A fast and precise DFT wavelet code

Minima Hopping Guided Path Search

A fast and precise DFT wavelet code
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Minima hopping guided path search (MHGPS) is an approach to find pathways (through transition states) between different (meta) stable states on a potential energy surface.[1]

In the BigDFT suite, MHGPS is implemented in the mhgps executable as a post-processing tool of sequences of MH accepted local minima. This means, first one or more MH runs have to be performed. Then, the output of MH is used by the mhgps executable to find intermediate transition states and additional minima.

For the MH runs, it is referred to the MH section.


The mhgps executable cannot only be used for the full MHGPS approach, but also to simply find the transition states in between two given (geometrically close) minima, or to find a transition state starting at some arbitrary (physically meaningful) configuration. The SQNS algorithm is used to converge to transition states and the SQNM algorithm is used to converge to local minima.[2]


Contents

Input files

In addition to the BigDFT input.yaml, mhgps needs further input files:

  • mhpgs.inp contains all parameters for finding connected pathways between a given sequence of local minima
  > cat mhgps.inp
5 F                                #mhgps_verbosity, singlestep
connect  T                        #operation_mode, random_minmode_guess
30                               #nsadmax
F                                #external_minimizer
3.0E-03 3.0E-03                 #en_delta_min, fp_delta_min
1.0E-03 1.0E-03                  #en_delta_sad, fp_delta_sad
F                                #biomode
1.0E-01                          #lst_interpol_stepfrct
1.0E+00                          #ts_guess_gammainv
1.0E-03                          #ts_guess_perpnrmtol
8.00E-01                          #ts_guess_trust
1                                 #ts_guess_nstepsmax
5.e+0 5e-3                        #max. time step in fire optimizer of lst function, convergence criterion
5000 5000                        #nit_trans, nit_rot
10 4                            #nhistx_trans, nhistx_rot
100 100                          #saddle_steepthresh_trans,saddle_steepthresh_rot
3.000E-04                        #fnrm 
1.E+00  0.1E+00 1.00E+01 1.00E+01 #alpha0_trans, alpha0_rot, alpha_stretch0, alpha_rot_stretch0
5.000E-03                        #saddle_curvgraddif
0.2E+00  0.8E+00                 #saddle_rmsdispl0, saddle_trustr
1.000E-02  5.000E-03  T          #tolc, tolf, tighten
-20.95E+00                       #saddle_minoverlap0
1.000E-02                        #saddle_maxcurvrise
1.000E-04                        #saddle_cutoffratio
5                                #saddle_recompIfCurvPos
0.05E+00  2.0                        #saddle_stepoff
15                               #mini_nhistx
2000                             #mini_ncluster_x
0.0                              #frac_fluct
1.000E-04                        #forcemax
1.000E-06                        #mini_maxrise
1.000E+00                        #mini_betax
4.000E-01                        #mini_beta_stretch_x
1.000E-04                        #mini_cutoffRatio
10                              #mini_steepthresh
0.5                              #mini_trustr
  1. mhgps_verbosity: verbosity of mhgps. An integer between 1 and 5.
  2. mhgps_verbosity: only compute one transition state (incl. neighbored minima). Restart the run to compute the next TS.
  3. operation_mode: Defines the type of job mhgps should execute on the input geometries. Values: connect, guessonly, hessian, simple, simpleandminimize, minimize, hessian.
    • connect: The mhgps executable will search for intermediate transition states and minima in between consecutive minima.
    • guessonly: The mhgps executable will only create the transition state guesses.
    • simple: Starting at each input structure, the mhgps executable will try to converge to a transition state.
    • simpleandminimize: Same like simple, but additionally relaxes to both adjacent minima after converging to a transition state.
    • minimize: Starting at each input structure, mhgps will try to converge to a local minimum (using the SQNM algorithm).
    • hessian: Mhgps will compute the Hessian for each input structure.
  4. random_minmode_guess: (T)rue or (F)alse. Used if operation_mode=simple. Uses a random input guess for the minimum mode if T. If F, the input guess is read in from each files.
  5. nsadmax: Number of transition states that should be looked for in between two input minima before the connection attempt for those two minima is stopped.
  6. external_minimizer: (T)rue or (F)alse. Use an externally implemented minimizer for relaxation. Not implemented yet. Keyword has no effect.
  7. en_delta_min, fp_delta_min: If the energy difference between two minima < en_delta_mina and if the finger print difference between two minima < fp_delta_min, then the two minima are considered to be identical.
  8. en_delta_sad, fp_delta_sad: If the energy difference between a configuration and a saddle point < en_delta_mina and if the finger print difference between the configuration and the saddle point < fp_delta_min, then the configuration is considered to be identical to the saddle point.
  9. biomode: T or F. T activates additional preconditioning for bio-molecules, like, for example, alanine dipeptide.
  10. lst_interpol_stepfrct: The step size of interpolating inwards in the freezing string algorithm is given by the fraction 'lst_interpol_stepfrct' of the initial distance between two minima.
  11. ts_guess_gammainv: Step size of the CG algorithm that is used to relax perpendicular to the interpolation path.
  12. ts_guess_perpnrmtol: The relaxation perpendicular to the interpolation path is stopped if the norm of the force perpendicular to the interpolation path is smaller than ts_guess_perpnrmtol.
  13. ts_guess_trust: No atom is allowed to move more than by ts_guess_trust during the relaxation perpendicular to the interpolation path.
  14. #max. time step in fire optimizer of lst function: self-explanatory
  15. convergence criterion: fire optimization of lst function stops if gradient norm drops below this value.
  16. nit_trans: Maximum number of translation iterations per saddle point optimization.
  17. nit_rot: Maximum number of iterations per minimum mode optimization.
  18. nhistx_trans: history length of quasi newton approach for translational moves of transition state optimization.
  19. nhistx_rot: history length of quasi newton approach for minimum mode optimization.
  20. saddle_steepthresh_trans: If the force norm is large than saddle_steepthresh_trans, a steepest descent like approach is used for the translational moves of the transition state optimization
  21. saddle_steepthresh_rot: If the norm of the gradient of the curvature is large than saddle_steepthresh_rot, a steepest descent like approach is used for the optimization of the minimum mode.
  22. fnrm: tolerence convergence criterion for saddle point. Saddle point optimization is stopped, if the norm of the force < fnrm.
  23. alpha0_trans: step size for geometry related saddle optimization
  24. alpha_stretch0: step size for geometry related saddle optimization in bon stretching directions (if biomode=T, ignored if biomode=F)
  25. alpha0_rot: step size for curvature minimization
  26. alpha_rot_stretch0: step size for curvature minimization related to bond stretchings (if biomode=T, ignored if biomode=F)
  27. saddle_curvgraddif: finite difference spacing for curvature calculation (by zero order FD of forces)
  28. saddle_rmsdispl0: integrated root means square displacement after which the minimum mode is re-optimized
  29. saddle_trustr: during the saddle search no atom is allowed to move more than by saddle_trustr per iteration
  30. tolc: Coarse gradient norm tolerance for curvature optimization. Coarse tolerance criterion is always used, except in the tightening phase (see keyword 'tighten' below). Curvature optimization is stopped if the norm of the gradient of the curvature drops below this value.
  31. tolf: Fine gradient norm tolerance for curvature optimization. Fine tolerance criterion is only used if optimization is in the tightening phase (see keyword 'tighten' below). Curvature optimization is stopped if the norm of the gradient of the curvature drops below this value.
  32. tighten: T or F. If T, tolf is used as convergence criterion for the curvature optimization if the algorithm is already close to the transition state. Set to T if very exact minimum mode at the transition state are needed.
  33. saddle_minoverlap0:Curvature optimization is stopped if the overlap of the current minimum mode and the previously calculated minimum mode drops below this value. This feature activated with this keyword is not needed in virtually all cases. Deactivate this feature by using a negative value.
  34. saddle_maxcurvrise: During the minimum mode optimization (which is a minimization of the curvature) the curvature is not allowed to raise by more than saddle_maxcurvrise per iteration. Steps are rejected of the curvature raises by more than saddle_maxcurvrise.
  35. saddle_cutoffratio: Determines which displacement vectors form the significant subspace. 10e-4 works well for most systems and typical production accuracy of forces. (only for the transition state optimization)
  36. saddle_recompIfCurvPos: Revompute the curvature after saddle_recompIfCurvPos iteration steps if the curvature is positive.
  37. saddle_stepoff: Determines the distance the algorithm steps away from a transition state before it relaxes to the neighboured minima.
  38. mini_nhistx: Length of the history of gradients and positions used to build an approximate hessian (only for geometry minimization). 10 works fine for most systems. Typically 5 <=nhistx<=20.
  39. mini_ncluster_x: Maximum number of steps for the geometry minimizations.
  40. frac_fluct, forcemax:Convergence criteria for the geometry minimization. The geometry minimization stops either if the norm of the individual forces acting on any atom in the system is smaller than forcemax or if the forces get noisy. Noise is present because of the underlying integration grid. The parameter frac_fluct specifies how small the forces should become compared to the noise level to stop the geometry optimization. Values in between 1 and 10 is are reasonable for this parameter. A value of 2 means that the geometry optimization will stop when the largest atomic force is comparable to the 2 times the average noise in the forces themselves. For values of frac_fluct smaller than 1 one can under certain circumstances obtain better relaxed geometries but one risks that the geometry optimization will not converge since the forces are too noisy. In such a case one should closely monitor the progress of the geometry optimization.
  41. mini_maxrise: The energy is not allowed to rise by more than mini_maxrise during a minimization.
  42. mini_betax: Step size for minimization.
  43. mini_beta_stretch_x: Step size parallel to bond stretching for minimization (only if biomode=T)
  44. mini_cutoffRatio: Determines which displacement vectors form the significant subspace. 10e-4 works well for most systems and typical production accuracy of forces. (only for the minimization part)
  45. mini_steepthresh: If the force norm is larger than mini_steepthresh, steepest descent instead of SQNM is used. Usually mini_steepthresh can be set to very large values so that steepest descent is actually never used. SQNM is stable enough in all known cases. (only for the minimization part)
  46. mini_trustr: Trustradius. Atoms are not allowed to be displaced by more than trustr within one iteration. (only for minimization part)


