2.0000           9
iter: 131 16:26:44   -26.519740  +0.18  -1.88    -2.0000         101
iter: 132 16:26:58   -26.543021  +0.23  -3.56    -2.0000           9
iter: 133 16:27:10   -26.574174  +0.27  -3.68    -2.0000           9
iter: 134 16:27:21   -26.613983  +0.15  -4.45c   -2.0000           7
iter: 135 16:27:29   -26.650523  +0.22  -3.72    -2.0000           6
iter: 136 16:27:40   -26.689387  +0.14  -4.44c   -2.0000           7
iter: 137 16:27:48   -26.723220  +0.16  -4.41c   -2.0000           6
iter: 138 16:27:58   -26.756842  +0.12  -3.61    -2.0000           6
iter: 139 16:28:11   -26.786561  +0.12  -3.93    -2.0000           9
iter: 140 16:30:37   -26.798481  +0.25  -1.82    -2.0000         101
iter: 141 16:30:50   -26.743958  +0.78  -4.32c   -2.0000           9
iter: 142 16:31:00   -26.731588  +0.66  -4.46c   -2.0000           7
iter: 143 16:31:11   -26.693765  +0.60  -3.56    -2.0000           7
iter: 144 16:31:22   -26.589345  +0.76  -3.56    -2.0000           8
iter: 145 16:31:35   -26.499112  +0.73  -5.00c   -2.0000           9
iter: 146 16:31:48   -26.435145  +0.67  -4.00c   -2.0000           9
iter: 147 16:32:03   -26.421320  +0.53  -3.10    -2.0000          10
iter: 148 16:32:14   -26.434371  +0.43  -3.92    -2.0000           8
iter: 149 16:32:26   -26.455355  +0.37  -3.10    -2.0000           7
iter: 150 16:32:36   -26.490523  +0.28  -4.29c   -2.0000           7
iter: 151 16:32:47   -26.518045  +0.21  -4.30c   -2.0000           8
iter: 152 16:32:58   -26.539860  +0.17  -4.38c   -2.0000           7
iter: 153 16:33:12   -26.554961  +0.18  -3.84    -2.0000           9
iter: 154 16:33:23   -26.566902  +0.18  -3.98    -2.0000           7
iter: 155 16:33:34   -26.577967  +0.18  -3.57    -2.0000           7
iter: 156 16:33:44   -26.584908  +0.29  -3.53    -2.0000           7
iter: 157 16:33:54   -26.585621  +0.36  -4.10c   -2.0000           7
iter: 158 16:34:07   -26.577508  +0.42  -4.23c   -2.0000           8
iter: 159 16:34:19   -26.572693  +0.47  -4.03c   -2.0000           8
iter: 160 16:34:33   -26.568270  +0.50  -3.52    -2.0000          10
iter: 161 16:34:45   -26.539568  +0.64  -3.59    -2.0000           8
iter: 162 16:35:03   -26.463646  +0.80  -3.88    -2.0000          12
iter: 163 16:35:35   -26.382394  +1.02  -4.38c   -2.0000          22
iter: 164 16:38:03   -26.536888  +1.13  -1.86    -2.0000         101
iter: 165 16:38:20   -26.757738  +1.02  -4.97c   -2.0000          12
iter: 166 16:38:35   -26.938410  +0.89  -3.21    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 167 16:39:01   -26.824845  +0.81  -4.12c   -2.0000          12
iter: 168 16:39:14   -26.881808  -0.02  -4.47c   -2.0000           9
iter: 169 16:39:25   -26.892562  +0.27  -3.79    -2.0000           8
iter: 170 16:39:40   -26.906519  +0.18  -4.14c   -2.0000          10
iter: 171 16:39:54   -26.920260  +0.10  -4.24c   -2.0000          10
iter: 172 16:40:14   -26.928587  +0.16  -3.73    -2.0000          12
iter: 173 16:40:33   -26.937538  +0.22  -2.92    -2.0000          12
iter: 174 16:40:49   -26.950359  -0.00  -4.30c   -2.0000          11
iter: 175 16:41:06   -26.960967  -0.23  -4.46c   -2.0000          12
iter: 176 16:41:23   -26.966647  -0.23  -4.23c   -2.0000          12
iter: 177 16:41:41   -26.971811  -0.32  -3.52    -2.0000          12
iter: 178 16:41:59   -26.975982  -0.31  -3.86    -2.0000          13
iter: 179 16:42:19   -26.978674  -0.21  -4.02c   -2.0000          13
iter: 180 16:42:36   -26.980587c -0.03  -4.00    -2.0000          12
iter: 181 16:42:52   -26.984211c -0.16  -3.79    -2.0000          11
iter: 182 16:43:10   -26.987394  -0.24  -3.80    -2.0000          11
iter: 183 16:43:26   -26.990255  -0.31  -3.87    -2.0000          11
iter: 184 16:43:43   -26.992140c -0.38  -3.59    -2.0000          11
iter: 185 16:43:58   -26.993448c -0.39  -3.60    -2.0000          11
iter: 186 16:44:10   -26.994454c -0.40  -4.41c   -2.0000           8
iter: 187 16:44:26   -26.995614c -0.44  -3.66    -2.0000          11
iter: 188 16:44:43   -26.996396c -0.44  -3.71    -2.0000          11
iter: 189 16:44:52   -26.996821c -0.37  -3.30    -2.0000           6
iter: 190 16:45:05   -26.996377c -0.33  -4.20c   -2.0000           8
iter: 191 16:45:22   -26.996603c -0.33  -4.08c   -2.0000          12
iter: 192 16:45:39   -26.995925c -0.20  -2.72    -2.0000          12
iter: 193 16:45:55   -26.995034c -0.20  -4.18c   -2.0000          11
iter: 194 16:46:12   -26.995269c -0.25  -3.78    -2.0000          11
iter: 195 16:46:28   -26.995309c -0.28  -3.44    -2.0000          10
iter: 196 16:46:40   -26.994778c -0.27  -3.23    -2.0000           8
iter: 197 16:47:00   -26.993656c -0.26  -2.95    -2.0000          14
iter: 198 16:47:24   -26.992093c -0.12  -3.96    -2.0000          15
iter: 199 16:47:42   -26.979296  +0.13  -3.32    -2.0000          12
iter: 200 16:47:57   -26.963389  +0.28  -4.10c   -2.0000          11
iter: 201 16:48:14   -26.949794  +0.31  -3.80    -2.0000          11
iter: 202 16:48:31   -26.915136  +0.46  -4.14c   -2.0000          11
iter: 203 16:48:46   -26.824822  +0.76  -3.61    -2.0000          10
iter: 204 16:49:00   -26.618562  +1.05  -4.69c   -2.0000          10
iter: 205 16:49:12   -26.400784  +1.21  -3.89    -2.0000           8
iter: 206 16:49:24   -26.235810  +1.26  -4.27c   -2.0000           8
iter: 207 16:49:34   -26.143962  +1.24  -4.64c   -2.0000           7
iter: 208 16:49:51   -26.103832  +1.28  -3.32    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 209 16:50:14   -25.741610  +1.33  -3.94    -2.0000           9
iter: 210 16:50:28   -25.980420  +1.33  -3.91    -2.0000           9
iter: 211 16:50:48   -26.132373  +1.17  -3.81    -2.0000          13
iter: 212 16:51:03   -26.244238  +1.28  -2.49    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 213 16:51:27   -27.207389  +1.23  -1.82    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 214 16:51:47   -26.355667  +0.58  -3.91    -2.0000           6
iter: 215 16:51:56   -26.390853  +0.77  -4.34c   -2.0000           6
iter: 216 16:52:04   -26.448234  +0.56  -3.92    -2.0000           6
iter: 217 16:52:15   -26.498060  +0.61  -4.51c   -2.0000           7
iter: 218 16:52:25   -26.549556  +0.55  -4.62c   -2.0000           7
iter: 219 16:52:35   -26.594319  +0.36  -4.34c   -2.0000           7
iter: 220 16:52:46   -26.619141  +0.47  -4.38c   -2.0000           7
iter: 221 16:52:59   -26.643636  +0.42  -4.23c   -2.0000           8
iter: 222 16:53:10   -26.668650  +0.34  -3.88    -2.0000           6
iter: 223 16:53:21   -26.687590  +0.38  -4.58c   -2.0000           7
iter: 224 16:53:33   -26.703982  +0.43  -3.88    -2.0000           8
iter: 225 16:53:43   -26.720489  +0.42  -4.49c   -2.0000           7
iter: 226 16:53:53   -26.732427  +0.49  -4.46c   -2.0000           7
iter: 227 16:54:03   -26.737532  +0.54  -4.24c   -2.0000           7
iter: 228 16:54:15   -26.730887  +0.63  -4.70c   -2.0000           8
iter: 229 16:54:29   -26.705590  +0.76  -4.49c   -2.0000          10
iter: 230 16:54:42   -26.673242  +0.79  -4.03c   -2.0000           9
iter: 231 16:54:53   -26.648780  +0.78  -4.23c   -2.0000           7
iter: 232 16:55:07   -26.636635  +0.75  -3.95    -2.0000           9
iter: 233 16:55:17   -26.634594  +0.70  -4.03c   -2.0000           7
iter: 234 16:55:29   -26.633581c +0.69  -4.73c   -2.0000           8
iter: 235 16:55:39   -26.628936c +0.66  -4.41c   -2.0000           7
iter: 236 16:55:49   -26.621058  +0.66  -4.19c   -2.0000           7
iter: 237 16:56:02   -26.606658  +0.69  -4.41c   -2.0000           8
iter: 238 16:56:14   -26.575958  +0.76  -4.22c   -2.0000           8
iter: 239 16:56:22   -26.544018  +0.85  -3.86    -2.0000           6
iter: 240 16:56:31   -26.524855  +0.86  -4.33c   -2.0000           6
iter: 241 16:56:40   -26.515735  +0.90  -4.26c   -2.0000           6
iter: 242 16:56:50   -26.509295  +0.95  -4.24c   -2.0000           6
iter: 243 16:57:02   -26.493851  +0.98  -3.58    -2.0000           8
