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

User:   aes38@compute-29
Date:   Fri Oct 20 15:24:49 2023
Arch:   x86_64
Pid:    25975
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 ../mixed.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: 183.50 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: 246.95 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 15:24:58   -27.001338  -2.51  -5.33c   -0.0000           1
iter:   2 15:25:06   -27.001214  -1.34  -3.42    +0.0000           5
iter:   3 15:25:16   -26.983308  +0.28  -2.51    +0.0000           7
iter:   4 15:25:39   -12.807719  +3.17  -2.96    +0.0000          16
iter:   5 15:26:06    26.804524  +3.74  -4.77c   +0.0000          19
iter:   6 15:27:05    89.109182  +4.06  -4.97c   +0.0000          40
iter:   7 15:29:30   169.959922  +4.27  -2.86    +0.0000         101
iter:   8 15:31:59   263.722859  +4.42  -1.83    -0.0000         101
iter:   9 15:34:42   119.436268  +4.05  -1.81    +0.0000         101
iter:  10 15:35:41    32.504702  +3.40  -1.93    +0.0000          40
MOM has detected variational collapse, occupied orbitals have changed
iter:  11 15:36:27    16.251922  +3.25  -0.98    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter:  12 15:37:18   -14.398979  +2.60  -4.91c   -0.0000          26
iter:  13 15:37:56   -23.204277  +2.01  -3.52    -0.0000          26
iter:  14 15:38:32   -25.380207  +1.54  -4.89c   +0.0000          25
iter:  15 15:39:09   -26.206153  +1.01  -4.92c   +0.0000          25
iter:  16 15:39:44   -26.471501  +0.65  -5.10c   +0.0000          24
iter:  17 15:40:21   -26.531646  +0.74  -5.15c   +0.0000          25
iter:  18 15:40:56   -26.560071  +0.82  -4.83c   +0.0000          24
iter:  19 15:41:33   -26.617568  +0.76  -4.99c   +0.0000          25
iter:  20 15:42:09   -26.692183  +0.61  -5.09c   +0.0000          25
iter:  21 15:42:45   -26.753792  +0.46  -5.06c   -0.0000          25
iter:  22 15:43:23   -26.793396  +0.38  -5.09c   -0.0000          25
iter:  23 15:44:07   -26.818837  +0.36  -4.91c   +0.0000          30
iter:  24 15:44:53   -26.840997  +0.31  -4.47c   +0.0000          32
iter:  25 15:45:35   -26.862744  +0.24  -5.20c   +0.0000          28
iter:  26 15:46:23   -26.881019  +0.17  -4.73c   +0.0000          33
iter:  27 15:47:12   -26.894105  +0.16  -4.70c   +0.0000          34
iter:  28 15:48:02   -26.903685  +0.16  -4.98c   +0.0000          33
iter:  29 15:48:51   -26.913011  +0.13  -4.24c   +0.0000          33
iter:  30 15:49:42   -26.923038  +0.09  -5.12c   +0.0000          34
iter:  31 15:50:26   -26.932355  +0.03  -4.80c   +0.0000          30
iter:  32 15:51:10   -26.940121  -0.01  -4.85c   -0.0000          30
iter:  33 15:52:02   -26.945489  -0.01  -4.35c   +0.0000          34
iter:  34 15:52:43   -26.949096  -0.01  -4.43c   +0.0000          28
iter:  35 15:53:31   -26.952652  -0.01  -4.67c   +0.0000          32
iter:  36 15:54:20   -26.956434  -0.04  -4.37c   +0.0000          34
iter:  37 15:55:10   -26.959822  -0.06  -4.17c   +0.0000          34
iter:  38 15:55:59   -26.963216  -0.08  -4.52c   +0.0000          34
iter:  39 15:56:50   -26.966794  -0.10  -4.36c   +0.0000          34
iter:  40 15:57:40   -26.970069  +0.13  -4.37c   +0.0000          35
iter:  41 15:58:24   -26.966391c +0.07  -5.10c   +0.0000          30
iter:  42 15:59:08   -26.962646  +0.12  -4.47c   +0.0000          30
iter:  43 15:59:57   -26.960673c +0.09  -3.96    +0.0000          34
iter:  44 16:00:42   -26.952153  +0.19  -4.80c   -0.0000          31
iter:  45 16:01:31   -26.930827  +0.39  -4.61c   -0.0000          34
iter:  46 16:02:18   -26.889641  +0.60  -4.91c   -0.0000          32
iter:  47 16:03:01   -26.804133  +0.83  -4.55c   -0.0000          30
iter:  48 16:03:41   -26.584709  +1.13  -4.72c   -0.0000          28
iter:  49 16:04:19   -26.186724  +1.39  -5.04c   -0.0000          26
iter:  50 16:04:55   -25.748430  +1.54  -5.84c   +0.0000          25
iter:  51 16:05:31   -25.357330  +1.62  -4.83c   +0.0000          24
iter:  52 16:06:03   -25.072371  +1.64  -5.25c   +0.0000          22
iter:  53 16:06:37   -24.924164  +1.63  -4.84c   +0.0000          23
iter:  54 16:07:09   -24.917042  +1.60  -5.25c   +0.0000          22
iter:  55 16:07:24   -25.035158  +1.59  -2.28    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  56 16:07:42    -8.676152  +3.61  -5.37c   -0.0000           8
iter:  57 16:07:58   -25.485118  +1.66  -1.90    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  58 16:08:14   -22.466727  +2.92  -4.20c   -0.0000           7
iter:  59 16:08:29   -26.141729  +0.94  -1.82    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  60 16:08:49   -26.281417  +0.64  -4.33c   -0.0000           5
iter:  61 16:08:58   -26.410589  +0.60  -3.27    -0.0000           6
iter:  62 16:09:07   -26.504486  +0.16  -4.34c   -0.0000           6
iter:  63 16:09:16   -26.553150  +0.16  -4.09c   -0.0000           6
iter:  64 16:09:23   -26.590477  -0.00  -4.01c   -0.0000           5
iter:  65 16:09:31   -26.616668  +0.11  -3.55    +0.0000           5
iter:  66 16:09:40   -26.640743  +0.04  -4.30c   +0.0000           6
iter:  67 16:09:50   -26.662897  +0.01  -4.54c   +0.0000           7
iter:  68 16:10:03   -26.683363  -0.04  -4.38c   -0.0000           8
iter:  69 16:10:15   -26.698722  +0.18  -3.24    -0.0000           8
iter:  70 16:10:26   -26.701587  +0.13  -4.31c   -0.0000           8
iter:  71 16:10:41   -26.707233  +0.41  -3.17    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  72 16:11:09   -26.271882  +1.23  -1.76    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  73 16:11:28   -25.559796  +1.57  -4.13c   -0.0000           8
iter:  74 16:11:41   -25.621929  +1.64  -4.72c   -0.0000           9
iter:  75 16:11:54   -25.838807  +0.96  -4.23c   +0.0000           9
iter:  76 16:12:07   -25.858972  +1.20  -4.64c   +0.0000           9
iter:  77 16:12:18   -25.953862  +0.73  -2.54    +0.0000           7
iter:  78 16:12:32   -25.984605  +0.92  -4.44c   +0.0000          10
iter:  79 16:12:53   -26.020240  +0.76  -4.35c   +0.0000          14
iter:  80 16:13:07   -25.986798  +1.37  -4.09c   +0.0000          10
iter:  81 16:13:22   -26.109442  +0.73  -3.81    -0.0000          10
iter:  82 16:13:43   -26.110088  +1.11  -4.33c   +0.0000          14
iter:  83 16:13:57   -26.135782  +1.25  -4.23c   +0.0000          10
iter:  84 16:14:28   -26.152535  +1.08  -2.55    +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter:  85 16:14:55   -26.325776  +0.64  -4.34c   +0.0000           9
iter:  86 16:15:08   -26.339493  +0.94  -3.94    -0.0000           8
iter:  87 16:15:26   -26.401436  +0.58  -3.12    -0.0000          11
iter:  88 16:16:29   -26.439392  +1.22  -3.95    -0.0000          43
iter:  89 16:16:43   -26.393951  +1.13  -4.08c   +0.0000          10
iter:  90 16:16:58   -26.411731  +1.14  -5.18c   +0.0000          10
iter:  91 16:17:11   -26.505701  +0.88  -5.31c   +0.0000           9
iter:  92 16:17:27   -26.533328  +0.97  -4.37c   +0.0000          11
iter:  93 16:17:42   -26.531793  +1.06  -4.23c   +0.0000          10
iter:  94 16:17:59   -26.546875  +1.11  -4.15c   +0.0000          10
iter:  95 16:18:22   -26.585035  +1.03  -2.79    +0.0000          16
iter:  96 16:20:50   -26.636348  +0.94  -1.80    +0.0000         101
iter:  97 16:21:05   -26.672246  +0.93  -3.14    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:  98 16:21:26   -26.640731  +0.37  -4.27c   +0.0000           7
iter:  99 16:21:38   -26.657133  +0.76  -3.88    -0.0000           8
iter: 100 16:21:53   -26.681691  +0.66  -3.82    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 101 16:22:17   -26.794476  -0.10  -3.36    +0.0000           6
iter: 102 16:22:26   -26.805460  +0.49  -3.83    +0.0000           6
iter: 103 16:22:38   -26.834507  +0.20  -3.82    +0.0000           7
iter: 104 16:22:54   -26.856840  +0.16  -4.38c   +0.0000          11
iter: 105 16:23:15   -26.872866  +0.15  -4.52c   +0.0000          13
iter: 106 16:23:36   -26.874981  +0.55  -4.03c   +0.0000          14
iter: 107 16:23:55   -26.788211  +1.11  -3.86    +0.0000          13
iter: 108 16:24:06   -26.784078  +0.85  -3.37    +0.0000           7
iter: 109 16:24:19   -26.738728  +0.88  -4.20c   +0.0000           9
iter: 110 16:24:47   -26.571737  +0.41  -3.87    +0.0000          19
iter: 111 16:25:01   -26.669894  +0.45  -4.77c   +0.0000           9
iter: 112 16:25:15   -26.711165  +0.01  -4.51c   +0.0000           9
iter: 113 16:25:25   -26.730942  -0.20  -4.44c   +0.0000           6
iter: 114 16:25:36   -26.744787  -0.12  -4.37c   +0.0000           7
iter: 115 16:25:46   -26.746469  +0.08  -4.42c   +0.0000           7
iter: 116 16:25:57   -26.744151c +0.08  -4.20c   +0.0000           7
iter: 117 16:26:09   -26.750209  +1.44  -3.79    +0.0000           8
iter: 118 16:26:23   -25.996999  +1.47  -3.50    +0.0000          10
iter: 119 16:26:39   -24.993835  +1.90  -1.73    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 120 16:27:03   -26.349776  +1.29  -4.33c   -0.0000          11
iter: 121 16:27:19   -26.571930  +0.84  -4.24c   -0.0000          11
iter: 122 16:27:36   -26.646061  +0.78  -3.87    -0.0000          11
iter: 123 16:27:58   -26.693843  +0.74  -3.79    -0.0000          15
iter: 124 16:28:22   -26.725153  +0.91  -4.32c   -0.0000          16
iter: 125 16:28:50   -26.703970  +1.06  -4.01c   -0.0000          18