  • ioputXXX/ ioput001 to ioput999 are in- and output directories. On input, they contain the sequence of local minima that should be connected via transition states. Mhgps will iterate over all the files posXXX.xyz in ioputXXX and will connect pos001.xyz with pos002.xyz, pos002.xyz with pos003.xyz and so on. Alternatively, a job_list file can be given in each ioputXXX directory that explicitely contains a list of local minima to be connected:
 > cat job_list
  posacc_000001.xyz  posacc_000002.xyz
  posacc_000002.xyz  posacc_000003.xyz
  posacc_000003.xyz  posacc_000004.xyz
  ...

If the job_list file is given, each pair of local minima given on each line is connected via intermediate transition states.

Examples

C60 Stone Wales Defect (DFT)

Stone Wales Defect as computed by MHGPS

input files

mhgps.inp

5 T                                #mhgps_verbosity
connect  T                        #operation_mode, random_minmode_guess hessian
30                               #nsadmax
F                            #efmethod, external_minimizer
3.0E-03 3.0E-03                 #en_delta_min, fp_delta_min
1.0E-03 1.0E-03                  #en_delta_sad, fp_delta_sad
F                                #biomode
1.0E-01                          #lst_interpol_stepfrct
1.0E+00                          #ts_guess_gammainv
1.0E-03                          #ts_guess_perpnrmtol
8.00E-01                          #ts_guess_trust
1                                 #ts_guess_nstepsmax
5.e+0 5e-3                        #max. time step in fire optimizer of lst function, convergence criterion
5000 5000                        #nit_trans, not_rot
10 4                            #nhistx_trans, nhistx_rot
100 100                          #saddle_steepthresh_trans,saddle_steepthresh_rot
3.000E-04                        #fnrm tolerence convergence criterion for saddle point
1.E+00  0.1E+00 1.00E+01 1.00E+01 #alpha0_trans, alpha0_rot, alpha_stretch0, alpha_rot_stretch0
5.000E-03                        #saddle_curvgraddif
0.2E+00  0.8E+00                 #saddle_rmsdispl0, saddle_trustr
1.000E-02  5.000E-03  T          #tolc, tolf, tighten
-20.95E+00                       #saddle_minoverlap0
1.000E-02                        #saddle_maxcurvrise
1.000E-04                        #saddle_cutoffratio
5                                #saddle_recompIfCurvPos
0.05E+00  2.0                        #saddle_stepoff
15                               #mini_nhistx
2000                             #mini_ncluster_x
0.0                              #frac_fluct
1.000E-04                        #forcemax
1.000E-06                        #mini_maxrise
1.000E+00                        #mini_betax
4.000E-01                        #mini_beta_stretch_x
1.000E-04                        #mini_cutoffRatio
10                              #mini_steepthresh
0.5                              #mini_trustr