iter: 244 16:57:16   -26.474816  +1.01  -2.99    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 245 16:57:45   -26.973452  +1.13  -1.90    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 246 16:58:07   -26.682682  +0.19  -3.52    -2.0000           7
iter: 247 16:58:15   -26.685803  +0.57  -3.62    -2.0000           6
iter: 248 16:58:24   -26.699195  +0.56  -3.38    -2.0000           6
iter: 249 16:58:36   -26.729842  +0.57  -4.53c   -2.0000           8
iter: 250 16:58:47   -26.764949  +0.58  -3.93    -2.0000           8
iter: 251 16:58:59   -26.802112  +0.48  -2.08    -2.0000           8
iter: 252 16:59:14   -26.839647  +0.36  -4.50c   -2.0000           9
iter: 253 16:59:24   -26.871275  +0.26  -3.35    -2.0000           7
iter: 254 16:59:38   -26.896602  +0.19  -4.22c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 255 16:59:54   -26.810336  +1.25  -0.95    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 256 17:02:41   -26.928438  +0.53  -1.85    -2.0000         101
iter: 257 17:05:07   -27.121533  +0.71  -1.95    -2.0000         101
iter: 258 17:06:42   -26.922178  -0.66  -4.37c   -2.0000          18
iter: 259 17:07:08   -26.922115  -0.34  -4.76c   -2.0000          17
iter: 260 17:07:37   -26.936955  -0.48  -4.48c   -2.0000          20
iter: 261 17:08:11   -26.943907  -0.31  -5.04c   -2.0000          24
iter: 262 17:08:40   -26.951393  -0.29  -4.17c   -2.0000          19
iter: 263 17:11:07   -27.090013  +0.37  -1.90    -2.0000         100
MOM has detected variational collapse, occupied orbitals have changed
iter: 264 17:11:32   -26.974949  -0.71  -5.00c   -2.0000           6
iter: 265 17:11:41   -26.975897  -0.31  -4.18c   -2.0000           6
iter: 266 17:11:48   -26.979664c -0.35  -3.61    -2.0000           5
iter: 267 17:11:57   -26.985164  -0.48  -3.82    -2.0000           5
iter: 268 17:12:03   -26.989494  -0.50  -2.39    -2.0000           4
iter: 269 17:12:09   -26.993315  -0.37  -4.30c   -2.0000           4
iter: 270 17:12:16   -26.998661  -0.40  -3.23    -2.0000           5
iter: 271 17:12:25   -27.003742  -0.50  -3.91    -2.0000           6
iter: 272 17:12:34   -27.007012  -0.47  -3.96    -2.0000           6
iter: 273 17:12:45   -27.010582  -0.61  -2.60    -2.0000           8
iter: 274 17:12:55   -27.013265  -0.55  -3.07    -2.0000           7
iter: 275 17:13:07   -27.014983c -0.56  -3.77    -2.0000           8
iter: 276 17:13:20   -27.013992c -0.13  -3.45    -2.0000           9
iter: 277 17:13:33   -27.015357c -0.28  -3.18    -2.0000           9
iter: 278 17:13:50   -27.015481c -0.14  -3.21    -2.0000          11
iter: 279 17:14:05   -27.012100c -0.06  -2.73    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 280 17:16:44   -27.057293  -0.55  -1.85    -2.0000         101
iter: 281 17:19:10   -27.083415  -0.33  -1.79    -2.0000         101
iter: 282 17:24:06   -27.093550  -0.66  -1.79    -2.0000         101
iter: 283 17:25:32   -27.127713  +0.37  -1.78    -2.0000          60
MOM has detected variational collapse, occupied orbitals have changed
iter: 284 17:25:48   -27.120883  +0.31  -1.05    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 285 17:26:04   -27.006267  +0.61  -0.97    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 286 17:26:21   -27.066126  +0.91  -1.03    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 287 17:26:37   -26.868378  +1.46  -1.01    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 288 17:26:59   -27.119270  -0.66  -4.03c   -2.0000           6
iter: 289 17:27:08   -27.136954  -0.82  -3.69    -2.0000           6
iter: 290 17:27:18   -27.156759  -1.06  -4.33c   -2.0000           7
iter: 291 17:27:28   -27.172055  -0.82  -4.30c   -2.0000           7
iter: 292 17:27:37   -27.180700  -0.70  -3.50    -2.0000           6
iter: 293 17:27:45   -27.191151  -0.72  -4.21c   -2.0000           5
iter: 294 17:27:53   -27.201312  -0.78  -4.38c   -2.0000           6
iter: 295 17:28:05   -27.206234  -0.66  -3.63    -2.0000           8
iter: 296 17:28:16   -27.197346  -0.50  -3.92    -2.0000           8
iter: 297 17:28:31   -27.167909  -0.03  -3.27    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 298 17:28:52   -26.701500  +1.11  -4.50c   -2.0000           9
iter: 299 17:29:07   -26.844411  +0.76  -4.66c   -2.0000          10
iter: 300 17:29:22   -26.925715  +0.44  -4.66c   -2.0000          11
iter: 301 17:29:38   -26.955537  +0.37  -4.25c   -2.0000          10
iter: 302 17:29:57   -26.980528  -0.21  -4.18c   -2.0000          13
iter: 303 17:30:08   -26.975528  +0.04  -4.17c   -2.0000           7
iter: 304 17:30:24   -26.993532  -0.35  -4.17c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 305 17:30:46   -21.493526  +2.90  -4.08c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 306 17:31:09   -27.016279  -0.44  -4.62c   -2.0000           6
iter: 307 17:31:19   -27.026622  -0.30  -3.28    -2.0000           7
iter: 308 17:31:32   -27.033933  -0.56  -2.99    -2.0000           9
iter: 309 17:31:50   -27.037009  -0.34  -4.19c   -2.0000          13
iter: 310 17:34:15   -27.036495c -0.14  -1.78    -2.0000         101
iter: 311 17:36:43   -26.967040  +0.67  -0.99    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 312 17:37:05   -24.724177  +2.23  -4.84c   -2.0000          10
iter: 313 17:37:19   -25.765207  +1.46  -4.14c   -2.0000           9
iter: 314 17:37:35   -26.062814  +1.44  -4.77c   -2.0000          11
iter: 315 17:37:51   -26.329874  +1.01  -4.58c   -2.0000          11
iter: 316 17:38:07   -26.460169  +0.66  -4.13c   -2.0000          11
iter: 317 17:38:22   -26.516626  +0.61  -4.50c   -2.0000          11
iter: 318 17:38:41   -26.583529  +0.19  -4.52c   -2.0000          13
iter: 319 17:39:04   -26.608525  +0.34  -3.54    -2.0000          15
iter: 320 17:39:28   -26.647676  +0.01  -5.01c   -2.0000          17
iter: 321 17:39:53   -26.667613  +0.07  -3.38    -2.0000          17
iter: 322 17:40:21   -26.688572  -0.06  -4.51c   -2.0000          18
iter: 323 17:40:38   -26.702414  -0.05  -4.06c   -2.0000          12
iter: 324 17:41:02   -26.712269  -0.05  -3.85    -2.0000          17
iter: 325 17:41:27   -26.719470  -0.05  -3.95    -2.0000          17
iter: 326 17:41:44   -26.724534  +0.02  -3.75    -2.0000          12
iter: 327 17:42:10   -26.729237  +0.06  -4.07c   -2.0000          18
iter: 328 17:42:27   -26.728656c +0.30  -3.02    -2.0000          12
iter: 329 17:42:51   -26.712491  +0.29  -3.61    -2.0000          17
iter: 330 17:43:17   -26.694747  +0.41  -3.81    -2.0000          18
iter: 331 17:43:43   -26.679486  +0.47  -4.35c   -2.0000          18
iter: 332 17:44:05   -26.648276  +0.58  -4.82c   -2.0000          15
iter: 333 17:44:26   -26.566556  +0.76  -4.75c   -2.0000          13
iter: 334 17:44:46   -26.435381  +0.94  -5.27c   -2.0000          14
iter: 335 17:45:06   -26.315793  +1.01  -4.77c   -2.0000          13
iter: 336 17:45:25   -26.230256  +1.04  -4.58c   -2.0000          12
iter: 337 17:45:42   -26.174976  +1.04  -4.47c   -2.0000          12
iter: 338 17:45:59   -26.143153  +1.06  -4.29c   -2.0000          12
iter: 339 17:46:18   -26.145537  +1.11  -4.84c   -2.0000          13
iter: 340 17:46:40   -26.200059  +1.10  -4.72c   -2.0000          15
iter: 341 17:47:04   -26.261117  +1.09  -4.33c   -2.0000          17
iter: 342 17:47:28   -26.310067  +1.07  -4.70c   -2.0000          16
iter: 343 17:47:55   -26.344374  +1.05  -4.78c   -2.0000          19
iter: 344 17:48:26   -26.343403  +1.23  -4.70c   -2.0000          21
iter: 345 17:48:41   -26.169605  +1.47  -1.97    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 346 17:49:02   -26.860856  +0.54  -4.38c   -2.0000           8
iter: 347 17:49:18   -26.923398  +0.62  -3.89    -2.0000          11
iter: 348 17:51:44   -26.964254  +0.49  -1.87    -2.0000         101
iter: 349 17:54:11   -27.025441  +0.22  -1.85    -2.0000         101
iter: 350 17:54:25   -27.091118  +0.42  -2.32    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 351 17:54:47   -26.956044  +0.18  -3.99    -2.0000           8