iter: 126 16:29:11   -26.690887  +0.89  -5.04c   -0.0000          14
iter: 127 16:29:27   -26.699888  +0.80  -4.52c   -0.0000          11
iter: 128 16:29:43   -26.717266  +0.70  -4.59c   -0.0000          11
iter: 129 16:30:01   -26.719813  +0.64  -4.26c   -0.0000          11
iter: 130 16:30:20   -26.710492  +0.81  -4.59c   -0.0000          13
iter: 131 16:30:39   -26.718974  +0.73  -3.66    -0.0000          13
iter: 132 16:30:55   -26.712102  +0.82  -4.15c   +0.0000          10
iter: 133 16:31:27   -26.791116  +1.63  -3.20    +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 134 16:31:50   -26.606830  +1.41  -4.04c   -0.0000           9
iter: 135 16:32:01   -26.776086  +0.81  -3.86    -0.0000           7
iter: 136 16:32:11   -26.800897  +0.75  -3.91    +0.0000           6
iter: 137 16:32:19   -26.809108  +0.86  -3.70    +0.0000           6
iter: 138 16:32:30   -26.810413  +1.02  -4.65c   +0.0000           7
iter: 139 16:32:37   -26.810465c +1.02  -3.80    +0.0000           5
iter: 140 16:32:48   -26.831639  +0.77  -3.80    +0.0000           7
iter: 141 16:32:58   -26.848724  +0.58  -4.31c   +0.0000           7
iter: 142 16:33:10   -26.861304  +0.46  -4.89c   +0.0000           8
iter: 143 16:33:19   -26.859607  +0.60  -3.47    +0.0000           6
iter: 144 16:33:31   -26.871428  +0.34  -3.21    +0.0000           8
iter: 145 16:33:43   -26.871748  +0.46  -4.41c   +0.0000           8
iter: 146 16:33:53   -26.870136c +0.48  -4.50c   -0.0000           6
iter: 147 16:34:05   -26.867577c +0.55  -3.30    -0.0000           8
iter: 148 16:34:16   -26.859844  +0.73  -4.12c   -0.0000           7
iter: 149 16:34:27   -26.840055  +1.05  -4.49c   -0.0000           8
iter: 150 16:34:39   -26.814910  +1.05  -3.93    -0.0000           8
iter: 151 16:34:52   -26.758371  +1.07  -3.50    -0.0000           9
iter: 152 16:35:11   -26.502579  +1.75  -4.73c   -0.0000          11
iter: 153 16:35:21   -26.293829  +1.82  -3.59    -0.0000           7
iter: 154 16:35:33   -26.341446  +1.48  -3.13    -0.0000           8
iter: 155 16:35:47   -26.276175  +1.42  -3.70    -0.0000           9
iter: 156 16:35:57   -26.208520  +1.46  -4.71c   -0.0000           7
iter: 157 16:36:31   -26.207152  +1.40  -4.87c   -0.0000          22
iter: 158 16:36:46   -26.167722  +1.56  -3.58    -0.0000          10
iter: 159 16:36:59   -26.174576  +1.54  -2.93    -0.0000           9
iter: 160 16:37:14   -26.178042  +1.37  -4.45c   -0.0000          10
iter: 161 16:37:28   -26.196035  +1.51  -4.18c   -0.0000           9
iter: 162 16:37:43   -26.091291  +1.61  -3.26    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 163 16:38:11   -20.564608  +2.95  -5.13c   +0.0000          13
iter: 164 16:38:44   -25.665697  +1.60  -4.47c   +0.0000          22
iter: 165 16:39:19   -25.994887  +1.26  -4.02c   +0.0000          24
iter: 166 16:39:56   -26.104924  +1.27  -4.51c   +0.0000          25
iter: 167 16:40:26   -26.303235  +0.84  -3.05    +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 168 16:42:35   -26.387407  +0.49  -1.84    -0.0000          80
MOM has detected variational collapse, occupied orbitals have changed
iter: 169 16:42:57   -23.556490  +2.73  -4.79c   +0.0000          10
iter: 170 16:43:22   -25.927307  +1.08  -5.00c   +0.0000          17
iter: 171 16:43:46   -26.055735  +1.03  -4.72c   +0.0000          15
iter: 172 16:44:17   -26.222051  +0.77  -4.54c   +0.0000          22
iter: 173 16:44:32   -26.335857  +0.74  -2.30    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 174 16:47:18   -26.478857  +0.58  -1.87    -0.0000         101
iter: 175 16:47:33   -26.603042  +0.86  -2.26    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 176 16:47:54   -26.496582  +0.16  -4.64c   +0.0000           7
iter: 177 16:48:02   -26.517725  +0.70  -3.95    +0.0000           6
iter: 178 16:48:13   -26.558771  +0.60  -4.14c   -0.0000           7
iter: 179 16:48:25   -26.609606  +0.42  -3.60    -0.0000           8
iter: 180 16:48:41   -26.644939  +0.30  -3.76    -0.0000          11
iter: 181 16:48:55   -26.669221  +0.17  -1.81    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 182 16:49:24   -26.657350  +1.17  -3.14    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 183 16:49:41   -26.655917  +0.45  -1.01    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 184 16:50:27   -26.688970  +0.34  -1.82    -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 185 16:50:44   -19.867160  +3.09  -0.98    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 186 16:51:07   -26.741318  -0.06  -3.38    -0.0000           7
iter: 187 16:51:20   -26.764722  +0.16  -3.11    -0.0000           9
iter: 188 16:51:37   -26.783387  +0.60  -3.96    -0.0000          11
iter: 189 16:54:01   -26.833078  +0.80  -1.85    +0.0000         101
iter: 190 16:54:22   -26.745658  +1.15  -3.87    -0.0000          14
iter: 191 16:54:38   -26.758151  +1.00  -4.51c   -0.0000          11
iter: 192 16:54:50   -26.828454  +0.52  -4.19c   -0.0000           8
iter: 193 16:55:04   -26.857711  +0.52  -4.23c   -0.0000           9
iter: 194 16:55:19   -26.848147  +0.78  -3.26    -0.0000          10
iter: 195 16:55:33   -26.801451  +1.11  -1.85    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 196 16:56:00   -27.040642  +1.07  -1.80    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 197 16:56:29   -26.892085  +0.52  -3.41    -0.0000          10
iter: 198 16:56:42   -26.906611  +0.67  -4.94c   -0.0000           9
iter: 199 16:56:57   -26.936431  +0.30  -4.34c   -0.0000          10
iter: 200 16:57:09   -26.952522  +0.30  -2.82    +0.0000           8
iter: 201 16:57:25   -26.967624  +0.19  -4.29c   -0.0000          11
iter: 202 16:57:40   -26.983129  +0.10  -3.87    -0.0000          10
iter: 203 16:58:03   -26.997441  +0.09  -4.22c   -0.0000          15
iter: 204 16:58:35   -26.993363  +0.63  -4.10c   -0.0000          22
iter: 205 16:58:52   -26.885701  +1.31  -3.67    -0.0000          10
iter: 206 16:59:04   -26.797116  +1.22  -4.15c   -0.0000           8
iter: 207 16:59:18   -26.657174  +1.22  -4.63c   -0.0000          10
iter: 208 16:59:36   -26.388592  +1.60  -4.05c   -0.0000          12
iter: 209 16:59:52   -26.362083  +1.15  -4.57c   -0.0000          11
iter: 210 17:00:08   -26.137880  +1.81  -1.82    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 211 17:00:34   -26.966576  +1.02  -4.33c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 212 17:00:52   -26.576854  +0.63  -4.67c   +0.0000           6
iter: 213 17:01:04   -26.633620  +0.60  -4.77c   -0.0000           7
iter: 214 17:01:14   -26.677721  +0.33  -4.02c   -0.0000           7
iter: 215 17:01:24   -26.704240  +0.21  -4.08c   -0.0000           7
iter: 216 17:01:35   -26.714281  +0.22  -3.86    -0.0000           7
iter: 217 17:01:45   -26.717046  +0.36  -4.53c   -0.0000           7
iter: 218 17:01:57   -26.715478c +0.30  -3.90    -0.0000           8
iter: 219 17:02:09   -26.700444  +0.45  -4.13c   -0.0000           8
iter: 220 17:02:24   -26.668374  +1.21  -1.99    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 221 17:02:48   -27.100245  +0.42  -4.55c   +0.0000           9
iter: 222 17:02:58   -27.122194  +0.40  -4.07c   +0.0000           7
iter: 223 17:03:10   -27.141574  -0.07  -3.67    +0.0000           8
iter: 224 17:03:24   -27.147309  +0.27  -4.04c   +0.0000           9
iter: 225 17:03:39   -27.157406  +0.23  -4.66c   +0.0000          10
iter: 226 17:03:50   -27.156727  +0.31  -4.15c   +0.0000           8
iter: 227 17:04:02   -27.163228  +0.07  -3.61    +0.0000           8
iter: 228 17:04:16   -27.162816  +0.33  -3.95    -0.0000           9
iter: 229 17:04:28   -27.165639c +0.23  -3.70    -0.0000           8
iter: 230 17:04:37   -27.166607c +0.20  -4.20c   +0.0000           6
iter: 231 17:04:50   -27.167962c +0.26  -3.64    +0.0000           9
iter: 232 17:05:00   -27.171601c +0.08  -3.65    +0.0000           6
iter: 233 17:05:11   -27.169512c +0.26  -4.28c   +0.0000           7
iter: 234 17:05:22   -27.172698c +0.11  -4.33c   +0.0000           8
iter: 235 17:05:33   -27.171600c +0.22  -4.67c   +0.0000           7
iter: 236 17:05:42   -27.170581c +0.22  -4.04c   +0.0000           6
iter: 237 17:05:55   -27.171518c +0.15  -4.11c   +0.0000           8
iter: 238 17:06:05   -27.171368c +0.22  -4.31c   +0.0000           7
iter: 239 17:06:14   -27.173742c +0.15  -3.15    +0.0000           6
iter: 240 17:06:27   -27.175081c +0.16  -4.42c   +0.0000           8
iter: 241 17:06:37   -27.177373c +0.13  -4.19c   +0.0000           7
iter: 242 17:06:48   -27.179601c +0.13  -4.72c   +0.0000           7
iter: 243 17:06:58   -27.182268c +0.12  -4.42c   +0.0000           7
iter: 244 17:07:11   -27.185537c +0.06  -3.95    +0.0000           9
iter: 245 17:07:22   -27.188495  +0.07  -4.09c   +0.0000           7
iter: 246 17:07:32   -27.192663  +0.01  -3.47    +0.0000           7
iter: 247 17:07:42   -27.194822  +0.03  -3.36    +0.0000           7
iter: 248 17:07:54   -27.197261c +0.01  -3.80    +0.0000           8
iter: 249 17:08:08   -27.201349  -0.07  -4.53c   +0.0000           9
iter: 250 17:08:18   -27.203835  -0.02  -3.30    -0.0000           7
iter: 251 17:08:34   -27.200825c +0.34  -2.67    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 252 17:08:55   -23.097812  +2.77  -3.90    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 253 17:09:15   -26.710917  +0.15  -4.13c   -0.0000           6