ioput001/pos001.xyz

60  angstroemd0
free
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C       1.85271124682652648E-06 -3.48007146731124362E+00  6.98936322894046835E-01  
C       2.52349579448185952E-06  3.48007602132432314E+00 -6.98915923699504504E-01  
C       2.85375489928789811E-06 -3.48007238897526960E+00 -6.98931528369335475E-01  
C       3.48007549818312478E+00  6.98914534049099423E-01  1.17576659457049721E-06  
C      -3.48007150920992103E+00  6.98936187697609568E-01  1.46898312305859490E-06  
C       3.48007602268910965E+00 -6.98916141482267661E-01  2.26351428509200096E-06  
C      -3.48007248570466210E+00 -6.98931152655864807E-01  2.44837692323778668E-06  
C       6.98916297821981058E-01  1.69429562848616922E-06  3.48007523131012642E+00  
C      -6.98917884349324336E-01  2.78594668877425062E-06  3.48007571366107538E+00  
C       6.98935945575109518E-01  1.85697477907257766E-06 -3.48007154328929680E+00  
C      -6.98930977521851848E-01  2.86651828547777290E-06 -3.48007251445263455E+00  
C       1.17475812694326387E+00  3.03183214145450286E+00  1.42524914607927711E+00  
C      -1.17476574103358367E+00  3.03183191529695151E+00  1.42524487873665251E+00  
C       1.17474076000433736E+00 -3.03183756820991501E+00  1.42525389771872590E+00  
C       1.17476276452186723E+00  3.03182946369148532E+00 -1.42525107372119342E+00  
C      -1.17476434134394303E+00 -3.03183182653075400E+00  1.42524443092404840E+00  
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C       3.03183219288744255E+00  1.42524887015724566E+00  1.17475853536590646E+00  
C      -3.03183732115472671E+00  1.42525357624588422E+00  1.17474173753444067E+00  
C       3.03182931521601606E+00 -1.42525016106575930E+00  1.17476373729383798E+00  
C       3.03183214538806078E+00  1.42524512667541980E+00 -1.17476501675527367E+00  
C      -3.03183796192975352E+00 -1.42524931853744996E+00  1.17474557474976193E+00  
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C       1.42524466335564726E+00 -1.17476511665869965E+00  3.03183232529465840E+00  
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C      -2.30558245730015576E+00  2.59984421648831665E+00 -7.26068384017117485E-01  
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C       2.30558991211099640E+00  2.59983834766532995E+00 -7.26056342965143986E-01  
C       2.30559592621865761E+00 -2.59983736385802455E+00  7.26035275993144547E-01  
C      -2.30558874152605320E+00  2.59983879193263023E+00  7.26061093438798877E-01  
C       2.30559237879616807E+00  2.59983634370439587E+00  7.26052171088275022E-01  
C      -2.59984336883382694E+00 -7.26058167636976393E-01 -2.30558264360481813E+00  
C       2.59984434864704728E+00 -7.26068097217371644E-01 -2.30558236446998466E+00  
C      -2.59983526309408530E+00  7.26057931057983219E-01 -2.30559104063795539E+00  
C      -2.59984109376108519E+00 -7.26035093211477744E-01  2.30559297362210369E+00  
C       2.59983835762185844E+00  7.26060617939655373E-01 -2.30558920245664778E+00  
C       2.59983901092382341E+00 -7.26057707081739112E-01  2.30558903208322041E+00  
C      -2.59983707999001368E+00  7.26037143549614794E-01  2.30559562681050023E+00  
C       2.59983609100527069E+00  7.26053331393962664E-01  2.30559235409265773E+00  
C      -7.26058965124212863E-01 -2.30558233881282648E+00 -2.59984346766369745E+00  
C       7.26058771618196763E-01 -2.30559074072823167E+00 -2.59983534221846746E+00  
C      -7.26033899081940048E-01  2.30559386276188638E+00 -2.59984057400119717E+00  
C      -7.26068116719986500E-01 -2.30558215415350709E+00  2.59984447119172879E+00  
C       7.26035858868820272E-01  2.30559614269462854E+00 -2.59983697479900622E+00  
C       7.26060689177758234E-01 -2.30558902458382153E+00  2.59983847860655937E+00  
C      -7.26054734783574185E-01  2.30559025556384478E+00  2.59983829706794145E+00  
C       7.26050251586700890E-01  2.30559326737238957E+00  2.59983583319493405E+00

ioput001/pos002.xyz

60 angstroemd0 
free
C       3.51680729875393538E+00  6.78112858200316193E+00  4.14271338516081933E+00  
C       3.51833821078709530E+00  1.13911033829823552E-01  4.14256728093009752E+00  
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C       3.51989354508679364E+00  1.13945935577505375E-01  2.75709199374813929E+00  
C       6.90108711093247873E+00  3.44827425820305278E+00  2.77436668439642720E+00  
C      -3.02751957987451650E-02  4.14614003404459375E+00  3.44615500582514533E+00  
C       6.89954754631283862E+00  3.44824657502728327E+00  4.13258230773074686E+00  
C      -2.99484009108945889E-02  2.74727521178598844E+00  3.44612276454299771E+00  
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C       6.47628105961925016E+00  4.64485410137225152E+00  2.03447078126930680E+00  
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C       4.20053137942329180E-01  4.87012011432287562E+00  2.27035843674988369E+00  
C       6.47685252917282739E+00  2.25156292370191835E+00  2.03438627483102241E+00  
C       4.20720325410915030E-01  2.02356078930691963E+00  2.27029876717823687E+00  
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C       1.98220739733799456E+00  4.62463306135600138E+00  6.51694887099727627E+00  
C       4.82445605685452872E+00  2.26622065234407399E+00  6.71669514904572829E+00  
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C       4.83176662602462503E+00  2.26635501971316922E+00  1.85897584899912843E-01  
C       1.98946794962510665E+00  2.26973235085275071E+00  3.79539803110854779E-01  
C       1.16985230478605406E+00  8.66254527798435592E-01  2.72212301884261842E+00  
C       5.78007883051971483E+00  1.18873031194441392E+00  2.71602248222904441E+00  
C       1.16865618572341479E+00  6.02774816316469231E+00  2.72223716491685019E+00  
C       1.16823295907521207E+00  8.66160515479496684E-01  4.17239391565832207E+00  
C       5.77901193901498633E+00  5.70735322608335860E+00  2.71612786054611366E+00  
C       5.77843957268226394E+00  1.18872577296958681E+00  4.18862679529775761E+00  
C       1.16703444214181906E+00  6.02777948382480311E+00  4.17250748502215085E+00  
C       5.77736819355411146E+00  5.70729524785779940E+00  4.18872112933375718E+00  
C       8.33771731824145657E-01  2.71952339820934075E+00  1.12931498604413405E+00  
C       6.03266195083832102E+00  2.71263942020233184E+00  7.87753785173768595E-01  
C       8.33431455314852521E-01  4.17439055116257673E+00  1.12934758117140621E+00  
C       8.28674801762709468E-01  2.71940929097085338E+00  5.76460959657334193E+00  
C       6.03231165321469831E+00  4.18367310666788850E+00  7.87802690995987986E-01  
C       6.02669184203347807E+00  2.71255997049370645E+00  6.11744828042055211E+00  
C       8.28330428721632317E-01  4.17429883062180895E+00  5.76464433423051048E+00  
C       6.02634054407761344E+00  4.18352630608847686E+00  6.11746418941935666E+00  
C       2.71909432699509379E+00  1.15943033955628105E+00  8.25151382855307536E-01  
C       4.16944954027337822E+00  1.18527450010443069E+00  7.88157411957427834E-01  
C       2.71800858503314879E+00  5.73539692589366901E+00  8.25246197663970227E-01  
C       2.71320239805028995E+00  1.15924759169529246E+00  6.07282485194245769E+00  
C       4.16838252027447531E+00  5.71019428413332708E+00  7.88256344832267142E-01  
C       4.16348736587676349E+00  1.18516787071583951E+00  6.11295472101206983E+00  
C       2.71210895380141181E+00  5.73535752521014963E+00  6.07293407757260528E+00  
C       4.16241150018394634E+00  5.71007281060506511E+00  6.11305678091794391E+00  