iter: 352 17:55:00   -26.997219  +0.10  -4.30c   -2.0000           8
iter: 353 17:55:09   -27.016770  -0.47  -4.58c   -2.0000           6
iter: 354 17:55:19   -27.024330  -0.54  -3.52    -2.0000           7
iter: 355 17:55:29   -27.028943  -0.70  -4.26c   -2.0000           7
iter: 356 17:55:41   -27.031972  -0.66  -3.98    -2.0000           8
iter: 357 17:55:52   -27.034596c -0.53  -3.09    -2.0000           8
iter: 358 17:56:02   -27.037580c -0.49  -3.98    -2.0000           7
iter: 359 17:56:12   -27.040893  -0.43  -4.04c   -2.0000           7
iter: 360 17:56:55   -27.043794  -0.32  -4.06c   -2.0000          29
iter: 361 17:57:16   -27.041703c -0.05  -3.68    -2.0000          14
iter: 362 17:57:32   -27.036699  +0.02  -3.44    -2.0000          10
iter: 363 17:57:47   -27.030362  -0.04  -3.80    -2.0000          10
iter: 364 17:58:01   -27.015425  +0.12  -4.45c   -2.0000          10
iter: 365 17:58:15   -26.988065  +0.26  -2.64    -2.0000           9
iter: 366 17:58:26   -26.945188  +0.38  -3.67    -2.0000           8
iter: 367 17:58:37   -26.877162  +0.51  -3.92    -2.0000           7
iter: 368 17:58:47   -26.776541  +0.65  -2.82    -2.0000           7
iter: 369 17:58:57   -26.651706  +0.76  -4.41c   -2.0000           7
iter: 370 17:59:07   -26.563092  +0.77  -4.35c   -2.0000           7
iter: 371 17:59:19   -26.516215  +0.72  -4.68c   -2.0000           8
iter: 372 17:59:30   -26.492531  +0.69  -4.28c   -2.0000           8
iter: 373 17:59:43   -26.480580  +0.74  -5.18c   -2.0000           9
iter: 374 17:59:56   -26.487662  +0.74  -4.28c   -2.0000           8
iter: 375 18:00:06   -26.514247  +0.78  -2.71    -2.0000           7
iter: 376 18:00:16   -26.557224  +0.83  -2.87    -2.0000           7
iter: 377 18:00:29   -26.618290  +0.83  -4.44c   -2.0000           8
iter: 378 18:00:41   -26.696822  +0.78  -3.53    -2.0000           8
iter: 379 18:00:54   -26.781225  +0.75  -4.77c   -2.0000           9
iter: 380 18:01:08   -26.856448  +0.74  -5.03c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 381 18:01:37   -26.332380  +1.52  -5.48c   -2.0000          15
iter: 382 18:02:00   -26.720879  +0.97  -4.57c   -2.0000          16
iter: 383 18:04:27   -26.896110  +0.63  -1.99    -2.0000         101
iter: 384 18:04:43   -27.025302  +0.49  -1.78    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 385 18:05:03   -26.884574  +0.40  -4.03c   -2.0000           7
iter: 386 18:05:12   -26.918314  +0.46  -4.35c   -2.0000           6
iter: 387 18:05:23   -26.941206  +0.39  -4.00c   -2.0000           7
iter: 388 18:05:37   -26.955399  +0.43  -3.83    -2.0000          10
iter: 389 18:05:49   -26.966058  +0.17  -3.63    -2.0000           7
iter: 390 18:05:59   -26.978104  -0.49  -3.74    -2.0000           7
iter: 391 18:06:09   -26.983080  -0.23  -4.11c   -2.0000           7
iter: 392 18:06:17   -26.986863  -0.19  -3.50    -2.0000           5
iter: 393 18:06:28   -26.992026  -0.42  -4.85c   -2.0000           8
iter: 394 18:06:37   -26.993758  -0.32  -3.54    -2.0000           6
iter: 395 18:06:48   -26.995438c -0.26  -4.74c   -2.0000           8
iter: 396 18:06:59   -26.998402c -0.32  -3.63    -2.0000           7
iter: 397 18:07:10   -27.000148c -0.20  -4.30c   -2.0000           8
iter: 398 18:07:20   -27.002173c -0.20  -4.36c   -2.0000           7
iter: 399 18:07:30   -27.005768c -0.26  -4.32c   -2.0000           7
iter: 400 18:07:38   -27.009126  -0.28  -4.56c   -2.0000           5
iter: 401 18:07:46   -27.011783  -0.24  -3.41    -2.0000           6
iter: 402 18:07:58   -27.014794c -0.27  -3.91    -2.0000           7
iter: 403 18:08:11   -27.017830  -0.19  -4.15c   -2.0000           8
iter: 404 18:08:20   -27.020001c -0.17  -3.55    -2.0000           6
iter: 405 18:08:28   -27.023545c -0.21  -3.72    -2.0000           6
iter: 406 18:08:34   -27.027454  -0.15  -4.10c   -2.0000           4
iter: 407 18:08:40   -27.028963c -0.13  -3.92    -2.0000           4
iter: 408 18:08:46   -27.031324c -0.15  -3.93    -2.0000           4
iter: 409 18:08:59   -27.034354c -0.16  -4.36c   -2.0000           9
iter: 410 18:09:15   -27.034998c -0.07  -4.23c   -2.0000          11
iter: 411 18:09:34   -27.022444  +0.38  -3.43    -2.0000          11
iter: 412 18:09:47   -26.994128  +0.62  -4.16c   -2.0000           9
iter: 413 18:10:00   -26.942848  +0.73  -4.09c   -2.0000           8
iter: 414 18:10:12   -26.825390  +0.94  -3.54    -2.0000           8
iter: 415 18:10:23   -26.670247  +1.11  -4.16c   -2.0000           6
iter: 416 18:10:32   -26.517789  +1.20  -3.80    -2.0000           6
iter: 417 18:10:39   -26.397141  +1.23  -3.81    -2.0000           5
iter: 418 18:10:47   -26.324147  +1.22  -3.87    -2.0000           5
iter: 419 18:10:54   -26.304412  +1.18  -4.35c   -2.0000           5
iter: 420 18:11:03   -26.334566  +1.14  -4.23c   -2.0000           6
iter: 421 18:11:13   -26.405098  +1.12  -4.62c   -2.0000           7
iter: 422 18:11:24   -26.501393  +1.12  -4.22c   -2.0000           8
iter: 423 18:11:37   -26.605484  +1.10  -4.26c   -2.0000           9
iter: 424 18:11:50   -26.698226  +1.12  -3.57    -2.0000           7
iter: 425 18:12:01   -26.772531  +1.14  -3.50    -2.0000           8
iter: 426 18:12:17   -26.842304  +1.12  -2.57    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 427 18:12:38   -13.389208  +3.19  -4.88c   -2.0000          10
iter: 428 18:13:01   -23.439537  +1.92  -4.60c   -2.0000          16
iter: 429 18:13:29   -24.196838  +1.94  -3.52    -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 430 18:13:53   -26.066302  +1.39  -4.02c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 431 18:14:10   -24.607232  +1.46  -4.70c   -2.0000           7
iter: 432 18:14:20   -24.734748  +1.77  -4.48c   -2.0000           7
iter: 433 18:14:32   -25.260910  +1.24  -4.75c   -2.0000           8
iter: 434 18:14:43   -25.597730  +1.50  -4.54c   -2.0000           8
iter: 435 18:15:00   -25.896912  +1.51  -4.02c   -2.0000          11
iter: 436 18:15:14   -26.002652  +1.55  -3.22    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 437 18:15:38   -26.449886  +0.31  -4.63c   -2.0000           9
iter: 438 18:15:49   -26.505844  +0.64  -4.28c   -2.0000           7
iter: 439 18:16:03   -26.570643  +0.18  -4.32c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 440 18:16:22   -26.174639  +1.28  -4.91c   -2.0000           8
iter: 441 18:16:36   -26.248444  +1.25  -4.56c   -2.0000           9
iter: 442 18:16:48   -26.361155  +0.82  -4.43c   -2.0000           8
iter: 443 18:17:01   -26.398686  +1.09  -4.09c   -2.0000           9
iter: 444 18:17:15   -26.496636  +0.57  -2.67    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 445 18:17:44   -26.606150  +0.41  -3.50    -2.0000           9
iter: 446 18:17:56   -26.634338  +0.30  -4.32c   -2.0000           8
iter: 447 18:18:06   -26.666575  +0.13  -3.98    -2.0000           7
iter: 448 18:18:27   -26.697323  +0.46  -3.75    -2.0000          15
iter: 449 18:20:54   -26.715857  +0.63  -1.86    -2.0000         101
iter: 450 18:21:37   -26.641366  +1.10  -4.31c   -2.0000          11
iter: 451 18:21:51   -26.677075  +0.92  -4.55c   -2.0000          10
iter: 452 18:22:11   -26.739455  +0.52  -4.49c   -2.0000          13
iter: 453 18:22:31   -26.714529  +1.01  -4.94c   -2.0000          14
iter: 454 18:22:57   -26.725668  +0.85  -4.80c   -2.0000          18
iter: 455 18:25:24   -26.758704  +0.79  -2.82    -2.0000         101
iter: 456 18:27:47   -26.782706  +0.67  -1.82    -2.0000         101
iter: 457 18:28:12   -26.749999  +1.02  -3.04    -2.0000          17
iter: 458 18:28:36   -26.716834  +1.15  -4.39c   -2.0000          17
iter: 459 18:28:55   -26.742221  +1.07  -4.42c   -2.0000          13
iter: 460 18:30:36   -26.726087  +1.18  -1.81    -2.0000          70
MOM has detected variational collapse, occupied orbitals have changed
iter: 461 18:30:52   -26.740409  +1.60  -0.97    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 462 18:31:26   -26.766964  +0.86  -4.51c   -2.0000          14