iter: 254 17:09:25   -26.730908  +0.20  -3.89    -0.0000           7
iter: 255 17:09:36   -26.745923  +0.01  -4.20c   -0.0000           7
iter: 256 17:09:50   -26.757557  +1.85  -4.18c   -0.0000          10
iter: 257 17:10:13   -25.033165  +1.96  -4.28c   -0.0000          15
iter: 258 17:10:30   -24.854551  +2.03  -3.53    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 259 17:10:51   -24.974639  +1.95  -4.29c   -0.0000          10
iter: 260 17:11:15   -25.611043  +1.64  -4.50c   -0.0000          16
iter: 261 17:11:30   -26.199996  +1.15  -4.02c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 262 17:11:50   -25.859515  +1.14  -4.70c   -0.0000           9
iter: 263 17:11:59   -25.811498  +1.69  -4.26c   +0.0000           6
iter: 264 17:12:16   -26.114407  +1.10  -3.55    +0.0000          11
iter: 265 17:12:34   -26.265177  +1.25  -3.97    +0.0000          11
iter: 266 17:12:50   -26.454760  +0.74  -3.66    +0.0000          11
iter: 267 17:13:07   -26.540719  +0.64  -4.37c   +0.0000          11
iter: 268 17:13:23   -26.620416  +0.63  -4.65c   +0.0000          11
iter: 269 17:13:37   -26.716099  +0.37  -4.34c   +0.0000          10
iter: 270 17:13:54   -26.764428  +0.39  -4.58c   +0.0000          11
iter: 271 17:14:10   -26.801642  +0.42  -3.80    +0.0000          11
iter: 272 17:14:25   -26.843575  +0.13  -2.81    +0.0000          10
iter: 273 17:14:39   -26.867593  +0.07  -4.59c   +0.0000          10
iter: 274 17:14:53   -26.882824  +0.16  -4.03c   +0.0000           9
iter: 275 17:15:11   -26.901768  +0.03  -3.93    +0.0000          11
iter: 276 17:15:28   -26.913738  +0.07  -3.91    -0.0000          12
iter: 277 17:15:47   -26.922232  +0.12  -4.01c   -0.0000          12
iter: 278 17:16:05   -26.931606  +0.02  -3.87    -0.0000          12
iter: 279 17:16:26   -26.936430  +0.00  -4.54c   -0.0000          13
iter: 280 17:16:42   -26.936822c +0.07  -3.76    -0.0000          10
iter: 281 17:16:58   -26.936707c +0.04  -4.16c   -0.0000          11
iter: 282 17:17:13   -26.930928c +0.08  -4.13c   +0.0000          10
iter: 283 17:17:31   -26.918470  +0.20  -4.47c   +0.0000          12
iter: 284 17:17:49   -26.902623  +0.25  -4.15c   +0.0000          12
iter: 285 17:18:05   -26.877505  +0.31  -4.55c   +0.0000          11
iter: 286 17:18:23   -26.833720  +0.42  -4.42c   +0.0000          12
iter: 287 17:18:41   -26.767850  +0.53  -5.48c   +0.0000          12
iter: 288 17:18:56   -26.669786  +0.60  -4.32c   +0.0000          10
iter: 289 17:19:10   -26.526263  +0.71  -4.67c   +0.0000          10
iter: 290 17:19:24   -26.387158  +0.78  -4.78c   +0.0000           9
iter: 291 17:19:36   -26.288363  +0.78  -1.90    +0.0000           8
iter: 292 17:19:49   -26.231054  +0.75  -5.23c   +0.0000           9
iter: 293 17:20:03   -26.200072  +0.77  -4.26c   -0.0000           8
iter: 294 17:20:16   -26.191511  +0.83  -5.00c   +0.0000           9
iter: 295 17:20:34   -26.217218  +0.84  -3.85    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 296 17:20:56   -24.224034  +2.60  -5.18c   -0.0000          10
iter: 297 17:21:19   -26.014907  +1.28  -3.60    -0.0000          16
iter: 298 17:22:05   -26.171603  +1.01  -1.80    -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 299 17:22:28   -26.271170  +0.39  -3.18    +0.0000           7
iter: 300 17:22:41   -26.329415  +0.75  -4.86c   +0.0000           7
iter: 301 17:22:51   -26.429911  +0.31  -4.47c   -0.0000           7
iter: 302 17:23:01   -26.495497  +0.40  -4.59c   -0.0000           7
iter: 303 17:23:12   -26.556367  +0.16  -4.50c   -0.0000           7
iter: 304 17:23:22   -26.591744  +0.19  -4.47c   -0.0000           7
iter: 305 17:23:33   -26.623773  +0.56  -4.52c   -0.0000           7
iter: 306 17:23:48   -26.632521  +0.47  -4.61c   -0.0000          10
iter: 307 17:24:01   -26.644555  +0.47  -4.71c   -0.0000           9
iter: 308 17:24:17   -26.669374  +0.29  -4.66c   -0.0000          11
iter: 309 17:24:29   -26.676091  +0.36  -4.20c   -0.0000           8
iter: 310 17:24:44   -26.676380  +0.40  -4.55c   -0.0000           9
iter: 311 17:24:59   -26.671295c +0.44  -4.18c   -0.0000           9
iter: 312 17:25:14   -26.648426  +0.51  -4.21c   -0.0000          10
iter: 313 17:25:29   -26.594118  +0.61  -4.65c   -0.0000          10
iter: 314 17:25:43   -26.477749  +0.78  -4.40c   -0.0000           9
iter: 315 17:25:58   -26.278740  +1.01  -4.10c   -0.0000          10
iter: 316 17:26:42   -25.899976  +1.23  -2.03    -0.0000          30
MOM has detected variational collapse, occupied orbitals have changed
iter: 317 17:27:03   -26.345856  +0.53  -5.06c   +0.0000           6
iter: 318 17:27:12   -26.404272  +0.73  -4.57c   +0.0000           6
iter: 319 17:27:21   -26.445255  +0.70  -4.44c   -0.0000           6
iter: 320 17:27:30   -26.498005  +0.62  -3.95    -0.0000           6
iter: 321 17:27:41   -26.539007  +0.52  -5.01c   -0.0000           7
iter: 322 17:27:51   -26.574348  +0.43  -4.42c   -0.0000           7
iter: 323 17:28:06   -26.603404  +0.41  -5.02c   -0.0000          10
iter: 324 17:28:15   -26.621247  +0.48  -4.22c   -0.0000           6
iter: 325 17:28:25   -26.635829  +0.47  -4.08c   -0.0000           7
iter: 326 17:28:35   -26.653008  +0.42  -4.50c   -0.0000           7
iter: 327 17:28:47   -26.666782  +0.66  -4.33c   -0.0000           8
iter: 328 17:28:56   -26.662195  +0.68  -3.95    -0.0000           6
iter: 329 17:29:10   -26.658707  +0.83  -4.48c   -0.0000           9
iter: 330 17:29:19   -26.651732  +0.87  -4.16c   -0.0000           6
iter: 331 17:29:28   -26.623369  +0.95  -4.14c   -0.0000           6
iter: 332 17:29:38   -26.574134  +1.02  -4.68c   -0.0000           7
iter: 333 17:29:48   -26.477304  +1.11  -4.93c   -0.0000           7
iter: 334 17:30:02   -26.282256  +1.27  -4.54c   -0.0000           7
iter: 335 17:30:13   -26.077882  +1.32  -4.94c   -0.0000           8
iter: 336 17:30:25   -25.969431  +1.26  -4.61c   -0.0000           8
iter: 337 17:30:37   -25.938603  +1.18  -4.21c   -0.0000           8
iter: 338 17:30:49   -25.928604  +1.13  -5.00c   -0.0000           8
iter: 339 17:30:59   -25.918372  +1.12  -4.03c   -0.0000           7
iter: 340 17:31:11   -25.925855  +1.11  -4.66c   -0.0000           8
iter: 341 17:31:23   -25.959662  +1.07  -5.23c   -0.0000           8
iter: 342 17:31:33   -26.003695  +1.03  -4.48c   -0.0000           7
iter: 343 17:31:46   -26.037011  +1.04  -4.85c   -0.0000           8
iter: 344 17:31:58   -26.058826  +1.08  -5.18c   -0.0000           8
iter: 345 17:32:09   -26.093485  +1.11  -4.54c   -0.0000           7
iter: 346 17:32:23   -26.165881  +1.14  -4.96c   -0.0000           9
iter: 347 17:32:34   -26.280039  +1.18  -4.88c   -0.0000           8
iter: 348 17:32:48   -26.417669  +1.23  -4.69c   -0.0000           9
iter: 349 17:33:17   -26.544397  +1.23  -1.77    -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 350 17:33:38   -26.324503  +1.24  -3.84    +0.0000           9
iter: 351 17:33:53   -26.496011  +0.83  -4.09c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 352 17:36:44   -26.686729  +0.99  -4.72c   +0.0000          14
iter: 353 17:36:58   -26.698148  +1.36  -2.39    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 354 17:37:21   -26.573528  +0.21  -4.87c   -0.0000           7
iter: 355 17:37:33   -26.594169  +0.60  -5.03c   +0.0000           8
iter: 356 17:37:43   -26.623067  +0.59  -3.10    +0.0000           7
iter: 357 17:37:58   -26.656952  +0.68  -4.58c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 358 17:40:58   -26.932027  +1.17  -2.83    -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 359 17:41:27   -26.671324  +0.49  -4.28c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 360 17:46:27   -26.747943  -0.23  -1.77    -0.0000         101
iter: 361 17:48:55   -26.758782  +0.85  -1.82    -0.0000         101
iter: 362 17:49:19   -26.687720  +0.07  -3.95    +0.0000           7
iter: 363 17:49:29   -26.689033  +0.38  -3.51    +0.0000           7
iter: 364 17:49:35   -26.703041  +0.18  -3.66    +0.0000           4
iter: 365 17:49:50   -26.713586  +0.33  -3.22    +0.0000          10
iter: 366 17:50:21   -26.723292  +0.40  -1.79    +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 367 17:55:21   -26.759164  -0.30  -1.81    -0.0000         101
iter: 368 17:55:29   -26.764430  -0.03  -4.49c   -0.0000           5
iter: 369 17:55:41   -26.767768  +0.04  -4.43c   -0.0000           7
iter: 370 17:55:52   -26.772366  +0.10  -4.70c   -0.0000           8
iter: 371 17:56:05   -26.778556  +0.11  -4.18c   -0.0000           7
iter: 372 17:56:22   -26.785229  +0.19  -4.03c   -0.0000          11
iter: 373 17:56:33   -26.788359  +0.27  -4.26c   -0.0000           7
iter: 374 17:56:42   -26.787740c +0.35  -4.28c   -0.0000           6
iter: 375 17:56:53   -26.786312c +0.41  -3.97    -0.0000           8
iter: 376 17:57:38   -26.786600c +0.78  -3.97    -0.0000          31
iter: 377 17:57:53   -26.744102  +0.94  -4.51c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 378 17:58:19   -26.724413  +0.20  -1.83    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 379 17:58:45   -26.824182  -0.02  -4.64c   +0.0000           8
iter: 380 17:58:56   -26.835404  +0.15  -4.61c   +0.0000           7
iter: 381 17:59:12   -26.835698  +0.36  -4.34c   +0.0000          11