input.yaml

dft:
  hgrids: 0.45
  rmult: [6.00, 7.00]
  ixc: -101130
  nspin: 1 
  mpol: 0
  gnrm_cv: 1.e-5
  nrepmax: 2
  itermax: 50
  ncong: 5
  idsx: 6
  disablesym: Yes
perf:
  inguess_geopt: 1
  projrad: 8.000
  rho_commun: MIX
  psp_onfly: No
  verbosity: 1

psppar.C

spin-polarized 1       1.449       2.900  method,ncov,rcov(1)..... rprb
   6    4  20140515 zatom, zion, date (yymmdd)
  12   -101130  0 0 2002 0                 pspcod, ixc, lmax, lloc, mmax, r2well
   0.47329225351999998E+00    2 -0.52920704078756451E+01  0.84330183188833818E+00 rloc nloc c1 .. cnloc
  1                                                       nsep
  0.49410530166010636E+00  2  0.84571287772783208E+01 -0.30197709691728125E+01      s-projector
                      0.11388952721978174E+01
   0.38787384436896771E+00     0.57623401909893179E+00      rcore, qcore (nlcc)

Now run the program with mpirun -np <number of cores> -X OMP_NUM_THREADS=<number of openmp threads> <path_to_bigdft>/install/bin/mhgps &> out &