iter: 463 18:31:59   -26.836001  +0.65  -4.02c   -2.0000          21
iter: 464 18:32:14   -26.860253  +0.52  -1.82    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 465 18:32:43   -26.881746  -0.25  -4.53c   -2.0000           8
iter: 466 18:32:55   -26.882114  +0.01  -3.37    -2.0000           8
iter: 467 18:33:10   -26.882462c +0.14  -3.80    -2.0000          11
iter: 468 18:33:28   -26.890349  +0.30  -3.61    -2.0000          12
iter: 469 18:35:54   -26.889353  +0.32  -1.81    -2.0000         101
iter: 470 18:40:44   -26.910441  -0.00  -1.81    -2.0000         101
iter: 471 18:43:13   -26.908730  +0.03  -1.85    -2.0000         101
iter: 472 18:47:23   -26.936051  +0.60  -1.83    -2.0000          70
MOM has detected variational collapse, occupied orbitals have changed
iter: 473 18:47:41   -26.924859  +1.26  -1.01    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 474 18:50:19   -27.000505  +0.30  -4.11c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 475 18:50:35   -26.925579  +1.16  -0.97    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 18:50:59   -27.019253  +0.06  -3.87    -2.0000           8
iter: 477 18:51:13   -27.052896  +0.21  -1.83    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 478 18:51:29   -26.794250  +1.41  -1.05    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 18:51:45   -26.855012  +0.08  -0.96    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 480 18:54:21   -26.873347  +0.24  -1.86    -2.0000         101
iter: 481 18:54:46   -26.866216  -1.43  -3.22    -2.0000          16
iter: 482 18:54:58   -26.859295  -0.44  -4.36c   -2.0000           8
iter: 483 18:55:09   -26.850757  +0.07  -4.08c   -2.0000           7
iter: 484 18:55:24   -26.908030  -0.04  -2.32    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 485 18:58:04   -26.874995  +0.27  -1.91    -2.0000         101
iter: 486 18:58:17   -26.883063  +0.28  -4.58c   -2.0000           9
iter: 487 18:58:30   -26.901381  -0.22  -3.66    -2.0000           9
iter: 488 18:58:47   -26.902665  -0.20  -2.64    -2.0000          12
iter: 489 18:59:01   -26.900047c -0.05  -2.72    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 490 19:01:46   -26.919527  -0.32  -1.88    -2.0000         101
iter: 491 19:03:57   -26.902008  +0.10  -1.79    -2.0000          90
MOM has detected variational collapse, occupied orbitals have changed
iter: 492 19:08:53   -26.926911  -0.35  -1.84    -2.0000         101
iter: 493 19:11:22   -26.929295  -0.09  -1.78    -2.0000         101
iter: 494 19:16:17   -26.936016  -0.21  -1.79    -2.0000         101
iter: 495 19:16:59   -26.888251  +0.08  -3.65    -2.0000          29
iter: 496 19:17:14   -26.895021  -0.05  -1.79    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 497 19:17:52   -26.903182  -0.24  -3.81    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 498 19:20:28   -26.906908  -0.32  -1.96    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 499 19:25:17   -26.937241  -0.31  -1.85    -2.0000         101
iter: 500 19:27:41   -26.929289  -0.06  -2.11    -2.0000         101
iter: 501 19:30:39   -26.988760  -0.30  -2.20    -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 502 19:31:10   -26.912648  -0.64  -4.65c   -2.0000          10
iter: 503 19:31:34   -26.914790  -0.21  -3.40    -2.0000          17
iter: 504 19:31:47   -26.916937c -0.25  -4.12c   -2.0000           9
iter: 505 19:32:02   -26.914978c +0.05  -3.26    -2.0000          10
iter: 506 19:32:17   -26.901162  +0.33  -3.84    -2.0000          10
iter: 507 19:32:28   -26.883593  +0.61  -3.99    -2.0000           8
iter: 508 19:32:43   -26.863455  +0.60  -4.03c   -2.0000          10
iter: 509 19:33:06   -26.846440  +0.80  -3.76    -2.0000          16
iter: 510 19:33:20   -26.819579  +0.86  -3.87    -2.0000           9
iter: 511 19:33:30   -26.800692  +0.88  -3.63    -2.0000           7
iter: 512 19:33:43   -26.786483  +0.88  -4.73c   -2.0000           9
iter: 513 19:33:56   -26.771278  +0.92  -4.02c   -2.0000           9
iter: 514 19:34:09   -26.756884  +0.94  -3.50    -2.0000           9
iter: 515 19:34:51   -26.797479  +1.22  -2.89    -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 516 19:35:31   -26.785832  +0.70  -3.70    -2.0000          16
iter: 517 19:35:45   -26.851526  +0.33  -4.73c   -2.0000          10
iter: 518 19:35:55   -26.877914  +0.21  -4.30c   -2.0000           7
iter: 519 19:36:08   -26.900860  +0.31  -4.57c   -2.0000           9
iter: 520 19:36:29   -26.919951  +0.57  -3.78    -2.0000          14
iter: 521 19:36:48   -26.914711  +0.62  -4.00c   -2.0000          13
iter: 522 19:37:04   -26.946417  +0.16  -4.04c   -2.0000          11
iter: 523 19:37:18   -26.966958  -0.05  -4.50c   -2.0000           9
iter: 524 19:37:32   -26.973392  +0.05  -3.03    -2.0000          10
iter: 525 19:37:48   -26.983712  -0.24  -4.34c   -2.0000          11
iter: 526 19:38:03   -26.990849  -0.34  -3.71    -2.0000          11
iter: 527 19:38:17   -26.995124  -0.34  -3.46    -2.0000          10
iter: 528 19:38:30   -26.999276  -0.40  -4.38c   -2.0000           9
iter: 529 19:38:48   -27.003217  -0.45  -3.89    -2.0000          13
iter: 530 19:39:04   -27.004249c -0.15  -3.83    -2.0000          12
iter: 531 19:39:25   -27.001100c +0.06  -4.02c   -2.0000          15
iter: 532 19:39:42   -27.002450c -0.08  -4.05c   -2.0000          11
iter: 533 19:40:00   -27.003484c -0.05  -4.46c   -2.0000          12
iter: 534 19:40:18   -26.989081  +0.25  -4.18c   -2.0000          13
iter: 535 19:40:32   -26.971146  +0.35  -3.79    -2.0000          10
iter: 536 19:40:42   -26.944714  +0.41  -3.96    -2.0000           7
iter: 537 19:40:53   -26.877149  +0.61  -4.28c   -2.0000           8
iter: 538 19:41:06   -26.727454  +0.81  -4.68c   -2.0000           8
iter: 539 19:41:16   -26.610712  +0.86  -4.23c   -2.0000           7
iter: 540 19:41:26   -26.567051  +0.83  -4.28c   -2.0000           7
iter: 541 19:41:36   -26.582575  +0.73  -4.16c   -2.0000           7
iter: 542 19:41:47   -26.625741  +0.59  -4.45c   -2.0000           7
iter: 543 19:41:57   -26.670926  +0.50  -4.47c   -2.0000           7
iter: 544 19:42:08   -26.703475  +0.52  -4.74c   -2.0000           8
iter: 545 19:42:19   -26.719247  +0.57  -4.53c   -2.0000           8
iter: 546 19:42:32   -26.724674  +0.58  -3.56    -2.0000           8
iter: 547 19:42:43   -26.728087  +0.55  -4.47c   -2.0000           8
iter: 548 19:42:54   -26.720609  +0.57  -4.43c   -2.0000           8
iter: 549 19:43:05   -26.686461  +0.64  -4.62c   -2.0000           8
iter: 550 19:43:18   -26.638346  +0.73  -2.78    -2.0000           9
iter: 551 19:43:36   -26.663948  +0.93  -4.70c   -2.0000          13
iter: 552 19:44:01   -26.897602  +1.04  -4.27c   -2.0000          17
iter: 553 19:44:19   -26.888479  +1.30  -3.98    -2.0000          13
iter: 554 19:44:39   -26.732546  +1.15  -5.30c   -2.0000          14
iter: 555 19:44:54   -26.478229  +1.34  -5.09c   -2.0000          10
iter: 556 19:45:09   -26.269726  +1.43  -4.91c   -2.0000           9
iter: 557 19:45:21   -26.121131  +1.46  -4.98c   -2.0000           9
iter: 558 19:45:33   -26.025518  +1.46  -4.87c   -2.0000           8
iter: 559 19:45:48   -25.973441  +1.43  -5.02c   -2.0000           9
iter: 560 19:46:03   -25.953552  +1.39  -6.04c   -2.0000          11
iter: 561 19:46:18   -25.948458  +1.38  -5.55c   -2.0000          11
iter: 562 19:46:36   -25.944106  +1.46  -5.07c   -2.0000          11
iter: 563 19:46:50   -25.975060  +1.86  -1.81    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 564 19:47:12   -25.433306  +1.43  -4.41c   -2.0000           9
iter: 565 19:47:38   -26.015823  +1.02  -4.76c   -2.0000          17
iter: 566 19:47:52   -26.298422  +1.94  -2.23    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 567 19:48:20   -25.994494  +1.89  -4.59c   -2.0000          12
iter: 568 19:48:34   -27.478924  +0.61  -1.87    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 569 19:51:02   -26.485531  +0.53  -1.89    -2.0000         101