iter: 382 17:59:24   -26.842387  +0.30  -4.78c   +0.0000           8
iter: 383 17:59:36   -26.854900  +0.19  -4.28c   +0.0000           7
iter: 384 17:59:46   -26.864934  +0.11  -4.46c   +0.0000           7
iter: 385 17:59:58   -26.870640  +0.15  -4.14c   +0.0000           7
iter: 386 18:00:08   -26.875586  +0.17  -4.47c   +0.0000           7
iter: 387 18:00:20   -26.879550  +0.26  -4.29c   +0.0000           8
iter: 388 18:00:29   -26.879385c +0.29  -3.34    +0.0000           6
iter: 389 18:00:40   -26.879715c +0.40  -4.44c   +0.0000           7
iter: 390 18:00:51   -26.880384c +0.39  -3.84    +0.0000           8
iter: 391 18:01:03   -26.883220c +0.41  -4.36c   +0.0000           8
iter: 392 18:01:17   -26.886381c +0.42  -4.17c   +0.0000           9
iter: 393 18:01:32   -26.882575c +0.51  -4.29c   +0.0000          10
iter: 394 18:01:45   -26.872311  +0.63  -3.86    +0.0000           9
iter: 395 18:02:01   -26.854021  +0.76  -3.61    +0.0000          11
iter: 396 18:02:14   -26.825983  +0.87  -3.70    +0.0000           9
iter: 397 18:02:26   -26.773265  +1.03  -4.01c   +0.0000           8
iter: 398 18:02:38   -26.657267  +1.24  -4.59c   +0.0000           8
iter: 399 18:02:50   -26.526031  +1.36  -4.43c   +0.0000           8
iter: 400 18:03:02   -26.426951  +1.37  -3.60    +0.0000           8
iter: 401 18:03:14   -26.361800  +1.34  -4.32c   +0.0000           8
iter: 402 18:03:25   -26.319221  +1.33  -4.61c   +0.0000           8
iter: 403 18:03:37   -26.296629  +1.34  -4.67c   +0.0000           8
iter: 404 18:03:49   -26.300476  +1.35  -4.17c   +0.0000           8
iter: 405 18:04:01   -26.335922  +1.33  -4.92c   +0.0000           8
iter: 406 18:04:13   -26.396130  +1.29  -4.86c   +0.0000           8
iter: 407 18:04:23   -26.466064  +1.24  -4.57c   +0.0000           7
iter: 408 18:04:35   -26.530192  +1.20  -4.29c   +0.0000           8
iter: 409 18:04:49   -26.577865  +1.18  -4.63c   +0.0000           8
iter: 410 18:05:01   -26.600216  +1.18  -4.26c   +0.0000           7
iter: 411 18:05:11   -26.602419  +1.22  -4.38c   +0.0000           7
iter: 412 18:05:23   -26.598773c +1.24  -4.62c   +0.0000           8
iter: 413 18:05:38   -26.594490  +1.25  -4.23c   +0.0000           9
iter: 414 18:05:53   -26.587637  +1.27  -3.71    +0.0000          10
iter: 415 18:06:07   -26.582280  +1.25  -4.62c   +0.0000          10
iter: 416 18:06:25   -26.572967  +1.26  -3.75    +0.0000          12
iter: 417 18:06:44   -26.548546  +1.31  -3.70    +0.0000          13
iter: 418 18:07:00   -26.527189  +1.31  -4.23c   +0.0000          11
iter: 419 18:07:17   -26.500028  +1.33  -4.25c   +0.0000          11
iter: 420 18:07:36   -26.475035  +1.31  -4.42c   +0.0000          12
iter: 421 18:07:51   -26.455203  +1.33  -3.12    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 422 18:08:25   -25.949693  +1.77  -4.36c   +0.0000          19
iter: 423 18:08:40   -26.430188  +0.84  -2.90    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 424 18:11:23   -26.593066  +0.72  -2.51    +0.0000         101
iter: 425 18:11:42   -26.711335  +0.44  -4.48c   +0.0000          13
iter: 426 18:11:58   -26.752507  +0.08  -4.60c   -0.0000          11
iter: 427 18:12:15   -26.767133  +0.20  -4.00    -0.0000          11
iter: 428 18:12:30   -26.777986  +0.33  -4.16c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 429 18:12:55   -26.569629  +0.26  -4.53c   -0.0000           9
iter: 430 18:13:05   -26.586553  +0.72  -3.65    -0.0000           7
iter: 431 18:13:19   -26.622488  +0.64  -2.64    +0.0000           8
iter: 432 18:13:34   -26.677903  +0.45  -3.84    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 433 18:16:17   -26.690150  +0.20  -1.94    -0.0000         101
iter: 434 18:18:46   -26.703168  +0.21  -1.83    -0.0000         101
iter: 435 18:21:27   -26.719800  -0.15  -3.16    -0.0000           8
iter: 436 18:21:40   -26.724613  +0.17  -3.72    -0.0000           9
iter: 437 18:21:52   -26.734778  +0.29  -3.33    -0.0000           8
iter: 438 18:22:04   -26.744913  +0.26  -3.08    -0.0000           8
iter: 439 18:22:17   -26.756265  +0.23  -4.40c   -0.0000           9
iter: 440 18:22:35   -26.766986  +0.33  -5.14c   -0.0000          12
iter: 441 18:22:55   -26.765874  +0.75  -3.23    -0.0000          14
iter: 442 18:23:17   -26.672564  +1.09  -4.07c   +0.0000          14
iter: 443 18:23:46   -26.734486  +1.19  -1.88    +0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 444 18:24:07   -26.709197  +0.17  -4.12c   -0.0000           6
iter: 445 18:24:16   -26.734718  +0.44  -3.81    -0.0000           6
iter: 446 18:26:48   -26.749814  +0.51  -1.83    -0.0000         101
iter: 447 18:27:03   -26.776925  +0.33  -4.11c   -0.0000          10
iter: 448 18:27:13   -26.800101  +0.19  -4.35c   -0.0000           7
iter: 449 18:27:23   -26.815152  +0.11  -3.61    -0.0000           7
iter: 450 18:27:35   -26.825723  +0.09  -3.61    -0.0000           7
iter: 451 18:27:47   -26.834978  +0.10  -2.75    -0.0000           8
iter: 452 18:28:01   -26.841684  +0.09  -4.27c   -0.0000           9
iter: 453 18:28:15   -26.845258  +0.19  -3.98    -0.0000           9
iter: 454 18:28:31   -26.846662c +0.19  -3.64    -0.0000          11
iter: 455 18:28:45   -26.849827c +0.19  -4.82c   -0.0000           9
iter: 456 18:28:55   -26.852131c +0.21  -3.73    -0.0000           7
iter: 457 18:29:08   -26.852313c +0.25  -4.46c   +0.0000           9
iter: 458 18:29:19   -26.851926c +0.50  -4.49c   -0.0000           7
iter: 459 18:29:29   -26.836021  +0.55  -2.00    -0.0000           7
iter: 460 18:29:42   -26.815117  +0.70  -4.76c   -0.0000           9
iter: 461 18:29:53   -26.801673  +0.72  -4.11c   -0.0000           7
iter: 462 18:30:06   -26.778303  +0.81  -4.07c   -0.0000           8
iter: 463 18:30:16   -26.714149  +1.02  -4.57c   -0.0000           7
iter: 464 18:30:31   -26.571237  +1.22  -3.00    -0.0000          10
iter: 465 18:31:10   -26.314034  +1.44  -3.86    -0.0000          27
iter: 466 18:31:28   -26.171834  +1.52  -5.38c   -0.0000          12
iter: 467 18:31:50   -26.107377  +1.53  -4.73c   -0.0000          14
iter: 468 18:32:06   -26.088525  +1.52  -5.07c   -0.0000          11
iter: 469 18:32:21   -26.116136  +1.47  -4.71c   -0.0000          10
iter: 470 18:32:38   -26.164528  +1.42  -4.14c   -0.0000          12
iter: 471 18:32:59   -26.173383  +1.57  -4.63c   -0.0000          13
iter: 472 18:33:17   -26.234563  +1.51  -4.37c   -0.0000          12
iter: 473 18:33:31   -26.415829  +1.18  -4.42c   -0.0000          10
iter: 474 18:33:48   -26.547978  +0.98  -5.24c   -0.0000          11
iter: 475 18:34:04   -26.554794  +1.03  -4.48c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 476 18:34:25   -26.504096  +1.12  -2.48    -0.0000           9
iter: 477 18:34:42   -26.598745  +1.07  -3.51    -0.0000          12
iter: 478 18:34:58   -26.682284  +0.59  -2.75    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 479 18:35:28   -26.665670  +1.06  -3.75    -0.0000          12
iter: 480 18:35:42   -26.712010  +0.84  -4.37c   +0.0000          10
iter: 481 18:35:54   -26.756327  +0.32  -4.47c   +0.0000           8
iter: 482 18:36:06   -26.769131  +0.33  -4.16c   +0.0000           8
iter: 483 18:36:16   -26.778613  +0.34  -3.95    +0.0000           7
iter: 484 18:36:27   -26.791054  +0.26  -4.13c   +0.0000           7
iter: 485 18:36:37   -26.794883  +0.40  -4.47c   +0.0000           7
iter: 486 18:36:47   -26.802532  +0.38  -3.37    +0.0000           7
iter: 487 18:36:59   -26.814436  +0.27  -4.47c   -0.0000           8
iter: 488 18:37:10   -26.818973  +0.35  -4.37c   +0.0000           7
iter: 489 18:37:40   -26.824208  +0.55  -5.18c   +0.0000          21
iter: 490 18:37:52   -26.818180  +0.56  -3.74    +0.0000           8
iter: 491 18:38:02   -26.813848  +0.67  -3.65    -0.0000           7
iter: 492 18:38:13   -26.820942  +0.67  -3.89    -0.0000           7
iter: 493 18:38:25   -26.817598  +0.79  -4.33c   -0.0000           8
iter: 494 18:38:36   -26.797419  +0.90  -3.71    -0.0000           8
iter: 495 18:38:47   -26.733063  +1.13  -3.62    -0.0000           7
iter: 496 18:38:57   -26.574005  +1.41  -3.87    -0.0000           7
iter: 497 18:39:08   -26.425827  +1.49  -4.34c   -0.0000           7
iter: 498 18:39:18   -26.338320  +1.44  -4.24c   -0.0000           7
iter: 499 18:39:30   -26.284125  +1.36  -3.57    -0.0000           8
iter: 500 18:39:46   -26.269723  +1.51  -1.84    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 501 18:40:17   -26.647853  +1.47  -4.42c   +0.0000          12
iter: 502 18:40:32   -26.967840  +0.94  -4.00    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 503 18:40:53   -26.588181  +0.91  -4.41c   +0.0000           8
iter: 504 18:41:04   -26.613653  +1.03  -4.39c   +0.0000           7
iter: 505 18:41:16   -26.689380  +0.64  -4.50c   +0.0000           8
iter: 506 18:41:27   -26.741005  +0.60  -4.21c   -0.0000           8
iter: 507 18:41:39   -26.787015  +0.31  -4.28c   -0.0000           8
iter: 508 18:41:52   -26.808195  +0.42  -4.74c   -0.0000           9
iter: 509 18:42:06   -26.837664  +0.07  -3.33    -0.0000           9
iter: 510 18:42:19   -26.855054  +0.08  -3.86    -0.0000           9
iter: 511 18:42:31   -26.873515  -0.08  -4.16c   +0.0000           8
iter: 512 18:42:44   -26.885890  +0.03  -3.95    +0.0000           9
iter: 513 18:42:59   -26.902360  -0.15  -4.49c   -0.0000          10