standard output

 >grep MHGPS out | grep -v genv 
   #============================================= (MHGPS) Minima Hopping Guided Path Sampling
  (MHGPS) logo:
    (MHGPS)      ___           ___           ___           ___           ___
    (MHGPS)     /\__\         /\__\         /\  \         /\  \         /\  \
    (MHGPS)    /::|  |       /:/  /        /::\  \       /::\  \       /::\  \
    (MHGPS)   /:|:|  |      /:/__/        /:/\:\  \     /:/\:\  \     /:/\ \  \
    (MHGPS)  /:/|:|__|__   /::\  \ ___   /:/  \:\  \   /::\~\:\  \   _\:\~\ \  \
    (MHGPS) /:/ |::::\__\ /:/\:\  /\__\ /:/__/_\:\__\ /:/\:\ \:\__\ /\ \:\ \ \__\
    (MHGPS) \/__/~~/:/  / \/__\:\/:/  / \:\  /\ \/__/ \/__\:\/:/  / \:\ \:\ \/__/
    (MHGPS)       /:/  /       \::/  /   \:\ \:\__\        \::/  /   \:\ \:\__\
    (MHGPS)      /:/  /        /:/  /     \:\/:/  /         \/__/     \:\/:/  /
    (MHGPS)     /:/  /        /:/  /       \::/  /                     \::/  /
    (MHGPS)     \/__/         \/__/         \/__/                       \/__/
    (MHGPS)                                                   as post-processing
    (MHGPS)
    (MHGPS)
  (MHGPS) Reference Papers:
    (MHGPS) The Journal of Chemical Physics 140, 214102 (2014)
    (MHGPS) The Journal of Chemical Physics 142, 034112 (2015)
  (MHGPS) Version Number                : bzr-rev. 1827
  (MHGPS) Timestamp of this run         : 2017-01-09 14:39:03.095
   #---------------------------------------------------------------- (MHGPS) Input Parameters
  (MHGPS) mhgps_verbosity               :  5
  (MHGPS) operation_mode                : connect
  (MHGPS) random_minmode_guess          :  Yes
  (MHGPS) nsadmax                       :  30
  (MHGPS) external minimizer            :  No
  (MHGPS) en_delta_min                  :  3.0000000000000001E-003
  (MHGPS) en_delta_sad                  :  1.0E-003
  (MHGPS) Biomolecule mode              :  No
  (MHGPS) lst_interpol_stepfrct         :  0.1
  (MHGPS) ts_guess_gammainv             :  1.0
  (MHGPS) ts_guess_perpnrmtol           :  1.0E-003
  (MHGPS) ts_guess_trust                :  0.8
  (MHGPS) ts_guess_nstepsmax            :  1
  (MHGPS) lst_dt_max                    :  5.0
  (MHGPS) lst_fmax_tol                  :  5.0000000000000001E-003
  (MHGPS) saddle_nit_trans              :  5000
  (MHGPS) saddle_nit_rot                :  5000
  (MHGPS) saddle_nhistx_trans           :  10
  (MHGPS) saddle_nhistx_rot             :  4
  (MHGPS) saddle_steepthresh_trans      :  100.0
  (MHGPS) saddle_steepthresh_rot        :  100.0
  (MHGPS) saddle_fnrmtol                :  2.9999999999999997E-004
  (MHGPS) saddle_alpha0_trans           :  1.0
  (MHGPS) saddle_alpha0_rot             :  0.1
  (MHGPS) saddle_curvgraddiff           :  5.0000000000000001E-003
  (MHGPS) saddle_rmsdispl0              :  0.2
  (MHGPS) saddle_trustr                 :  0.8
  (MHGPS) saddle_tolc                   :  1.0E-002
  (MHGPS) saddle_tolf                   :  5.0000000000000001E-003
  (MHGPS) saddle_tighten                :  Yes
  (MHGPS) saddle_maxcurvrise            :  1.0E-002
  (MHGPS) saddle_cutoffratio            :  1.0E-004
  (MHGPS) saddle_recompIfCurvPos        :  5
  (MHGPS) saddle_stepoff                :  5.0000000000000003E-002
  (MHGPS) saddle_scale_stepoff          :  2.0
  (MHGPS) mini_nhistx                   :  15
  (MHGPS) mini_ncluster_x               :  2000
  (MHGPS) mini_frac_fluct               :  0.0
  (MHGPS) mini_forcemax                 :  1.0E-004
  (MHGPS) mini_maxrise                  :  9.9999999999999995E-007
  (MHGPS) mini_betax                    :  1.0
  (MHGPS) mini_beta_stretchx            :  0.4
  (MHGPS) mini_cutoffRatio              :  1.0E-004
  (MHGPS) mini_steepthresh              :  10.0
  (MHGPS) mini_trustr                   :  0.5
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
  (MHGPS) RCOV (C)                      :  1.45
   #----------------------------------- (MHGPS) Connect ioput001/pos001 and ioput001/pos002 ....
   #(MHGPS) nsad:0; connect minima with following energies
   #(MHGPS) -388.8732510968935 and
   #(MHGPS) -388.8154428286534
 (MHGPS)ediff, fpdist  MM  5.7808268E-02  3.0530685E-02
   #----------------------------------------------------- (MHGPS) Generating TS input guess ....
   #(MHGPS) entering grow_freezstring
    (MHGPS) 001  1.040E-01 -3.889E+02  9.672E-02 -3.888E+02
    (MHGPS) 001  1.242E-01 -3.888E+02  1.161E-01 -3.888E+02
    (MHGPS) 001  1.226E-01 -3.887E+02  1.064E-01 -3.887E+02
    (MHGPS) 001  8.709E-02 -3.887E+02  7.840E-02 -3.886E+02
    (MHGPS) 001  1.170E-01 -3.886E+02  1.178E-01 -3.886E+02
  (MHGPS) No. Energy evaluations for TS guess:  20.0
   #----------------------------------------------------------- (MHGPS) Start Saddle Search ....
   #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    ndim dspl         alpha_strtch
    (MHGPS) GEOPT  0001 0000 -3.88603024243238E+02  0.00E+00  6.05E-02  1.16E-01  1.00E+00 000  0.00000E+00  4.00E-04
   #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
  (MHGPS) Finite difference spacing for curvature computation:  7.99236988491982E-03