iter: 570 19:51:16   -26.588652  +0.55  -2.86    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 571 19:51:35   -26.458129  +0.33  -3.47    -2.0000           6
iter: 572 19:51:45   -26.493096  +1.04  -4.69c   -2.0000           7
iter: 573 19:51:59   -26.613007  +0.66  -1.80    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 574 19:52:18   -26.565833  -0.05  -4.53c   -2.0000           8
iter: 575 19:54:45   -26.603029  +0.17  -1.82    -2.0000         101
iter: 576 19:57:28   -26.630008  -0.06  -1.86    -2.0000         101
iter: 577 19:57:42   -26.661658  +0.16  -1.83    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 578 19:58:11   -26.650712  -0.36  -4.28c   -2.0000           9
iter: 579 19:58:25   -26.657996  -0.05  -3.83    -2.0000          10
iter: 580 20:00:49   -26.690985  +0.28  -1.80    -2.0000         101
iter: 581 20:03:11   -26.730585  +0.15  -1.98    -2.0000         101
iter: 582 20:03:25   -26.780717  +0.21  -3.06    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 583 20:03:46   -26.719963  -0.20  -4.15c   -2.0000           7
iter: 584 20:04:00   -26.745343  +0.61  -1.84    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 585 20:06:08   -18.749367  +3.13  -0.92    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 586 20:06:35   -26.768751  -0.13  -1.85    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 587 20:11:25   -26.740926  +0.89  -2.02    -2.0000         101
iter: 588 20:12:09   -26.735941  +1.24  -2.21    -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 589 20:13:19    -9.942556  +3.43  -0.93    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 590 20:13:36   -26.749072  +0.29  -4.16c   -2.0000           6
iter: 591 20:13:43   -26.738077  +0.88  -4.26c   -2.0000           5
iter: 592 20:13:53   -26.776289  +0.33  -4.78c   -2.0000           7
iter: 593 20:14:02   -26.789857  +0.28  -3.41    -2.0000           6
iter: 594 20:14:09   -26.793230  +0.72  -3.67    -2.0000           5
iter: 595 20:14:20   -26.787745c +0.54  -3.39    -2.0000           8
iter: 596 20:14:34   -26.739221  +0.79  -3.33    -2.0000          10
iter: 597 20:14:51   -26.625785  +1.38  -5.09c   -2.0000          12
iter: 598 20:17:17   -26.554073  +1.31  -1.87    -2.0000         101
iter: 599 20:17:27   -26.521564  +1.11  -4.30c   -2.0000           7
iter: 600 20:17:37   -26.482456  +1.08  -5.07c   -2.0000           7
iter: 601 20:17:46   -26.463225  +1.03  -4.83c   -2.0000           6
iter: 602 20:17:56   -26.471605  +0.93  -4.53c   -2.0000           7
iter: 603 20:18:04   -26.498369  +0.89  -4.39c   -2.0000           6
iter: 604 20:18:15   -26.551222  +0.82  -5.40c   -2.0000           7
iter: 605 20:18:25   -26.610868  +0.78  -4.52c   -2.0000           7
iter: 606 20:18:36   -26.677904  +0.73  -5.08c   -2.0000           8
iter: 607 20:18:47   -26.767081  +0.55  -4.64c   -2.0000           8
iter: 608 20:18:59   -26.835406  +0.33  -4.50c   -2.0000           8
iter: 609 20:19:10   -26.876926  +0.16  -4.49c   -2.0000           8
iter: 610 20:19:23   -26.896631  +0.14  -4.39c   -2.0000           9
iter: 611 20:19:37   -26.910292  +0.36  -4.32c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 612 20:20:05   -22.489935  +2.85  -5.01c   -2.0000          13
iter: 613 20:20:29   -25.967419  +1.56  -5.26c   -2.0000          16
iter: 614 20:20:52   -26.239889  +0.66  -5.08c   -2.0000          16
iter: 615 20:21:17   -26.319571  +1.03  -3.83    -2.0000          18
iter: 616 20:21:39   -26.430675  +0.57  -4.93c   -2.0000          16
iter: 617 20:22:04   -26.490655  +0.48  -4.63c   -2.0000          16
iter: 618 20:22:33   -26.534235  +0.58  -4.85c   -2.0000          19
iter: 619 20:22:59   -26.589367  +0.21  -4.34c   -2.0000          19
iter: 620 20:23:30   -26.625092  +0.41  -4.82c   -2.0000          22
iter: 621 20:23:53   -26.663866  +0.26  -3.11    -2.0000          16
iter: 622 20:24:22   -26.695547  +0.30  -4.77c   -2.0000          21
iter: 623 20:24:48   -26.724510  +0.33  -2.72    -2.0000          18
iter: 624 20:25:09   -26.753673  +0.29  -4.77c   -2.0000          14
iter: 625 20:27:00   -26.784782  +0.48  -1.84    -2.0000          80
MOM has detected variational collapse, occupied orbitals have changed
iter: 626 20:27:16   -26.758968  +0.78  -0.99    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 627 20:27:34   -26.889234  +1.03  -0.97    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 20:28:03   -26.780692  +0.57  -4.91c   -2.0000          11
iter: 629 20:28:12   -26.794885  +0.64  -4.94c   -2.0000           7
iter: 630 20:28:25   -26.821472  +0.30  -4.27c   -2.0000           7
iter: 631 20:30:48   -26.841059  +0.32  -1.80    -2.0000         101
iter: 632 20:33:09   -26.861335  +0.31  -1.81    -2.0000         101
iter: 633 20:37:50   -26.887511  +0.44  -1.82    -2.0000         101
iter: 634 20:38:14   -26.921499  +0.62  -4.30c   -2.0000          16
iter: 635 20:38:25   -26.967055  +0.06  -4.25c   -2.0000           8
iter: 636 20:38:35   -26.967244  +0.20  -4.06c   -2.0000           7
iter: 637 20:38:45   -27.006619  -0.06  -4.88c   -2.0000           7
iter: 638 20:38:55   -27.022355  +0.05  -4.18c   -2.0000           7
iter: 639 20:39:06   -27.030961  +0.25  -3.71    -2.0000           8
iter: 640 20:39:18   -27.048494  +0.14  -4.30c   -2.0000           9
iter: 641 20:39:31   -27.051535  +0.29  -4.01c   -2.0000           9
iter: 642 20:39:45   -27.051536c +0.42  -4.38c   -2.0000          10
iter: 643 20:39:57   -27.065677  +0.21  -3.68    -2.0000           7
iter: 644 20:40:07   -27.065062  +0.43  -2.65    -2.0000           7
iter: 645 20:40:19   -27.061937c +0.60  -3.61    -2.0000           9
iter: 646 20:40:32   -27.073653  +0.47  -3.19    -2.0000           9
iter: 647 20:40:44   -27.066606  +0.61  -3.72    -2.0000           9
iter: 648 20:40:57   -27.057820  +0.66  -4.48c   -2.0000           9
iter: 649 20:41:11   -27.051495  +0.61  -4.64c   -2.0000          10
iter: 650 20:41:24   -27.002860  +0.89  -4.01c   -2.0000           9
iter: 651 20:41:43   -26.934724  +1.01  -4.98c   -2.0000          14
iter: 652 20:41:56   -26.879361  +0.88  -4.00c   -2.0000           9
iter: 653 20:42:10   -26.742265  +1.10  -2.21    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 654 20:42:34   -22.133717  +2.94  -4.84c   -2.0000          12
iter: 655 20:42:59   -26.044459  +1.74  -4.49c   -2.0000          18
iter: 656 20:43:21   -26.432626  +0.52  -4.55c   -2.0000          15
iter: 657 20:43:49   -26.514354  +1.06  -4.48c   -2.0000          19
iter: 658 20:44:03   -26.643879  +0.35  -2.62    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 659 20:44:24   -26.678438  +0.02  -2.79    -2.0000           7
iter: 660 20:44:36   -26.708196  +0.41  -3.96    -2.0000           8
iter: 661 20:46:55   -26.750945  +0.42  -1.86    -2.0000         101
iter: 662 20:47:12   -26.837807  +0.32  -4.12c   -2.0000          12
iter: 663 20:47:26   -26.914130  +0.13  -4.16c   -2.0000          10
iter: 664 20:47:40   -26.895230  +0.13  -3.80    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 665 20:47:56   -26.949127  +1.14  -3.61    -2.0000           8
iter: 666 20:48:06   -27.017459  +0.89  -3.42    -2.0000           7
iter: 667 20:48:16   -27.068975  +0.35  -4.77c   -2.0000           7
iter: 668 20:48:25   -27.075297  +0.64  -4.35c   -2.0000           5
iter: 669 20:48:33   -27.108155  +0.17  -4.28c   -2.0000           6
iter: 670 20:48:42   -27.119265  +0.47  -4.42c   -2.0000           6
iter: 671 20:48:50   -27.131860  +0.21  -3.08    -2.0000           6
iter: 672 20:48:59   -27.142185  +0.28  -4.16c   -2.0000           6
iter: 673 20:49:09   -27.153095  +0.32  -3.44    -2.0000           7
iter: 674 20:49:17   -27.161869  +0.11  -3.78    -2.0000           6
iter: 675 20:49:25   -27.171074  +0.02  -4.15c   -2.0000           6
iter: 676 20:49:37   -27.174001  +0.39  -4.11c   -2.0000           8