iter: 514 18:43:14   -26.914403  -0.14  -4.03c   -0.0000          10
iter: 515 18:43:28   -26.924706  -0.07  -3.99    +0.0000          10
iter: 516 18:43:44   -26.934994  -0.12  -4.13c   -0.0000          11
iter: 517 18:44:02   -26.944327  -0.09  -3.83    -0.0000          11
iter: 518 18:44:21   -26.953658  -0.07  -3.44    -0.0000          13
iter: 519 18:44:47   -26.954796  +0.12  -4.21c   -0.0000          18
iter: 520 18:45:10   -26.942333  +0.71  -3.45    -0.0000          15
iter: 521 18:45:27   -26.930020  +0.49  -3.81    -0.0000          12
iter: 522 18:45:44   -26.899388  +0.52  -4.36c   -0.0000          11
iter: 523 18:45:58   -26.795006  +0.84  -4.89c   +0.0000          10
iter: 524 18:46:12   -26.645012  +0.99  -4.40c   -0.0000           9
iter: 525 18:46:23   -26.511880  +0.99  -4.69c   -0.0000           8
iter: 526 18:46:35   -26.410321  +0.97  -4.40c   -0.0000           8
iter: 527 18:46:46   -26.346177  +0.95  -4.14c   +0.0000           7
iter: 528 18:46:56   -26.314161  +0.99  -4.26c   +0.0000           7
iter: 529 18:47:11   -26.291977  +1.42  -1.81    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 530 18:47:33   -16.865207  +3.26  -2.63    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 531 18:48:03   -21.358992  +2.21  -3.86    +0.0000          15
iter: 532 18:48:28   -23.582096  +1.36  -4.72c   +0.0000          17
iter: 533 18:48:54   -24.617630  +1.53  -4.93c   +0.0000          18
iter: 534 18:49:24   -25.336313  +1.01  -4.20c   +0.0000          21
iter: 535 18:50:01   -25.685583  +0.86  -4.75c   +0.0000          24
iter: 536 18:50:41   -25.902406  +0.34  -4.28c   +0.0000          27
iter: 537 18:51:22   -26.024847  +0.44  -4.43c   +0.0000          28
iter: 538 18:52:05   -26.135206  +0.02  -4.54c   +0.0000          29
iter: 539 18:52:48   -26.205463  +0.11  -4.43c   +0.0000          29
iter: 540 18:53:33   -26.269193  -0.04  -3.84    +0.0000          31
iter: 541 18:56:01   -26.328706  -0.03  -1.82    +0.0000         101
iter: 542 18:59:27   -26.365973  +0.02  -4.55c   +0.0000           8
iter: 543 18:59:38   -26.405054  +0.12  -3.84    -0.0000           8
iter: 544 19:02:11   -26.447793  +0.22  -1.86    -0.0000         101
iter: 545 19:02:27   -26.546997  +1.18  -2.85    -0.0000          10
iter: 546 19:02:40   -26.973980  +0.12  -2.60    -0.0000           9
iter: 547 19:02:53   -27.093932  -0.24  -3.79    -0.0000           9
iter: 548 19:03:05   -27.111112  -0.63  -4.01c   -0.0000           8
iter: 549 19:03:19   -27.128690  -0.58  -4.12c   -0.0000           9
iter: 550 19:03:30   -27.146896  -0.61  -3.52    -0.0000           8
iter: 551 19:03:42   -27.161820  -0.67  -3.72    -0.0000           8
iter: 552 19:03:52   -27.171450  -0.64  -4.59c   -0.0000           7
iter: 553 19:04:07   -27.176797  -0.58  -4.44c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 554 19:04:34   -25.607041  +2.00  -5.06c   +0.0000          12
iter: 555 19:04:49   -26.230034  +1.00  -3.07    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 556 19:05:07   -25.990177  +1.80  -0.98    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 557 19:05:34   -26.489382  +0.79  -1.77    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 558 19:05:51   -26.395757  +0.50  -4.68c   +0.0000           6
iter: 559 19:06:00   -26.457520  +0.89  -3.61    +0.0000           6
iter: 560 19:06:15   -26.553971  +0.03  -3.29    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 561 19:06:36   -26.569411  +0.22  -4.91c   +0.0000           7
iter: 562 19:06:50   -26.614819  +0.25  -1.80    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 563 19:07:07   -26.574866  -0.25  -3.03    +0.0000           5
iter: 564 19:07:16   -26.600819  -0.02  -3.37    +0.0000           6
iter: 565 19:07:30   -26.628391  -0.13  -3.67    +0.0000           8
iter: 566 19:07:40   -26.652034  -0.10  -2.83    +0.0000           7
iter: 567 19:07:49   -26.669830  -0.16  -2.92    +0.0000           6
iter: 568 19:07:59   -26.683756  -0.10  -3.86    +0.0000           7
iter: 569 19:08:11   -26.696451  +0.00  -3.80    +0.0000           8
iter: 570 19:08:21   -26.708394  +0.10  -4.67c   +0.0000           7
iter: 571 19:08:34   -26.720937  +0.23  -4.67c   +0.0000           8
iter: 572 19:08:48   -26.735870  +0.23  -3.71    +0.0000           9
iter: 573 19:08:58   -26.749925  +0.27  -4.00    +0.0000           7
iter: 574 19:09:08   -26.760911  +0.29  -3.96    +0.0000           7
iter: 575 19:09:22   -26.764321  +0.31  -4.01c   +0.0000           9
iter: 576 19:09:33   -26.759051c +0.35  -3.83    +0.0000           7
iter: 577 19:09:45   -26.744930  +0.34  -4.57c   +0.0000           8
iter: 578 19:09:57   -26.719483  +0.35  -4.22c   +0.0000           8
iter: 579 19:10:08   -26.688120  +0.37  -4.17c   +0.0000           7
iter: 580 19:10:18   -26.652011  +0.36  -3.75    +0.0000           7
iter: 581 19:10:30   -26.613786  +0.37  -4.41c   +0.0000           8
iter: 582 19:10:40   -26.571488  +0.40  -3.77    +0.0000           7
iter: 583 19:10:51   -26.514466  +0.48  -3.96    +0.0000           7
iter: 584 19:11:03   -26.457217  +0.54  -4.96c   +0.0000           8
iter: 585 19:11:13   -26.416396  +0.55  -5.00c   +0.0000           7
iter: 586 19:11:23   -26.388958  +0.55  -4.83c   +0.0000           7
iter: 587 19:11:34   -26.369148  +0.57  -4.75c   +0.0000           7
iter: 588 19:11:45   -26.352448  +0.60  -4.40c   +0.0000           7
iter: 589 19:11:55   -26.337682  +0.61  -4.68c   +0.0000           7
iter: 590 19:12:05   -26.332011  +0.61  -4.70c   +0.0000           7
iter: 591 19:12:17   -26.340839  +0.55  -4.17c   +0.0000           8
iter: 592 19:12:32   -26.312053  +0.73  -4.58c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 593 19:12:53   -26.604634  +0.16  -4.51c   -0.0000           6
iter: 594 19:13:02   -26.633589  +0.05  -4.34c   -0.0000           6
iter: 595 19:13:11   -26.643578  +0.11  -4.38c   -0.0000           6
iter: 596 19:13:19   -26.651734  +0.27  -4.32c   -0.0000           6
iter: 597 19:13:28   -26.660191  +0.36  -4.16c   -0.0000           6
iter: 598 19:13:38   -26.673745  +0.45  -3.88    -0.0000           5
iter: 599 19:13:49   -26.697054  +0.48  -4.23c   -0.0000           6
iter: 600 19:13:59   -26.727661  +0.94  -4.13c   -0.0000           6
iter: 601 19:14:09   -26.720894  +0.93  -4.75c   -0.0000           7
iter: 602 19:14:21   -26.741270  +0.95  -4.85c   -0.0000           8
iter: 603 19:14:33   -26.802979  +0.70  -4.47c   -0.0000           8
iter: 604 19:14:43   -26.833909  +0.64  -4.28c   -0.0000           7
iter: 605 19:14:54   -26.844009  +0.63  -4.03c   -0.0000           7
iter: 606 19:15:05   -26.847857  +0.64  -4.16c   -0.0000           7
iter: 607 19:15:16   -26.848275c +0.63  -4.15c   -0.0000           7
iter: 608 19:15:28   -26.840187  +0.64  -3.66    -0.0000           8
iter: 609 19:15:38   -26.818259  +0.73  -3.49    -0.0000           7
iter: 610 19:15:48   -26.787725  +0.82  -4.18c   -0.0000           7
iter: 611 19:15:59   -26.759288  +0.84  -4.59c   -0.0000           7
iter: 612 19:16:08   -26.728572  +0.86  -4.06c   -0.0000           6
iter: 613 19:16:15   -26.682395  +0.93  -3.95    -0.0000           5
iter: 614 19:16:25   -26.614605  +1.05  -4.83c   -0.0000           7
iter: 615 19:16:36   -26.518509  +1.17  -4.84c   -0.0000           7
iter: 616 19:16:46   -26.415872  +1.25  -4.99c   -0.0000           7
iter: 617 19:16:56   -26.348010  +1.25  -5.16c   -0.0000           7
iter: 618 19:17:05   -26.315948  +1.23  -3.77    -0.0000           6
iter: 619 19:17:16   -26.296406  +1.21  -4.77c   -0.0000           7
iter: 620 19:17:26   -26.271564  +1.21  -4.42c   -0.0000           7
iter: 621 19:17:36   -26.242571  +1.21  -3.80    -0.0000           7
iter: 622 19:17:51   -26.225133  +1.23  -3.25    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 623 19:18:10   -19.252633  +3.17  -5.30c   +0.0000           8
iter: 624 19:18:41   -25.370231  +1.74  -4.15c   -0.0000          21
iter: 625 19:19:15   -25.720804  +0.58  -4.71c   -0.0000          23
iter: 626 19:19:54   -25.736366  +1.25  -4.45c   -0.0000          27
iter: 627 19:20:11   -25.944357  +0.86  -2.34    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 628 19:20:32   -25.872544  +0.39  -3.47    -0.0000           9
iter: 629 19:20:48   -25.900329  +0.12  -4.27c   -0.0000          11
iter: 630 19:21:06   -25.915489  +0.77  -5.07c   -0.0000          12
iter: 631 19:21:17   -25.981196  +0.43  -3.27    -0.0000           8
iter: 632 19:23:44   -26.033481  +0.76  -1.89    -0.0000         101
iter: 633 19:27:42   -26.038694  +0.95  -1.87    -0.0000          60
MOM has detected variational collapse, occupied orbitals have changed
iter: 634 19:28:06   -26.584271  +0.28  -4.54c   +0.0000           7
iter: 635 19:28:16   -26.655788  +0.45  -4.41c   +0.0000           7
iter: 636 19:28:26   -26.700782  +0.46  -4.31c   +0.0000           7
iter: 637 19:28:37   -26.760013  +0.30  -4.46c   +0.0000           7
iter: 638 19:28:47   -26.812044  +0.16  -4.41c   +0.0000           7
iter: 639 19:28:56   -26.849357  +0.03  -3.52    +0.0000           6
iter: 640 19:29:09   -26.877235  -0.02  -4.36c   +0.0000           9
iter: 641 19:29:23   -26.899311  -0.11  -3.94    +0.0000           9
iter: 642 19:29:36   -26.915036  -0.18  -4.38c   +0.0000           9