 #  (MHGPS) CUOPT minoverlap -2.09E+01
 #  (MHGPS) CUOPT  0002 0000 -5.89663882348178E-01  0.00E+00  6.39E-01  1.12E+00  1.00E-01 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
 #  (MHGPS) CUOPT  0003 0001 -6.75774159461053E-01 -8.61E-02  3.95E-01  7.52E-01  1.00E-01 000  2.00E-04  9.94E-01  1.12112E-01  1.11588E-01
 #  (MHGPS) CUOPT  0004 0002 -7.55164667711467E-01 -7.94E-02  2.57E-01  4.51E-01  1.10E-01 001  2.00E-04  9.60E-01  2.88522E-01  2.84998E-01
 #  (MHGPS) CUOPT  0005 0003 -7.85626155146884E-01 -3.05E-02  1.53E-01  2.65E-01  1.21E-01 002  2.00E-04  9.42E-01  3.71768E-01  3.68230E-01
 #  (MHGPS) CUOPT  0006 0004 -8.05600853698798E-01 -2.00E-02  3.91E-02  8.24E-02  1.33E-01 003  2.00E-04  9.16E-01  4.67990E-01  4.62034E-01
 #  (MHGPS) CUOPT  0007 0005 -8.08375829551135E-01 -2.77E-03  8.60E-03  2.58E-02  1.46E-01 004  2.00E-04  9.09E-01  4.97605E-01  4.91616E-01
 #  (MHGPS) CUOPT  0008 0006 -8.10159793256508E-01 -1.78E-03  5.00E-03  1.35E-02  1.61E-01 004  2.00E-04  9.08E-01  5.04244E-01  4.98243E-01
 #  (MHGPS) CUOPT  0009 0007 -8.11853929122720E-01 -1.69E-03  1.90E-03  6.00E-03  1.77E-01 004  2.00E-04  9.08E-01  5.07384E-01  5.01362E-01
  (MHGPS) minmode overlap               :  0.9076289265371176
   #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
 #  (MHGPS) GEOPT  0010 0001 -3.88604982859476E+02 -1.96E-03  3.56E-02  7.42E-02  1.00E+00 000  1.16091E-01  4.00E-04
 #  (MHGPS) GEOPT  0011 0002 -3.88608214551410E+02 -3.23E-03  3.26E-02  6.75E-02  1.10E+00 001  1.97695E-01  4.00E-04
 #  (MHGPS) GEOPT  0012 0003 -3.88612030176787E+02 -3.82E-03  2.90E-02  5.45E-02  1.00E+00 002  2.89128E-01  4.00E-04
 #  (MHGPS) GEOPT  0013 0004 -3.88616615451963E+02 -4.59E-03  1.58E-02  3.37E-02  1.10E+00 003  4.79534E-01  4.00E-04
 #  (MHGPS) GEOPT  0014 0005 -3.88618830774663E+02 -2.22E-03  1.09E-02  2.43E-02  1.21E+00 004  6.15616E-01  4.00E-04
 #  (MHGPS) GEOPT  0015 0006 -3.88619659094224E+02 -8.28E-04  7.97E-03  1.92E-02  1.33E+00 004  6.96980E-01  4.00E-04
 #  (MHGPS) GEOPT  0016 0007 -3.88620414910938E+02 -7.56E-04  6.05E-03  1.64E-02  1.46E+00 005  7.83600E-01  4.00E-04
 #  (MHGPS) GEOPT  0017 0008 -3.88620956370436E+02 -5.41E-04  3.55E-03  1.26E-02  1.61E+00 006  8.67216E-01  4.00E-04
 #  (MHGPS) GEOPT  0018 0009 -3.88621205470313E+02 -2.49E-04  2.72E-03  9.52E-03  1.77E+00 006  9.05429E-01  4.00E-04
 #  (MHGPS) GEOPT  0019 0010 -3.88621470981948E+02 -2.66E-04  1.99E-03  7.95E-03  1.95E+00 007  9.58285E-01  4.00E-04
 #  (MHGPS) GEOPT  0020 0011 -3.88621680610548E+02 -2.10E-04  1.47E-03  7.02E-03  2.14E+00 008  1.01178E+00  4.00E-04
 #  (MHGPS) GEOPT  0021 0012 -3.88621764996474E+02 -8.44E-05  1.60E-03  5.61E-03  2.36E+00 008  1.03475E+00  4.00E-04
 #  (MHGPS) GEOPT  0022 0013 -3.88621866670093E+02 -1.02E-04  1.25E-03  4.40E-03  2.59E+00 009  1.07955E+00  4.00E-04
 #  (MHGPS) GEOPT  0023 0014 -3.88621892418510E+02 -2.57E-05  1.74E-03  5.72E-03  2.85E+00 008  1.09651E+00  4.00E-04
 #  (MHGPS) GEOPT  0024 0015 -3.88621926334314E+02 -3.39E-05  2.80E-03  5.34E-03  2.43E+00 009  1.11767E+00  4.00E-04
 #  (MHGPS) GEOPT  0025 0016 -3.88621930404378E+02 -4.07E-06  6.41E-03  9.35E-03  2.06E+00 009  1.13192E+00  4.00E-04
 #  (MHGPS) GEOPT  0026 0017 -3.88621957982247E+02 -2.76E-05  2.94E-03  5.09E-03  1.75E+00 009  1.14800E+00  4.00E-04
 #  (MHGPS) GEOPT  0027 0018 -3.88621971193078E+02 -1.32E-05  3.73E-04  1.54E-03  1.49E+00 010  1.15741E+00  4.00E-04
 #  (MHGPS) GEOPT  0028 0019 -3.88621975984016E+02 -4.79E-06  2.07E-04  8.90E-04  1.27E+00 010  1.16685E+00  4.00E-04
 #  (MHGPS) GEOPT  0029 0020 -3.88621977738138E+02 -1.75E-06  1.38E-04  5.91E-04  1.39E+00 010  1.17028E+00  4.00E-04
 #  (MHGPS) GEOPT  0030 0021 -3.88621979033824E+02 -1.30E-06  1.36E-04  4.64E-04  1.53E+00 010  1.17415E+00  4.00E-04
 #  (MHGPS) GEOPT  0031 0022 -3.88621979596598E+02 -5.63E-07  1.30E-04  3.83E-04  1.68E+00 010  1.17682E+00  4.00E-04
 #  (MHGPS) GEOPT  0032 0023 -3.88621979936003E+02 -3.39E-07  9.54E-05  2.75E-04  1.85E+00 010  1.17823E+00  4.00E-04
   #(MHGPS) tightening
   #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
  (MHGPS) Finite difference spacing for curvature computation:  7.41074895235074E-03
 #  (MHGPS) CUOPT minoverlap -2.00E+00
 #  (MHGPS) CUOPT  0033 0000 -3.91657363932056E-01  0.00E+00  1.19E-01  2.18E-01  1.00E-01 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
 #  (MHGPS) CUOPT  0034 0001 -3.95939890215135E-01 -4.28E-03  9.83E-02  1.75E-01  1.00E-01 000  2.00E-04  1.00E+00  2.17807E-02  2.17768E-02
 #  (MHGPS) CUOPT  0035 0002 -4.05567085496553E-01 -9.63E-03  4.19E-02  8.26E-02  1.10E-01 001  2.00E-04  9.95E-01  1.02009E-01  1.01756E-01
 #  (MHGPS) CUOPT  0036 0003 -4.06455164480166E-01 -8.88E-04  2.88E-02  5.82E-02  1.21E-01 002  2.00E-04  9.93E-01  1.19948E-01  1.18985E-01
 #  (MHGPS) CUOPT  0037 0004 -4.06448828539773E-01  6.34E-06  1.33E-02  3.36E-02  1.33E-01 003  2.00E-04  9.93E-01  1.39327E-01  1.38348E-01
 #  (MHGPS) CUOPT  0038 0005 -4.06659867542543E-01 -2.11E-04  1.23E-02  2.39E-02  1.46E-01 004  2.00E-04  9.92E-01  1.46373E-01  1.45392E-01
 #  (MHGPS) CUOPT  0039 0006 -4.06815629407799E-01 -1.56E-04  5.18E-03  1.27E-02  1.61E-01 003  2.00E-04  9.91E-01  1.62674E-01  1.61691E-01
 #  (MHGPS) CUOPT  0040 0007 -4.06690266644248E-01  1.25E-04  3.80E-03  8.50E-03  1.37E-01 004  2.00E-04  9.90E-01  1.65055E-01  1.64071E-01
 #  (MHGPS) CUOPT  0041 0008 -4.06696266163570E-01 -6.00E-06  2.90E-03  5.87E-03  1.51E-01 004  2.00E-04  9.90E-01  1.67786E-01  1.66800E-01
 #  (MHGPS) CUOPT  0042 0009 -4.06658330875865E-01  3.79E-05  2.52E-03  4.45E-03  1.66E-01 004  2.00E-04  9.90E-01  1.69254E-01  1.68269E-01
  (MHGPS) minmode overlap               :  0.9900799290028626