iter: 677 20:49:45   -27.176845c +0.27  -3.70    -2.0000           6
iter: 678 20:49:54   -27.187967  +0.06  -4.45c   -2.0000           6
iter: 679 20:50:05   -27.194001  +0.21  -4.75c   -2.0000           7
iter: 680 20:50:15   -27.193722  +0.23  -4.62c   -2.0000           7
iter: 681 20:50:23   -27.199015c +0.06  -4.48c   -2.0000           6
iter: 682 20:50:32   -27.203436  +0.13  -3.85    -2.0000           6
iter: 683 20:50:41   -27.202617c +0.20  -3.17    -2.0000           7
iter: 684 20:50:50   -27.203672c +0.13  -4.74c   -2.0000           6
iter: 685 20:50:58   -27.205477c +0.16  -3.98    -2.0000           6
iter: 686 20:51:10   -27.205724c +0.18  -4.81c   -2.0000           7
iter: 687 20:51:18   -27.206049c +0.17  -4.21c   -2.0000           6
iter: 688 20:51:27   -27.204172c +0.23  -4.38c   -2.0000           6
iter: 689 20:51:37   -27.202307c +0.28  -4.25c   -2.0000           7
iter: 690 20:51:46   -27.201754c +0.20  -3.73    -2.0000           7
iter: 691 20:51:56   -27.195419  +0.33  -4.25c   -2.0000           7
iter: 692 20:52:10   -27.186471  +0.35  -4.52c   -2.0000           9
iter: 693 20:52:22   -27.174531  +0.41  -4.39c   -2.0000           9
iter: 694 20:52:36   -27.151912  +0.63  -4.57c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 695 20:53:00   -23.509963  +2.62  -3.99    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 696 20:53:18   -26.591402  +1.26  -4.16c   -2.0000           8
iter: 697 20:53:29   -26.671053  +1.06  -4.80c   -2.0000           8
iter: 698 20:53:41   -26.749614  +0.76  -3.37    -2.0000           9
iter: 699 20:53:54   -26.796490  +0.57  -5.57c   -2.0000           9
iter: 700 20:54:07   -26.826696  +0.29  -4.45c   -2.0000           9
iter: 701 20:54:18   -26.840639  +0.30  -3.87    -2.0000           8
iter: 702 20:54:29   -26.854261  +0.21  -3.84    -2.0000           8
iter: 703 20:54:41   -26.862736  +0.62  -3.89    -2.0000           8
iter: 704 20:54:58   -26.856526  +0.60  -4.10c   -2.0000          11
iter: 705 20:55:11   -26.859121  +0.65  -3.94    -2.0000           9
iter: 706 20:55:25   -26.876609  +0.61  -4.61c   -2.0000          10
iter: 707 20:55:40   -26.886725  +0.68  -4.40c   -2.0000          11
iter: 708 20:55:57   -26.892181  +0.75  -4.96c   -2.0000          12
iter: 709 20:56:13   -26.903538  +0.74  -4.52c   -2.0000          11
iter: 710 20:56:29   -26.914558  +0.74  -3.92    -2.0000          12
iter: 711 20:56:46   -26.923085  +0.73  -3.99    -2.0000          12
iter: 712 20:57:05   -26.926100  +0.73  -5.19c   -2.0000          13
iter: 713 20:57:23   -26.923803c +0.76  -4.46c   -2.0000          13
iter: 714 20:57:42   -26.921261c +0.75  -4.40c   -2.0000          13
iter: 715 20:58:00   -26.910130  +0.78  -2.77    -2.0000          13
iter: 716 20:58:16   -26.881493  +0.86  -4.01c   -2.0000          11
iter: 717 20:58:32   -26.839079  +0.91  -4.07c   -2.0000          12
iter: 718 20:58:48   -26.770075  +1.02  -4.39c   -2.0000          11
iter: 719 20:59:02   -26.657019  +1.17  -3.73    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 720 20:59:27   -19.432198  +2.28  -5.16c   -2.0000          14
iter: 721 20:59:54   -22.839678  +2.00  -3.96    -2.0000          18
iter: 722 21:00:09   -24.853270  +1.84  -2.43    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 723 21:00:31   -24.317347  +1.62  -3.33    -2.0000          10
iter: 724 21:00:43   -24.595970  +2.23  -4.89c   -2.0000           9
iter: 725 21:00:59   -25.698406  +1.05  -4.39c   -2.0000           9
iter: 726 21:01:13   -25.883179  +0.69  -4.45c   -2.0000           9
iter: 727 21:01:26   -25.981763  +0.88  -4.73c   -2.0000           9
iter: 728 21:01:41   -26.129890  +0.61  -4.34c   -2.0000          10
iter: 729 21:01:55   -26.259025  +0.16  -4.08c   -2.0000          10
iter: 730 21:02:13   -26.354229  +0.36  -4.59c   -2.0000          13
iter: 731 21:02:35   -26.448077  +0.47  -4.24c   -2.0000          16
iter: 732 21:03:00   -26.546549  +0.40  -4.29c   -2.0000          18
iter: 733 21:05:23   -26.633906  +0.21  -1.86    -2.0000         101
iter: 734 21:05:40   -26.620657  +0.73  -0.99    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 735 21:05:55   -26.524603  +1.35  -0.91    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 736 21:06:11   -26.384448  +1.61  -0.90    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 737 21:06:32   -26.642194  +0.30  -4.74c   -2.0000           6
iter: 738 21:06:41   -26.662127  +0.67  -4.33c   -2.0000           6
iter: 739 21:08:20   -26.704377  +0.26  -2.11    -2.0000          70
MOM has detected variational collapse, occupied orbitals have changed
iter: 740 21:08:36   -26.708104  +0.95  -0.94    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 741 21:09:04   -26.762936  -0.13  -4.47c   -2.0000           8
iter: 742 21:09:11   -26.773221  +0.23  -3.58    -2.0000           5
iter: 743 21:09:18   -26.789508  +0.31  -4.12c   -2.0000           5
iter: 744 21:09:27   -26.825840  +0.03  -1.80    -2.0000           6
iter: 745 21:09:35   -26.849278  -0.00  -3.82    -2.0000           6
iter: 746 21:09:43   -26.864032  +0.03  -4.16c   -2.0000           4
iter: 747 21:09:51   -26.878697  +0.01  -4.42c   -2.0000           6
iter: 748 21:10:02   -26.892434  -0.00  -4.41c   -2.0000           7
iter: 749 21:10:10   -26.902556  -0.01  -4.09c   -2.0000           5
iter: 750 21:10:19   -26.912050  -0.02  -4.29c   -2.0000           6
iter: 751 21:10:39   -26.921686  +0.15  -3.26    -2.0000          14
iter: 752 21:10:51   -26.922784  +0.07  -3.91    -2.0000           8
iter: 753 21:11:02   -26.909510  +0.54  -2.73    -2.0000           8
iter: 754 21:11:11   -26.904308  +0.50  -4.52c   -2.0000           6
iter: 755 21:11:21   -26.912968  +0.35  -4.71c   -2.0000           7
iter: 756 21:11:35   -26.898939  +0.50  -3.66    -2.0000          10
iter: 757 21:11:42   -26.839854  +0.80  -3.43    -2.0000           5
iter: 758 21:11:49   -26.724080  +1.02  -3.73    -2.0000           5
iter: 759 21:12:03   -26.540027  +1.19  -4.52c   -2.0000          10
iter: 760 21:12:13   -26.398496  +1.25  -3.82    -2.0000           7
iter: 761 21:12:23   -26.393213  +1.16  -3.96    -2.0000           7
iter: 762 21:12:32   -26.522361  +0.88  -3.15    -2.0000           6
iter: 763 21:12:44   -26.678814  +0.48  -4.63c   -2.0000           9
iter: 764 21:12:57   -26.771064  +0.35  -4.56c   -2.0000           9
iter: 765 21:13:12   -26.822194  +0.32  -3.96    -2.0000           9
iter: 766 21:13:26   -26.869872  +0.40  -3.70    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 767 21:13:51   -22.030188  +2.76  -4.86c   -2.0000          14
iter: 768 21:14:12   -25.109547  +1.62  -3.90    -2.0000          14
iter: 769 21:14:36   -25.462123  +1.03  -4.81c   -2.0000          17
iter: 770 21:15:06   -25.628311  +1.19  -4.56c   -2.0000          19
iter: 771 21:15:33   -25.814790  +1.00  -4.72c   -2.0000          19
iter: 772 21:15:59   -25.970119  +0.78  -3.26    -2.0000          19
iter: 773 21:16:24   -26.080173  +0.92  -3.85    -2.0000          18
iter: 774 21:16:49   -26.215769  +0.47  -4.07c   -2.0000          18
iter: 775 21:17:03   -26.292531  +0.68  -2.79    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 776 21:17:25   -25.846159  +1.55  -3.26    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 777 21:17:43   -26.349990  +0.76  -4.23c   -2.0000           7
iter: 778 21:17:54   -26.369654  +0.94  -4.12c   -2.0000           6
iter: 779 21:18:02   -26.432542  +0.47  -4.55c   -2.0000           6
iter: 780 21:18:12   -26.458552  +0.75  -4.26c   -2.0000           7
iter: 781 21:18:21   -26.507562  +0.46  -4.41c   -2.0000           6
iter: 782 21:18:33   -26.537031  +0.52  -3.04    -2.0000           8
iter: 783 21:18:43   -26.564378  +0.52  -3.79    -2.0000           7
iter: 784 21:18:54   -26.598289  +0.30  -3.76    -2.0000           8
iter: 785 21:19:07   -26.617246  +0.51  -2.60    -2.0000           9
iter: 786 21:19:21   -26.641305  +0.31  -3.44    -2.0000           9