iter: 643 19:29:46   -26.927167  -0.23  -4.59c   +0.0000           7
iter: 644 19:30:01   -26.937254  -0.25  -4.06c   +0.0000           9
iter: 645 19:30:14   -26.945737  -0.24  -3.62    +0.0000           9
iter: 646 19:30:29   -26.952323  -0.18  -3.94    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 647 19:33:09   -26.066864  -0.19  -4.94c   +0.0000           8
iter: 648 19:33:26   -26.086583  +0.09  -3.66    +0.0000           9
iter: 649 19:33:39   -26.111857  +0.05  -4.88c   +0.0000           8
iter: 650 19:33:53   -26.159883  -0.22  -3.73    +0.0000          10
iter: 651 19:34:08   -26.221975  -0.10  -2.69    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 652 19:34:25   -26.117869  +0.22  -4.50c   -0.0000           6
iter: 653 19:34:35   -26.141067  +0.69  -4.11c   -0.0000           7
iter: 654 19:34:44   -26.171644  +0.56  -4.01c   -0.0000           6
iter: 655 19:34:56   -26.208358  +0.34  -4.28c   -0.0000           8
iter: 656 19:35:07   -26.230371  +0.29  -4.10c   -0.0000           7
iter: 657 19:37:31   -26.178531  +1.18  -2.27    -0.0000         100
MOM has detected variational collapse, occupied orbitals have changed
iter: 658 19:40:09   -26.263066  -0.05  -1.83    +0.0000         101
iter: 659 19:40:24   -26.293277  +0.20  -4.47c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 660 19:42:01   -26.292771  +0.14  -1.83    -0.0000          60
MOM has detected variational collapse, occupied orbitals have changed
iter: 661 19:44:39   -26.299943  +0.04  -3.86    -0.0000           9
iter: 662 19:44:50   -26.309808  +0.22  -2.60    -0.0000           8
iter: 663 19:45:04   -26.335080  +0.26  -3.70    -0.0000           9
iter: 664 19:45:16   -26.379383  +0.18  -4.41c   +0.0000           8
iter: 665 19:45:27   -26.422331  +0.11  -4.60c   +0.0000           8
iter: 666 19:45:39   -26.457382  +0.15  -4.67c   +0.0000           8
iter: 667 19:45:50   -26.489899  +0.22  -4.30c   +0.0000           8
iter: 668 19:46:03   -26.521824  +0.20  -4.11c   +0.0000           9
iter: 669 19:46:17   -26.549167  +0.22  -4.30c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 670 19:46:36   -26.288751  +0.21  -3.96    -0.0000           7
iter: 671 19:46:43   -26.299441  +0.55  -4.58c   -0.0000           5
iter: 672 19:46:53   -26.317539  +0.49  -4.19c   -0.0000           7
iter: 673 19:47:04   -26.345141  +0.51  -3.80    -0.0000           7
iter: 674 19:47:16   -26.379960  +0.48  -4.28c   -0.0000           9
iter: 675 19:47:28   -26.414430  +0.46  -2.69    -0.0000           8
iter: 676 19:47:41   -26.451664  +0.46  -3.70    -0.0000           9
iter: 677 19:47:59   -26.488637  +0.29  -2.94    -0.0000          13
iter: 678 19:48:13   -26.511765  +0.57  -3.84    -0.0000          10
iter: 679 19:48:26   -26.510621  +0.46  -3.67    -0.0000           9
iter: 680 19:50:53   -26.520938  +0.21  -1.84    -0.0000         101
iter: 681 19:52:22   -26.501237  +1.02  -0.92    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 682 19:52:48   -26.603493  +0.11  -3.82    +0.0000           7
iter: 683 19:52:59   -26.622672  +0.27  -3.54    +0.0000           8
iter: 684 19:53:10   -26.634544  +0.28  -3.72    +0.0000           8
iter: 685 19:53:23   -26.651744  +0.29  -2.98    +0.0000           9
iter: 686 19:53:34   -26.663614  +0.38  -4.07c   +0.0000           7
iter: 687 19:54:16   -26.676348  +0.39  -3.43    +0.0000          30
iter: 688 19:56:40   -26.695538  +0.39  -1.91    +0.0000         101
iter: 689 19:59:04   -26.714607  +0.43  -1.93    +0.0000         101
iter: 690 20:01:42   -26.737079  +0.07  -4.18c   +0.0000           9
iter: 691 20:01:53   -26.742250  +0.22  -3.68    +0.0000           8
iter: 692 20:02:10   -26.749360  +0.74  -3.87    +0.0000          12
iter: 693 20:02:23   -26.728468  +0.72  -4.13c   +0.0000           9
iter: 694 20:02:36   -26.730979  +0.74  -4.93c   +0.0000           9
iter: 695 20:02:48   -26.764488  +0.48  -4.10c   +0.0000           7
iter: 696 20:03:00   -26.775194  +0.54  -4.40c   +0.0000           9
iter: 697 20:03:13   -26.771781  +0.70  -3.95    +0.0000           9
iter: 698 20:03:24   -26.781727  +0.71  -3.73    +0.0000           7
iter: 699 20:03:34   -26.809047  +0.58  -4.20c   +0.0000           7
iter: 700 20:03:45   -26.828554  +0.43  -3.93    +0.0000           8
iter: 701 20:03:55   -26.835452  +0.49  -4.27c   +0.0000           7
iter: 702 20:04:08   -26.836182  +0.56  -4.17c   +0.0000           9
iter: 703 20:04:25   -26.841970  +0.52  -2.56    +0.0000          12
iter: 704 20:04:38   -26.851033  +0.47  -4.59c   +0.0000           9
iter: 705 20:04:47   -26.853561  +0.47  -3.39    +0.0000           6
iter: 706 20:05:01   -26.851993c +0.54  -3.22    +0.0000           8
iter: 707 20:07:24   -26.843846  +0.64  -1.85    +0.0000         101
iter: 708 20:09:49   -26.835858  +0.72  -2.06    +0.0000         101
iter: 709 20:11:33   -26.867024  +0.88  -1.82    +0.0000          70
MOM has detected variational collapse, occupied orbitals have changed
iter: 710 20:11:59   -26.839173  +0.03  -4.62c   +0.0000           8
iter: 711 20:12:12   -26.856289  +0.24  -3.42    +0.0000           9
iter: 712 20:12:25   -26.869907  +0.23  -3.86    +0.0000           9
iter: 713 20:12:37   -26.881895  +0.10  -4.52c   -0.0000           8
iter: 714 20:12:50   -26.891780  +0.01  -3.95    +0.0000           9
iter: 715 20:12:58   -26.899545  +0.18  -4.09c   +0.0000           6
iter: 716 20:13:11   -26.900777  +0.19  -4.00c   +0.0000           9
iter: 717 20:13:29   -26.901648c +0.26  -4.41c   +0.0000          11
iter: 718 20:13:39   -26.907906  +0.21  -2.98    +0.0000           7
iter: 719 20:13:54   -26.915607  +0.16  -3.87    +0.0000          10
iter: 720 20:14:08   -26.921153  +0.20  -4.09c   +0.0000          10
iter: 721 20:14:24   -26.927356  +0.26  -3.57    +0.0000          11
iter: 722 20:14:41   -26.932298  +0.22  -4.10c   +0.0000          12
iter: 723 20:14:57   -26.935950  +0.27  -3.10    +0.0000          11
iter: 724 20:15:12   -26.934814c +0.42  -3.20    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 725 20:15:34   -26.849706  +0.02  -3.66    -0.0000           7
iter: 726 20:15:42   -26.863881  +0.35  -4.09c   -0.0000           6
iter: 727 20:15:52   -26.879511  +0.15  -3.79    -0.0000           7
iter: 728 20:16:03   -26.894407  +0.02  -4.10c   -0.0000           7
iter: 729 20:16:15   -26.905137  +0.02  -4.39c   -0.0000           8
iter: 730 20:16:25   -26.915233  -0.10  -3.88    -0.0000           7
iter: 731 20:16:41   -26.922639  -0.12  -3.12    -0.0000          11
iter: 732 20:16:53   -26.927619  -0.07  -4.07c   -0.0000           8
iter: 733 20:19:17   -26.928576c -0.19  -1.84    -0.0000         101
iter: 734 20:19:34   -26.847125  +1.04  -3.96    -0.0000          11
iter: 735 20:19:44   -26.695906  +1.28  -4.47c   -0.0000           7
iter: 736 20:19:56   -26.353151  +1.42  -3.08    -0.0000           8
iter: 737 20:20:10   -25.876879  +1.56  -4.71c   -0.0000           9
iter: 738 20:20:20   -25.336588  +1.68  -3.78    -0.0000           7
iter: 739 20:20:32   -24.828065  +1.76  -4.56c   -0.0000           8
iter: 740 20:20:44   -24.445633  +1.81  -4.51c   -0.0000           8
iter: 741 20:20:55   -24.256648  +1.81  -4.62c   -0.0000           8
iter: 742 20:21:07   -24.287519  +1.76  -4.69c   -0.0000           8
iter: 743 20:21:17   -24.516570  +1.68  -3.88    -0.0000           7
iter: 744 20:21:28   -24.879479  +1.59  -4.54c   -0.0000           8
iter: 745 20:21:44   -25.294941  +1.51  -3.76    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 746 20:22:05   -26.588640  +1.23  -3.44    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 747 20:22:24   -25.784482  +0.62  -4.69c   +0.0000           7
iter: 748 20:22:35   -25.914248  +0.93  -4.27c   +0.0000           7
iter: 749 20:22:47   -26.040846  +0.94  -4.02c   +0.0000           9
iter: 750 20:23:58   -26.222079  +1.42  -3.44    +0.0000          50
MOM has detected variational collapse, occupied orbitals have changed
iter: 751 20:24:14   -25.621721  +2.08  -1.03    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 752 20:24:30   -26.329074  +0.26  -4.09c   -0.0000           5
iter: 753 20:24:39   -26.414935  +0.21  -4.43c   -0.0000           6
iter: 754 20:24:47   -26.494775  -0.02  -3.98    +0.0000           6
iter: 755 20:25:03   -26.553756  -0.26  -3.58    +0.0000           8
iter: 756 20:25:16   -26.590799  -0.38  -4.99c   -0.0000           9
iter: 757 20:25:24   -26.617501  -0.34  -4.47c   -0.0000           6
iter: 758 20:25:34   -26.644880  -0.32  -3.93    +0.0000           7
iter: 759 20:25:46   -26.676539  -0.23  -4.23c   +0.0000           8
iter: 760 20:25:59   -26.710499  -0.16  -4.25c   +0.0000           9
iter: 761 20:26:13   -26.741740  -0.11  -4.63c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 762 20:26:43   -26.861887  +0.35  -4.37c   +0.0000          10
iter: 763 20:27:02   -26.921244  +0.44  -4.18c   +0.0000          12
iter: 764 20:27:19   -26.956557  +0.04  -3.71    +0.0000          12
iter: 765 20:27:33   -26.966076  +0.44  -2.26    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 766 20:27:55   -26.268543  +1.31  -4.30c   -0.0000          10
iter: 767 20:28:05   -26.399878  +0.55  -4.61c   -0.0000           7
iter: 768 20:28:15   -26.416664  +0.75  -4.73c   -0.0000           7
iter: 769 20:28:26   -26.441082  +0.71  -3.83    -0.0000           7