   #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
 #  (MHGPS) GEOPT  0043 0024 -3.88621980162401E+02 -2.26E-07  5.39E-05  1.91E-04  2.04E+00 010  1.17969E+00  4.00E-04
  (MHGPS) convergence at                :  43
   #............................................................... (MHGPS) Relax from left side
 #(MHGPS) COUNT  IT  GEOPT_METHOD  ENERGY                 DIFF       FMAX       FNRM      FRAC*FLUC FLUC      ADD. INFO
     0     0  (MHGPS) GEOPT_SQNM  -3.88623099121394E+02   0.00E+00  2.048E-02  3.02E-02  0.00E+00  6.31E-07   beta=1.00E+00 dim=000 maxd=0.0E+00 dsplr=0.00000E+00 dsplp=0.00000E+00
     1     1  (MHGPS) GEOPT_SQNM  -3.88624190533321E+02  -1.09E-03  2.861E-02  4.21E-02  0.00E+00  6.51E-07   beta=1.00E+00 dim=000 maxd=2.0E-02 dsplr=3.01937E-02 dsplp=3.01937E-02
     2     2  (MHGPS) GEOPT_SQNM  -3.88630669835486E+02  -6.48E-03  5.407E-02  7.97E-02  0.00E+00  6.93E-07   beta=1.10E+00 dim=001 maxd=7.2E-02 dsplr=1.35740E-01 dsplp=1.35740E-01
     3     3  (MHGPS) GEOPT_SQNM  -3.88653473663280E+02  -2.28E-02  8.962E-02  1.34E-01  0.00E+00  6.95E-07   beta=1.21E+00 dim=001 maxd=1.4E-01 dsplr=3.46769E-01 dsplp=3.46769E-01
     4     4  (MHGPS) GEOPT_SQNM  -3.88659732034217E+02  -6.26E-03  9.886E-02  1.48E-01  0.00E+00  8.18E-07   beta=1.33E+00 dim=002 maxd=3.5E-02 dsplr=3.99684E-01 dsplp=3.99684E-01
     5     5  (MHGPS) GEOPT_SQNM  -3.88682694617207E+02  -2.30E-02  1.330E-01  1.97E-01  0.00E+00  9.34E-07   beta=1.46E+00 dim=003 maxd=1.0E-01 dsplr=5.66510E-01 dsplp=5.66510E-01
     6     6  (MHGPS) GEOPT_SQNM  -3.88758195270777E+02  -7.55E-02  1.037E-01  1.75E-01  0.00E+00  8.83E-07   beta=1.61E+00 dim=003 maxd=2.9E-01 dsplr=1.00613E+00 dsplp=1.00613E+00
     7     7  (MHGPS) GEOPT_SQNM  -3.88815100141781E+02  -5.69E-02  6.422E-02  1.22E-01  0.00E+00  8.93E-07   beta=1.77E+00 dim=003 maxd=2.0E-01 dsplr=1.39738E+00 dsplp=1.39738E+00
     8     8  (MHGPS) GEOPT_SQNM  -3.88833092202604E+02  -1.80E-02  3.479E-02  9.05E-02  0.00E+00  1.02E-06   beta=1.95E+00 dim=004 maxd=9.8E-02 dsplr=1.58281E+00 dsplp=1.58281E+00
     9     9  (MHGPS) GEOPT_SQNM  -3.88844419369515E+02  -1.13E-02  2.282E-02  6.70E-02  0.00E+00  1.24E-06   beta=2.14E+00 dim=005 maxd=5.2E-02 dsplr=1.73367E+00 dsplp=1.73367E+00
    10    10  (MHGPS) GEOPT_SQNM  -3.88856396609277E+02  -1.20E-02  1.726E-02  5.15E-02  0.00E+00  1.81E-06   beta=2.36E+00 dim=006 maxd=7.3E-02 dsplr=1.97440E+00 dsplp=1.97440E+00
    11    11  (MHGPS) GEOPT_SQNM  -3.88860295219916E+02  -3.90E-03  1.496E-02  4.47E-02  0.00E+00  2.16E-06   beta=2.59E+00 dim=007 maxd=3.3E-02 dsplr=2.08049E+00 dsplp=2.08049E+00
    12    12  (MHGPS) GEOPT_SQNM  -3.88863398956415E+02  -3.10E-03  1.342E-02  4.15E-02  0.00E+00  2.65E-06   beta=2.85E+00 dim=008 maxd=3.6E-02 dsplr=2.18717E+00 dsplp=2.18717E+00
    13    13  (MHGPS) GEOPT_SQNM  -3.88866819361105E+02  -3.42E-03  1.503E-02  3.68E-02  0.00E+00  2.60E-06   beta=3.14E+00 dim=009 maxd=3.5E-02 dsplr=2.32851E+00 dsplp=2.32851E+00
    14    14  (MHGPS) GEOPT_SQNM  -3.88869823788113E+02  -3.00E-03  1.474E-02  3.05E-02  0.00E+00  3.40E-06   beta=3.45E+00 dim=010 maxd=4.0E-02 dsplr=2.48627E+00 dsplp=2.48627E+00
    15    15  (MHGPS) GEOPT_SQNM  -3.88871702558550E+02  -1.88E-03  1.277E-02  2.72E-02  0.00E+00  2.95E-06   beta=3.80E+00 dim=011 maxd=3.4E-02 dsplr=2.62830E+00 dsplp=2.62830E+00
    16    16  (MHGPS) GEOPT_SQNM  -3.88872485412058E+02  -7.83E-04  1.057E-02  2.82E-02  0.00E+00  2.60E-06   beta=4.18E+00 dim=012 maxd=2.5E-02 dsplr=2.72053E+00 dsplp=2.72053E+00
    17    17  (MHGPS) GEOPT_SQNM  -3.88872917436503E+02  -4.32E-04  6.146E-03  2.73E-02  0.00E+00  2.26E-06   beta=3.55E+00 dim=013 maxd=1.5E-02 dsplr=2.78050E+00 dsplp=2.78050E+00
    18    18  (MHGPS) GEOPT_SQNM  -3.88873499634977E+02  -5.82E-04  5.579E-03  2.39E-02  0.00E+00  2.25E-06   beta=3.02E+00 dim=014 maxd=1.7E-02 dsplr=2.86368E+00 dsplp=2.86368E+00
    19    19  (MHGPS) GEOPT_SQNM  -3.88873910126217E+02  -4.10E-04  4.006E-03  1.69E-02  0.00E+00  2.19E-06   beta=2.57E+00 dim=014 maxd=1.3E-02 dsplr=2.92817E+00 dsplp=2.92817E+00
    20    20  (MHGPS) GEOPT_SQNM  -3.88874200182257E+02  -2.90E-04  2.317E-03  1.04E-02  0.00E+00  2.04E-06   beta=2.18E+00 dim=015 maxd=1.5E-02 dsplr=2.99209E+00 dsplp=2.99209E+00
    21    21  (MHGPS) GEOPT_SQNM  -3.88874288811991E+02  -8.86E-05  1.459E-03  6.43E-03  0.00E+00  1.76E-06   beta=1.85E+00 dim=015 maxd=6.7E-03 dsplr=3.02183E+00 dsplp=3.02183E+00