iter: 787 21:19:34   -26.657119  +0.47  -4.33c   -2.0000           9
iter: 788 21:19:48   -26.661814  +0.61  -2.12    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 21:20:07   -26.015284  +0.86  -3.97    -2.0000           8
iter: 790 21:20:14   -26.033500  +1.25  -4.27c   -2.0000           5
iter: 791 21:20:24   -26.144384  +0.77  -4.12c   -2.0000           7
iter: 792 21:20:34   -26.204307  +0.91  -3.74    -2.0000           7
iter: 793 21:20:47   -26.279782  +0.60  -4.26c   -2.0000           9
iter: 794 21:21:01   -26.322242  +0.64  -4.00    -2.0000          10
iter: 795 21:21:17   -26.366531  +0.80  -4.21c   -2.0000          10
iter: 796 21:21:38   -26.413369  +0.61  -4.72c   -2.0000          15
iter: 797 21:24:00   -26.448163  +0.69  -1.88    -2.0000         101
iter: 798 21:24:17   -26.494079  +0.49  -3.91    -2.0000          12
iter: 799 21:24:35   -26.527280  +0.49  -4.03c   -2.0000          13
iter: 800 21:24:49   -26.553309  +0.44  -4.22c   -2.0000          10
iter: 801 21:25:10   -26.572943  +0.42  -4.36c   -2.0000          14
iter: 802 21:25:28   -26.590490  +0.41  -3.10    -2.0000          12
iter: 803 21:25:44   -26.605831  +0.38  -1.82    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 21:26:03   -26.564462  -0.17  -3.89    -2.0000           5
iter: 805 21:26:11   -26.574258  +0.20  -4.24c   -2.0000           6
iter: 806 21:26:21   -26.586962  +0.06  -4.02c   -2.0000           7
iter: 807 21:26:31   -26.598548  +0.30  -4.33c   -2.0000           7
iter: 808 21:26:37   -26.606130  +0.32  -4.10c   -2.0000           4
iter: 809 21:27:02   -26.614731  +0.34  -3.44    -2.0000          18
iter: 810 21:29:27   -26.603633  +0.08  -1.87    -2.0000         101
iter: 811 21:31:51   -26.552904  +1.11  -1.83    -2.0000         101
iter: 812 21:33:34   -26.652213  +0.78  -1.80    -2.0000          60
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 21:34:05   -26.817741  +0.72  -0.96    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 21:36:02   -26.628223  +0.57  -1.00    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 21:38:39   -26.657824  +0.15  -1.79    -2.0000         101
iter: 816 21:41:04   -26.602813  -0.27  -2.59    -2.0000         101
iter: 817 21:41:20   -26.651431  +0.86  -0.98    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 21:43:52   -26.627056  +0.06  -3.85    -2.0000           7
iter: 819 21:44:03   -26.638163  +0.20  -4.01c   -2.0000           7
iter: 820 21:44:19   -26.656075  -0.02  -1.79    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 21:44:37   -26.644977  +0.66  -0.92    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 822 21:44:52   -26.705314  +0.89  -1.01    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 21:45:09   -26.807650  +0.80  -0.98    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 21:47:43   -26.649450  -0.08  -3.80    -2.0000           9
iter: 825 21:47:57   -26.651908  +0.15  -3.10    -2.0000          10
iter: 826 21:48:07   -26.657300  +0.05  -3.46    -2.0000           7
iter: 827 21:48:23   -26.662474  +0.12  -4.13c   -2.0000          11
iter: 828 21:48:37   -26.665297  +0.21  -3.85    -2.0000          10
iter: 829 21:50:06   -26.671713  +0.36  -1.79    -2.0000          60
MOM has detected variational collapse, occupied orbitals have changed
iter: 830 21:50:22   -26.645823  +0.82  -0.94    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 831 21:51:04   -26.672938  +0.45  -3.58    -2.0000          14
iter: 832 21:51:17   -26.670256  +0.39  -3.65    -2.0000           9
iter: 833 21:51:34   -26.676166c +0.28  -3.59    -2.0000          12
iter: 834 21:51:50   -26.670717c +0.49  -3.32    -2.0000          11
iter: 835 21:52:12   -26.682208  +0.22  -3.84    -2.0000          16
iter: 836 21:52:27   -26.674900  +0.50  -3.53    -2.0000           9
iter: 837 21:52:49   -26.669250  +0.58  -3.55    -2.0000          16
iter: 838 21:53:07   -26.678450  +0.58  -1.80    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 839 21:53:23   -26.651731  +1.16  -0.96    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 21:53:39   -26.783415  +1.22  -1.05    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 21:54:20   -26.683897  +0.85  -4.01c   -2.0000          14
iter: 842 21:54:38   -26.708837  +0.63  -4.07c   -2.0000          13
iter: 843 21:54:53   -26.707410  +0.62  -1.99    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 21:55:10   -26.706845c +0.62  -0.95    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 21:55:49   -26.723438  +0.26  -2.55    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 21:56:05   -26.711824  +0.49  -0.95    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 21:56:45   -26.721856  +0.01  -4.41c   -2.0000          14
iter: 848 21:57:01   -26.711753  +0.30  -4.36c   -2.0000          10
iter: 849 21:57:26   -26.714639  +0.33  -3.94    -2.0000          15
iter: 850 21:59:50   -26.700655  +0.43  -1.84    -2.0000         101
iter: 851 22:02:17   -26.702382  +1.28  -1.87    -2.0000         101
iter: 852 22:05:16   -26.742867  +1.77  -4.23c   -2.0000          23
iter: 853 22:05:36   -25.332528  +2.31  -4.46c   -2.0000          12
iter: 854 22:05:57    -3.263532  +3.49  -4.58c   -2.0000          15
iter: 855 22:06:18    42.692017  +3.94  -3.16    -2.0000          14
iter: 856 22:06:43   106.450423  +4.21  -4.10c   -2.0000          18
iter: 857 22:07:09   179.938614  +4.38  -4.48c   -2.0000          18
iter: 858 22:07:42   254.161200  +4.49  -3.86    -2.0000          22
iter: 859 22:08:19   320.417812  +4.56  -2.51    -2.0000          26
iter: 860 22:09:02   371.407833  +4.61  -4.63c   -2.0000          30
iter: 861 22:11:28   402.640507  +4.62  -1.78    -2.0000         101
iter: 862 22:11:43   403.032777  +4.64  -1.84    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 863 22:12:13    31.328232  +3.58  -1.01    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 22:12:39   202.164549  +4.37  -4.33c   -2.0000           9
iter: 865 22:15:06    75.014908  +3.90  -1.96    -2.0000         101
iter: 866 22:16:03    11.705216  +3.35  -4.82c   -2.0000          25
iter: 867 22:16:59   -13.885970  +2.64  -4.78c   -2.0000          38
iter: 868 22:17:54   -22.308325  +2.12  -4.74c   -2.0000          38
iter: 869 22:18:59   -24.646000  +1.80  -4.20c   -2.0000          45
iter: 870 22:20:10   -25.646759  +1.35  -4.48c   -2.0000          48
iter: 871 22:21:21   -26.072832  +1.08  -2.98    -2.0000          49
iter: 872 22:23:46   -26.253718  +1.00  -3.94    -2.0000         101
iter: 873 22:26:12   -26.365763  +1.37  -2.10    -2.0000         101
iter: 874 22:26:54   -26.638792  +1.27  -4.00    -2.0000          11
iter: 875 22:27:06   -26.879313  +0.41  -3.73    -2.0000           8
iter: 876 22:27:17   -26.920764  +0.01  -3.78    -2.0000           8
iter: 877 22:27:29   -26.930241  -0.06  -4.83c   -2.0000           8
iter: 878 22:27:45   -26.937667  -0.01  -1.78    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 879 22:28:10   -26.505118  +0.71  -4.25c   -2.0000          10
iter: 880 22:28:26   -26.541253  +0.59  -4.47c   -2.0000          11
iter: 881 22:28:43   -26.556739  +0.63  -4.52c   -2.0000          11
iter: 882 22:28:57   -26.589029  +0.64  -4.42c   -2.0000          10
iter: 883 22:29:15   -26.635817  +0.45  -4.25c   -2.0000          12
iter: 884 22:29:33   -26.664086  +0.48  -4.27c   -2.0000          13
iter: 885 22:29:51   -26.688996  +0.50  -4.07c   -2.0000          12
iter: 886 22:30:11   -26.720994  +0.47  -3.76    -2.0000          13
iter: 887 22:30:32   -26.750194  +0.38  -3.02    -2.0000          14
iter: 888 22:30:53   -26.764444  +0.39  -3.18    -2.0000          15
iter: 889 22:33:22   -26.785189  +0.30  -1.79    -2.0000         101
iter: 890 22:36:04   -26.820688  -0.06  -4.44c   -2.0000          11
iter: 891 22:36:16   -26.827652  +0.10  -3.61    -2.0000           8
iter: 892 22:36:27   -26.836991  +0.06  -3.59    -2.0000           7