iter: 770 20:28:40   -26.481604  +2.26  -3.39    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 771 20:28:59   -25.415361  +2.22  -4.08c   +0.0000           8
iter: 772 20:29:12   -24.403894  +2.47  -4.69c   +0.0000           9
iter: 773 20:29:26   -24.076537  +2.42  -4.74c   +0.0000          10
iter: 774 20:29:42   -24.430024  +2.39  -4.96c   +0.0000          11
iter: 775 20:29:57   -25.167446  +2.26  -4.57c   +0.0000          10
iter: 776 20:30:11   -26.015046  +1.86  -3.37    +0.0000           9
iter: 777 20:30:25   -26.458047  +1.29  -3.56    +0.0000          10
iter: 778 20:30:38   -26.583503  +0.89  -3.96    +0.0000           9
iter: 779 20:30:56   -26.604357  +0.87  -3.85    +0.0000          13
iter: 780 20:33:21   -26.579385  +1.01  -1.87    +0.0000         101
iter: 781 20:35:47   -26.604160  +0.88  -1.88    +0.0000         101
iter: 782 20:37:56   -26.631692  +1.15  -0.94    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 783 20:39:51   -26.492970  +1.47  -0.97    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 784 20:42:33   -26.651228  +0.53  -1.82    +0.0000         101
iter: 785 20:44:57   -26.677106  +0.32  -1.82    +0.0000         101
iter: 786 20:47:35   -26.740209  +0.25  -1.83    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 787 20:47:51   -26.618228  +0.66  -0.89    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 788 20:48:18   -26.763132  -0.47  -4.10c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 789 20:48:36   -26.564970  +1.11  -0.89    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 790 20:49:05   -26.769609  -0.69  -5.00c   +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 791 20:49:21   -26.615405  +1.42  -0.98    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 792 20:52:00   -26.634889  +0.68  -2.22    +0.0000         101
iter: 793 20:52:15   -26.604578  +0.58  -1.87    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 794 20:52:31   -26.641506  +0.41  -0.95    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 795 20:53:43   -26.772859  +0.37  -0.91    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 796 20:54:15   -26.773370  -0.62  -3.49    -0.0000           9
iter: 797 20:54:25   -26.777866c -0.34  -4.76c   -0.0000           7
iter: 798 20:54:39   -26.784078  -0.33  -1.86    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 799 20:55:08   -26.981766  -0.67  -2.80    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 800 20:55:24   -26.638171  +0.32  -0.93    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 801 20:57:07   -26.765836  +0.83  -0.92    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 802 20:57:37   -26.789756  -0.59  -2.90    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 803 20:57:53   -26.632577  +0.57  -0.89    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 804 20:59:54   -26.771944  +0.66  -0.91    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 805 21:00:25   -26.790364  -0.43  -2.56    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 806 21:00:41   -26.639119  +0.35  -0.89    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 807 21:00:57   -26.980654  +0.26  -0.95    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 808 21:01:13   -26.977045  +0.63  -0.96    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 809 21:01:29   -26.996363  +0.88  -0.95    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 810 21:01:45   -26.740561  +0.93  -0.93    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 811 21:02:01   -26.771699  +0.71  -1.01    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 812 21:02:17   -26.603006  +1.05  -0.94    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 813 21:02:45   -26.781900  +0.42  -3.21    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 814 21:03:01   -26.585407  +1.03  -0.89    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 815 21:03:17   -26.917622  +0.99  -0.97    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 816 21:03:33   -26.661359  +1.41  -0.93    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 817 21:03:49   -26.545542  +1.78  -1.00    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 818 21:04:19   -26.534907  +1.10  -2.62    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 819 21:04:35   -26.575146  +1.24  -0.95    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 820 21:05:20   -26.670310  +1.44  -0.96    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 821 21:06:02   -26.774240  +0.05  -2.44    -0.0000          18
iter: 822 21:06:16   -26.783682  +0.14  -3.32    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 823 21:06:48   -26.984207  -0.04  -2.01    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 824 21:07:04   -26.459824  +1.63  -0.94    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 825 21:07:20   -26.317578  +2.06  -0.94    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 826 21:07:44   -26.549353  +1.26  -2.82    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 827 21:08:15   -26.799834  -0.50  -2.73    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 828 21:08:31   -26.814340  +0.28  -0.95    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 829 21:08:51   -26.595595  +0.71  -2.91    -0.0000           6
iter: 830 21:09:00   -26.603455  +0.72  -3.90    -0.0000           6
iter: 831 21:09:11   -26.630615  +0.23  -2.80    -0.0000           8
iter: 832 21:09:20   -26.629604  +0.48  -3.96    +0.0000           6
iter: 833 21:09:34   -26.642553  +0.11  -3.13    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 834 21:09:50   -26.631216  +0.86  -0.96    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 835 21:10:08   -26.791916  +0.61  -0.93    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 836 21:10:25   -26.959129  +0.80  -0.94    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 837 21:10:56   -26.794472  +0.21  -3.52    +0.0000          12
iter: 838 21:11:07   -26.804428  -0.23  -3.83    -0.0000           7
iter: 839 21:11:21   -26.808105  -0.21  -4.26c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 840 21:11:37   -26.804352c -0.10  -0.94    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 841 21:11:53   -26.633534  +0.89  -0.89    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 842 21:12:20   -26.811255  -0.55  -3.31    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 843 21:12:36   -26.805030  -0.16  -0.94    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 844 21:12:54   -26.624992  +1.01  -0.89    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 845 21:13:23   -26.810862  -0.24  -1.80    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 846 21:13:39   -26.606596  +1.11  -0.89    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 847 21:13:56   -26.973857  +0.23  -0.95    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 848 21:14:12   -26.982288  +0.49  -0.96    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 849 21:14:29   -27.034191  +0.55  -0.95    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 850 21:14:57   -26.820008  -0.53  -1.85    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 851 21:15:14   -26.811933  -0.26  -0.94    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 852 21:15:48   -26.816418  -0.65  -4.06c   -0.0000          11
iter: 853 21:17:44   -26.816524c -0.34  -1.87    +0.0000          80
MOM has detected variational collapse, occupied orbitals have changed
iter: 854 21:22:33   -26.826059  -0.55  -1.85    -0.0000         101
iter: 855 21:24:59   -26.808731  +0.18  -1.88    +0.0000         101
iter: 856 21:25:15   -26.856471  +0.60  -0.96    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 857 21:25:33   -26.624817  +0.87  -0.95    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 858 21:25:49   -26.956453  +0.64  -0.96    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 859 21:26:07   -26.723158  +1.21  -0.94    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 860 21:26:24   -26.476829  +1.70  -0.98    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 861 21:26:41   -26.950231  +0.39  -0.98    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 862 21:27:04   -26.800265  +0.14  -4.33c   -0.0000           8
iter: 863 21:27:18   -26.815921  +0.32  -3.96    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 864 21:27:42   -26.599380  +1.08  -4.27c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 865 21:27:58   -26.567308  +1.32  -0.96    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 866 21:28:14   -26.601121  +1.74  -0.94    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 867 21:28:54   -26.785356  +0.28  -4.97c   -0.0000          10
iter: 868 21:31:19   -26.819771  -0.39  -1.88    -0.0000         101
iter: 869 21:31:35   -26.950883  +0.49  -0.95    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 870 21:31:51   -26.786619  +0.83  -0.93    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 871 21:32:07   -26.934453  +0.89  -0.96    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 872 21:32:39   -26.805242  +0.44  -3.73    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 873 21:32:55   -26.816472  -0.06  -0.93    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 874 21:33:13   -26.964070  +0.03  -0.95    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 875 21:33:37   -26.992156  -0.83  -3.22    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 876 21:34:00   -26.823376  -0.41  -4.53c   +0.0000           8