iter: 893 22:36:42   -26.851534  -0.00  -3.72    -2.0000           9
iter: 894 22:36:56   -26.859499  +0.17  -3.81    -2.0000          10
iter: 895 22:37:09   -26.861075  +0.35  -4.08c   -2.0000           9
iter: 896 22:37:25   -26.868216  +0.36  -4.17c   -2.0000          11
iter: 897 22:37:35   -26.888120  +0.13  -4.06c   -2.0000           7
iter: 898 22:37:46   -26.899889  +0.12  -3.96    -2.0000           7
iter: 899 22:37:56   -26.899807  +0.27  -4.00c   -2.0000           7
iter: 900 22:38:06   -26.902950c +0.29  -3.65    -2.0000           7
iter: 901 22:38:19   -26.912858  +0.29  -3.65    -2.0000           9
iter: 902 22:38:31   -26.916300  +0.32  -3.10    -2.0000           7
iter: 903 22:38:47   -26.917120c +0.31  -3.91    -2.0000          11
iter: 904 22:38:54   -26.920300c +0.29  -3.67    -2.0000           5
iter: 905 22:39:07   -26.921444c +0.26  -3.85    -2.0000           8
iter: 906 22:39:20   -26.912488  +0.39  -3.39    -2.0000           9
iter: 907 22:39:33   -26.899133  +0.40  -4.16c   -2.0000           9
iter: 908 22:39:47   -26.882001  +0.45  -2.98    -2.0000           9
iter: 909 22:39:59   -26.855007  +0.54  -3.33    -2.0000           7
iter: 910 22:40:15   -26.816002  +0.59  -4.42c   -2.0000          11
iter: 911 22:40:28   -26.749318  +0.73  -4.05c   -2.0000           9
iter: 912 22:40:49   -26.652796  +0.94  -2.46    -2.0000          15
iter: 913 22:41:35   -26.711399  +1.41  -1.91    -2.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 914 22:42:03   -26.558763  +0.79  -3.51    -2.0000          10
iter: 915 22:44:27   -26.620959  +0.85  -1.86    -2.0000         101
iter: 916 22:47:04   -26.695949  +0.32  -3.59    -2.0000           9
iter: 917 22:47:17   -26.746110  +0.43  -2.24    -2.0000           9
iter: 918 22:47:32   -26.823131  +0.85  -4.06c   -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 919 22:47:46   -26.971731  +0.92  -3.87    -2.0000           9
iter: 920 22:47:57   -27.116886  +0.25  -3.77    -2.0000           7
iter: 921 22:48:11   -27.125806  +0.39  -3.76    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 922 22:48:39   -26.822842  +0.71  -3.90    -2.0000          11
iter: 923 22:48:57   -26.879121  +0.52  -4.51c   -2.0000          12
iter: 924 22:49:11   -26.924839  +0.25  -3.70    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 925 22:49:30   -26.743740  +0.18  -3.85    -2.0000           7
iter: 926 22:49:40   -26.771706  +0.42  -3.69    -2.0000           7
iter: 927 22:49:52   -26.794345  +0.30  -3.62    -2.0000           8
iter: 928 22:50:07   -26.819618  +0.10  -3.96    -2.0000          10
iter: 929 22:50:21   -26.836086  +0.23  -3.78    -2.0000          10
iter: 930 22:50:38   -26.859767  +0.15  -2.84    -2.0000          12
iter: 931 22:50:54   -26.883185  +0.04  -3.50    -2.0000          11
iter: 932 22:51:11   -26.902730  +0.05  -3.87    -2.0000          12
iter: 933 22:51:30   -26.918692  -0.07  -4.49c   -2.0000          13
iter: 934 22:51:47   -26.927559  +0.02  -4.21c   -2.0000          11
iter: 935 22:52:03   -26.936204  +0.05  -4.33c   -2.0000          11
iter: 936 22:52:22   -26.945925  -0.04  -4.38c   -2.0000          12
iter: 937 22:52:40   -26.953676  -0.10  -4.36c   -2.0000          13
iter: 938 22:52:57   -26.958554  +0.08  -3.70    -2.0000          12
iter: 939 22:53:40   -26.956300c +0.13  -3.40    -2.0000          30
iter: 940 22:53:57   -26.954375c +0.09  -4.20c   -2.0000          11
iter: 941 22:54:13   -26.952228c +0.09  -4.29c   -2.0000          11
iter: 942 22:54:27   -26.943447  +0.13  -3.91    -2.0000          10
iter: 943 22:54:42   -26.930607  +0.18  -3.36    -2.0000          10
iter: 944 22:54:56   -26.916273  +0.18  -4.41c   -2.0000          10
iter: 945 22:55:10   -26.893035  +0.29  -3.62    -2.0000           9
iter: 946 22:55:23   -26.861810  +0.37  -3.87    -2.0000           9
iter: 947 22:55:34   -26.818727  +0.40  -4.45c   -2.0000           8
iter: 948 22:57:59   -26.761345  +0.44  -1.83    -2.0000         101
iter: 949 22:58:13   -26.802319  +0.68  -1.85    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 22:58:35   -26.706392  +0.54  -3.59    -2.0000           7
iter: 951 22:58:46   -26.738642  +0.69  -4.30c   -2.0000           8
iter: 952 22:58:59   -26.771917  +0.43  -3.75    -2.0000           9
iter: 953 22:59:12   -26.799437  +0.47  -4.71c   -2.0000           9
iter: 954 22:59:28   -26.828195  +0.42  -3.66    -2.0000          10
iter: 955 22:59:39   -26.841468  +0.61  -4.24c   -2.0000           7
iter: 956 23:01:12   -26.856968  +0.56  -3.55    -2.0000          65
iter: 957 23:03:41   -26.885413  +0.22  -1.82    -2.0000         101
iter: 958 23:08:11   -26.905170  -0.44  -2.60    -2.0000          85
iter: 959 23:08:22   -26.914591  -0.22  -3.85    -2.0000           8
iter: 960 23:08:34   -26.922085  -0.20  -3.56    -2.0000           8
iter: 961 23:08:52   -26.931360  -0.27  -2.66    -2.0000          13
iter: 962 23:09:19   -26.941385  -0.30  -2.55    -2.0000          19
iter: 963 23:10:07   -26.944330  +0.32  -4.00c   -2.0000          33
iter: 964 23:10:22   -26.914290  +0.73  -3.32    -2.0000          11
iter: 965 23:10:34   -26.884823  +0.76  -4.97c   -2.0000           7
iter: 966 23:10:44   -26.844348  +0.77  -3.18    -2.0000           7
iter: 967 23:11:00   -26.712191  +1.03  -3.74    -2.0000          10
iter: 968 23:11:19   -26.480859  +1.24  -4.41c   -2.0000          13
iter: 969 23:11:35   -26.287140  +1.15  -4.67c   -2.0000          11
iter: 970 23:11:54   -26.087545  +1.47  -5.19c   -2.0000          12
iter: 971 23:12:10   -26.027496  +1.43  -4.61c   -2.0000          11
iter: 972 23:12:31   -26.187783  +1.33  -4.35c   -2.0000          15
iter: 973 23:12:46   -26.438646  +1.13  -2.34    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 974 23:13:10   -25.896552  +1.51  -4.62c   -2.0000          12
iter: 975 23:13:22   -26.166005  +0.26  -4.26c   -2.0000           8
iter: 976 23:13:35   -26.178027  +0.80  -3.70    -2.0000           9
iter: 977 23:13:49   -26.224972  +0.57  -4.33c   -2.0000          10
iter: 978 23:14:05   -26.259461  +0.72  -5.21c   -2.0000          10
iter: 979 23:14:19   -26.303746  +0.52  -4.76c   -2.0000          10
iter: 980 23:14:35   -26.326462  +0.54  -4.15c   -2.0000          10
iter: 981 23:14:47   -26.370707  +0.47  -3.45    -2.0000           8
iter: 982 23:15:00   -26.412931  +0.65  -4.64c   -2.0000           8
iter: 983 23:15:16   -26.470144  +0.27  -3.80    -2.0000          11
iter: 984 23:15:33   -26.505148  +0.32  -4.14c   -2.0000          10
iter: 985 23:15:49   -26.543669  +0.24  -4.54c   -2.0000          11
iter: 986 23:16:03   -26.563714  +0.32  -3.35    -2.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 987 23:16:27   -25.902682  +1.55  -3.83    -2.0000          12
iter: 988 23:16:49   -26.268893  +0.57  -4.27c   -2.0000          14
iter: 989 23:17:13   -26.340273  +0.59  -4.85c   -2.0000          16
iter: 990 23:17:39   -26.378140  +0.44  -3.98    -2.0000          18
iter: 991 23:18:14   -26.406166  +0.40  -4.35c   -2.0000          24
iter: 992 23:18:39   -26.431552  +0.24  -4.35c   -2.0000          18
iter: 993 23:21:08   -26.444616  +0.42  -1.73    -2.0000         101
iter: 994 23:21:49   -26.448408  +0.57  -4.38c   -2.0000          26
iter: 995 23:22:07   -26.463677  +0.52  -3.77    -2.0000          13
iter: 996 23:24:31   -26.485172  +0.37  -1.84    -2.0000         101
iter: 997 23:25:00   -26.451562  +0.65  -1.82    -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 998 23:25:16   -26.452031  +0.99  -1.07    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 999 23:25:31   -26.603880  +1.38  -0.96    -2.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 23:26:12   -26.471666  +0.96  -3.05    -2.0000          20
MOM has detected variational collapse, occupied orbitals have changed

Did not converge!

Here are some tips:

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

See details here:

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