iter: 877 21:34:12   -26.826257  -0.22  -3.50    +0.0000           8
iter: 878 21:34:26   -26.827961c -0.12  -2.53    -0.0000          10
iter: 879 21:34:38   -26.823696c +0.15  -3.84    -0.0000           8
iter: 880 21:37:04   -26.813556  +0.52  -1.88    -0.0000         101
iter: 881 21:39:41   -26.833694  -0.07  -2.88    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 882 21:39:59   -26.830904  -0.03  -0.93    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 883 21:40:27   -26.837837  -0.27  -2.69    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 884 21:40:43   -26.830911  -0.21  -0.93    -0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 885 21:41:00   -26.981637  -0.26  -0.93    +0.0000           1
MOM has detected variational collapse, occupied orbitals have changed
iter: 886 21:41:29   -26.838588  -0.38  -3.85    +0.0000           8
iter: 887 21:41:42   -26.839410  -0.30  -3.69    +0.0000           9
iter: 888 21:41:53   -26.833046  +0.11  -3.74    +0.0000           8
iter: 889 21:42:05   -26.830857  +0.19  -3.89    +0.0000           8
iter: 890 21:42:26   -26.839547  -0.02  -3.44    +0.0000          15
iter: 891 21:43:04   -26.839531  +0.44  -4.63c   +0.0000          27
iter: 892 21:43:20   -26.825734  +0.52  -4.18c   +0.0000          11
iter: 893 21:43:29   -26.833375  +0.40  -3.82    +0.0000           6
iter: 894 21:43:42   -26.849675  +0.20  -3.71    +0.0000           9
iter: 895 21:43:56   -26.851631  +0.26  -2.72    +0.0000          10
iter: 896 21:44:20   -26.846741c +0.38  -3.08    +0.0000          17
iter: 897 21:46:46   -26.827786  +0.62  -1.90    -0.0000         101
iter: 898 21:49:10   -26.803979  +0.68  -1.78    -0.0000         101
iter: 899 21:49:21   -26.704063  +0.90  -2.91    -0.0000           8
iter: 900 21:49:32   -26.401627  +1.23  -3.61    -0.0000           7
iter: 901 21:49:46   -26.087670  +1.41  -4.93c   -0.0000          10
iter: 902 21:50:03   -26.060441  +1.40  -4.34c   -0.0000          11
iter: 903 21:50:15   -26.262692  +1.28  -4.98c   -0.0000           8
iter: 904 21:50:25   -26.407382  +0.98  -4.28c   -0.0000           7
iter: 905 21:50:35   -26.376540  +0.75  -4.29c   -0.0000           7
iter: 906 21:50:46   -26.427579  +1.07  -4.83c   -0.0000           8
iter: 907 21:50:58   -26.464095  +1.12  -4.24c   -0.0000           8
iter: 908 21:51:10   -26.376198  +1.07  -4.66c   -0.0000           8
iter: 909 21:51:24   -26.405022  +1.17  -4.95c   -0.0000           9
iter: 910 21:51:35   -26.470231  +1.20  -4.46c   -0.0000           8
iter: 911 21:51:51   -26.423646  +1.20  -4.33c   -0.0000           9
iter: 912 21:52:06   -26.357129  +1.22  -4.69c   -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 913 21:52:30   -26.235954  +1.52  -3.88    -0.0000          12
iter: 914 21:52:49   -26.502974  +1.44  -5.18c   -0.0000          13
iter: 915 21:53:03   -26.709284  +0.78  -3.28    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 916 21:53:42   -26.695068  +0.48  -4.51c   +0.0000           8
iter: 917 21:53:56   -26.711623  +0.46  -1.79    +0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 918 21:54:16   -26.693208  -0.12  -3.98    -0.0000           6
iter: 919 21:54:27   -26.707983  +0.53  -4.75c   -0.0000           7
iter: 920 21:54:41   -26.705325  +0.36  -3.27    -0.0000          10
iter: 921 21:57:06   -26.721374  +0.07  -1.83    -0.0000         101
iter: 922 21:57:18   -26.738969  -0.15  -3.73    -0.0000           8
iter: 923 21:57:34   -26.747491  -0.01  -3.35    -0.0000          11
iter: 924 21:57:45   -26.754465  +0.21  -3.97    -0.0000           8
iter: 925 21:57:57   -26.745244  +0.71  -4.30c   -0.0000           8
iter: 926 21:58:10   -26.729528  +0.78  -4.69c   -0.0000           8
iter: 927 21:58:21   -26.740626  +0.82  -5.20c   -0.0000           8
iter: 928 21:58:33   -26.757203  +0.73  -4.45c   -0.0000           8
iter: 929 21:58:43   -26.777179  +0.72  -4.09c   -0.0000           7
iter: 930 21:58:55   -26.797885  +0.70  -4.13c   -0.0000           8
iter: 931 21:59:10   -26.803787  +0.73  -4.28c   -0.0000          11
iter: 932 21:59:20   -26.811760  +0.74  -4.04c   -0.0000           7
iter: 933 21:59:32   -26.827189  +0.69  -4.37c   -0.0000           8
iter: 934 21:59:44   -26.834118  +0.70  -4.15c   -0.0000           8
iter: 935 21:59:57   -26.831547  +0.72  -4.53c   -0.0000           9
iter: 936 22:00:09   -26.823833  +0.77  -4.61c   -0.0000           8
iter: 937 22:00:21   -26.817620  +0.81  -4.54c   -0.0000           8
iter: 938 22:00:35   -26.809320  +0.82  -4.75c   -0.0000          10
iter: 939 22:00:50   -26.786471  +0.89  -5.33c   -0.0000          10
iter: 940 22:01:04   -26.747251  +0.96  -4.74c   -0.0000          10
iter: 941 22:01:18   -26.681251  +1.05  -4.57c   -0.0000          10
iter: 942 22:01:37   -26.559397  +1.19  -3.76    -0.0000          11
iter: 943 22:01:52   -26.398408  +1.30  -5.63c   -0.0000          11
iter: 944 22:02:11   -26.274625  +1.32  -4.56c   -0.0000          11
iter: 945 22:02:27   -26.200377  +1.29  -4.74c   -0.0000          11
iter: 946 22:02:42   -26.151541  +1.26  -4.79c   -0.0000          11
iter: 947 22:03:00   -26.119401  +1.26  -4.91c   -0.0000          12
iter: 948 22:03:17   -26.108460  +1.26  -4.55c   -0.0000          12
iter: 949 22:03:31   -26.119031  +1.25  -3.31    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 950 22:04:03   -15.015926  +2.90  -4.80c   -0.0000          17
iter: 951 22:04:31   -23.325863  +2.24  -4.63c   -0.0000          19
iter: 952 22:05:05   -25.176073  +1.28  -4.24c   -0.0000          22
iter: 953 22:05:42   -25.763191  +1.46  -4.76c   -0.0000          25
iter: 954 22:06:47   -26.199838  +0.61  -3.73    -0.0000          45
iter: 955 22:07:33   -26.350134  +0.01  -4.01c   -0.0000          32
iter: 956 22:08:31   -26.426426  -0.12  -3.98    -0.0000          41
iter: 957 22:09:25   -26.476099  +0.19  -4.33c   -0.0000          38
iter: 958 22:09:39   -26.521228  +0.26  -1.78    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 959 22:10:14   -26.556455  +1.05  -4.11c   -0.0000          14
iter: 960 22:10:32   -26.626123  +0.65  -4.90c   -0.0000          13
iter: 961 22:10:43   -26.685745  +0.30  -3.45    -0.0000           7
iter: 962 22:10:54   -26.731710  +0.20  -4.04c   -0.0000           7
iter: 963 22:11:04   -26.772964  +0.19  -3.42    -0.0000           7
iter: 964 22:11:13   -26.817397  -0.04  -3.60    -0.0000           6
iter: 965 22:11:23   -26.844664  -0.02  -4.01c   -0.0000           7
iter: 966 22:11:35   -26.866353  -0.16  -4.45c   -0.0000           8
iter: 967 22:11:48   -26.881324  -0.22  -5.17c   -0.0000           9
iter: 968 22:12:01   -26.891357  -0.13  -3.76    -0.0000           9
iter: 969 22:12:15   -26.893048  +0.09  -4.43c   -0.0000          10
iter: 970 22:12:29   -26.894737c +0.07  -4.09c   -0.0000          10
iter: 971 22:12:41   -26.903583  -0.04  -3.94    -0.0000           8
iter: 972 22:12:57   -26.908980  -0.11  -4.50c   -0.0000          11
iter: 973 22:13:10   -26.907801c -0.07  -4.12c   -0.0000           9
iter: 974 22:13:23   -26.904398c -0.03  -4.07c   +0.0000           9
iter: 975 22:13:34   -26.900265  +0.03  -4.67c   +0.0000           8
iter: 976 22:13:46   -26.896089  +0.06  -4.99c   +0.0000           8
iter: 977 22:13:59   -26.889291  +0.09  -3.93    -0.0000           9
iter: 978 22:14:10   -26.876530  +0.18  -4.40c   -0.0000           8
iter: 979 22:14:22   -26.861308  +0.21  -4.20c   -0.0000           8
iter: 980 22:14:33   -26.840096  +0.29  -4.48c   -0.0000           8
iter: 981 22:14:52   -26.805277  +0.42  -4.12c   -0.0000          13
iter: 982 22:15:10   -26.726137  +0.68  -4.24c   -0.0000          11
iter: 983 22:15:29   -26.613489  +0.81  -4.27c   -0.0000          12
iter: 984 22:15:43   -26.527669  +0.84  -4.83c   -0.0000          10
iter: 985 22:15:57   -26.478849  +0.86  -2.77    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter: 986 22:16:18   -22.297063  +2.72  -4.46c   +0.0000          10
iter: 987 22:16:57   -24.874835  +1.78  -4.27c   +0.0000          28
iter: 988 22:17:23   -25.388184  +1.34  -4.78c   -0.0000          17
iter: 989 22:17:49   -25.714312  +1.20  -4.37c   -0.0000          18
iter: 990 22:18:13   -25.947994  +0.97  -4.24c   -0.0000          17
iter: 991 22:18:42   -26.136585  +0.65  -5.10c   -0.0000          20
MOM has detected variational collapse, occupied orbitals have changed
iter: 992 22:18:58   -25.592950  +1.49  -3.65    -0.0000           7
iter: 993 22:19:12   -25.834105  +0.83  -4.55c   -0.0000          10
iter: 994 22:19:26   -25.885707  +0.91  -4.77c   -0.0000           9
iter: 995 22:19:40   -25.954829  +0.77  -4.41c   -0.0000          10
iter: 996 22:19:54   -26.030153  +0.46  -4.16c   -0.0000           9
iter: 997 22:20:16   -26.069960  +0.48  -3.99    -0.0000          14
iter: 998 22:20:34   -26.138016  +0.23  -3.79    -0.0000          12
iter: 999 22:20:48   -26.202465  +0.45  -1.81    -0.0000          10
MOM has detected variational collapse, occupied orbitals have changed
iter:1000 22:21:13   -26.310931  +0.50  -3.39    +0.0000           7

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