    22    22  (MHGPS) GEOPT_SQNM  -3.88874344890949E+02  -5.61E-05  7.432E-04  3.39E-03  0.00E+00  2.18E-06   beta=1.58E+00 dim=015 maxd=5.2E-03 dsplr=3.04501E+00 dsplp=3.04501E+00
    23    23  (MHGPS) GEOPT_SQNM  -3.88874375875719E+02  -3.10E-05  6.014E-04  2.62E-03  0.00E+00  2.07E-06   beta=1.73E+00 dim=015 maxd=4.7E-03 dsplr=3.06582E+00 dsplp=3.06582E+00
    24    24  (MHGPS) GEOPT_SQNM  -3.88874390951803E+02  -1.51E-05  4.264E-04  1.91E-03  0.00E+00  2.98E-06   beta=1.91E+00 dim=015 maxd=2.2E-03 dsplr=3.07624E+00 dsplp=3.07624E+00
    25    25  (MHGPS) GEOPT_SQNM  -3.88874403675840E+02  -1.27E-05  3.005E-04  1.37E-03  0.00E+00  2.87E-06   beta=2.10E+00 dim=015 maxd=2.8E-03 dsplr=3.09016E+00 dsplp=3.09016E+00
    26    26  (MHGPS) GEOPT_SQNM  -3.88874409179954E+02  -5.50E-06  1.979E-04  8.72E-04  0.00E+00  2.51E-06   beta=2.31E+00 dim=015 maxd=1.9E-03 dsplr=3.09875E+00 dsplp=3.09875E+00
    27    27  (MHGPS) GEOPT_SQNM  -3.88874410797293E+02  -1.62E-06  1.686E-04  7.14E-04  0.00E+00  2.51E-06   beta=2.54E+00 dim=015 maxd=7.2E-04 dsplr=3.10216E+00 dsplp=3.10216E+00
    28    28  (MHGPS) GEOPT_SQNM  -3.88874411678015E+02  -8.81E-07  1.955E-04  7.62E-04  0.00E+00  2.79E-06   beta=2.79E+00 dim=015 maxd=6.2E-04 dsplr=3.10478E+00 dsplp=3.10478E+00
    29    29  (MHGPS) GEOPT_SQNM  -3.88874412382747E+02  -7.05E-07  1.157E-04  4.83E-04  0.00E+00  2.99E-06   beta=2.37E+00 dim=015 maxd=5.5E-04 dsplr=3.10713E+00 dsplp=3.10713E+00
    30    30  (MHGPS) GEOPT_SQNM  -3.88874412809769E+02  -4.27E-07  4.826E-05  2.26E-04  0.00E+00  2.89E-06   beta=2.02E+00 dim=015 maxd=4.9E-04 dsplr=3.10906E+00 dsplp=3.10906E+00
    31    31  (MHGPS) GEOPT_SQNM  -3.88874412972187E+02  -1.62E-07  4.931E-05  1.63E-04  0.00E+00  3.33E-06   beta=2.22E+00 dim=015 maxd=4.0E-04 dsplr=3.11058E+00 dsplp=3.11058E+00
    32    32  (MHGPS) GEOPT_SQNM  -3.88874413048246E+02  -7.61E-08  4.329E-05  1.28E-04  0.00E+00  3.16E-06   beta=2.44E+00 dim=015 maxd=2.0E-04 dsplr=3.11143E+00 dsplp=3.11143E+00
    33    33  (MHGPS) GEOPT_SQNM  -3.88874413096145E+02  -4.79E-08  2.146E-05  9.86E-05  0.00E+00  3.08E-06   beta=2.68E+00 dim=015 maxd=2.0E-04 dsplr=3.11204E+00 dsplp=3.11204E+00
    34    34  (MHGPS) GEOPT_SQNM  -3.88874413121513E+02  -2.54E-08  2.148E-05  9.38E-05  0.00E+00  2.75E-06   beta=2.95E+00 dim=015 maxd=9.0E-05 dsplr=3.11246E+00 dsplp=3.11246E+00
    35    35  (MHGPS) GEOPT_SQNM  -3.88874413142736E+02  -2.12E-08  2.437E-05  8.68E-05  0.00E+00  2.54E-06   beta=3.25E+00 dim=015 maxd=9.1E-05 dsplr=3.11293E+00 dsplp=3.11293E+00
 (MHGPS) SQNM converged at iteration  35. Needed energy calls:  35
 (MHGPS)ediff, fpdist  MS  2.5243298E-01  2.5065993E-02
   #.............................................................. (MHGPS) Relax from right side
 #(MHGPS) COUNT  IT  GEOPT_METHOD  ENERGY                 DIFF       FMAX       FNRM      FRAC*FLUC FLUC      ADD. INFO
     0     0  (MHGPS) GEOPT_SQNM  -3.88623101809640E+02   0.00E+00  2.036E-02  3.02E-02  0.00E+00  1.88E-06   beta=1.00E+00 dim=000 maxd=0.0E+00 dsplr=0.00000E+00 dsplp=0.00000E+00
     1     1  (MHGPS) GEOPT_SQNM  -3.88624195677355E+02  -1.09E-03  2.843E-02  4.22E-02  0.00E+00  1.64E-06   beta=1.00E+00 dim=000 maxd=2.0E-02 dsplr=3.01970E-02 dsplp=3.01970E-02
     2     2  (MHGPS) GEOPT_SQNM  -3.88630674970729E+02  -6.48E-03  5.316E-02  7.96E-02  0.00E+00  1.48E-06   beta=1.10E+00 dim=001 maxd=7.1E-02 dsplr=1.35698E-01 dsplp=1.35698E-01
     3     3  (MHGPS) GEOPT_SQNM  -3.88653085715686E+02  -2.24E-02  8.427E-02  1.30E-01  0.00E+00  1.42E-06   beta=1.21E+00 dim=001 maxd=1.4E-01 dsplr=3.46492E-01 dsplp=3.46492E-01
     4     4  (MHGPS) GEOPT_SQNM  -3.88659091276393E+02  -6.01E-03  9.002E-02  1.39E-01  0.00E+00  1.35E-06   beta=1.33E+00 dim=002 maxd=3.2E-02 dsplr=3.96233E-01 dsplp=3.96233E-01
     5     5  (MHGPS) GEOPT_SQNM  -3.88673637848392E+02  -1.45E-02  1.172E-01  1.77E-01  0.00E+00  1.35E-06   beta=1.46E+00 dim=003 maxd=7.4E-02 dsplr=5.18969E-01 dsplp=5.18969E-01
     6     6  (MHGPS) GEOPT_SQNM  -3.88735111252836E+02  -6.15E-02  1.034E-01  1.75E-01  0.00E+00  1.28E-06   beta=1.61E+00 dim=003 maxd=3.3E-01 dsplr=1.01427E+00 dsplp=1.01427E+00
     7     7  (MHGPS) GEOPT_SQNM  -3.88770964913742E+02  -3.59E-02  5.441E-02  1.03E-01  0.00E+00  1.34E-06   beta=1.77E+00 dim=003 maxd=1.3E-01 dsplr=1.28886E+00 dsplp=1.28886E+00
     8     8  (MHGPS) GEOPT_SQNM  -3.88788042234870E+02  -1.71E-02  3.373E-02  6.90E-02  0.00E+00  2.10E-06   beta=1.95E+00 dim=004 maxd=9.2E-02 dsplr=1.50834E+00 dsplp=1.50834E+00
     9     9  (MHGPS) GEOPT_SQNM  -3.88795339010858E+02  -7.30E-03  2.139E-02  5.61E-02  0.00E+00  2.60E-06   beta=2.14E+00 dim=005 maxd=5.6E-02 dsplr=1.64995E+00 dsplp=1.64995E+00
    10    10  (MHGPS) GEOPT_SQNM  -3.88800377849382E+02  -5.04E-03  1.403E-02  4.39E-02  0.00E+00  2.37E-06   beta=2.36E+00 dim=006 maxd=4.3E-02 dsplr=1.76762E+00 dsplp=1.76762E+00
    11    11  (MHGPS) GEOPT_SQNM  -3.88803627974668E+02  -3.25E-03  1.141E-02  3.74E-02  0.00E+00  2.70E-06   beta=2.59E+00 dim=007 maxd=2.7E-02 dsplr=1.85502E+00 dsplp=1.85502E+00
    12    12  (MHGPS) GEOPT_SQNM  -3.88806174624266E+02  -2.55E-03  9.467E-03  3.26E-02  0.00E+00  3.82E-06   beta=2.85E+00 dim=008 maxd=2.2E-02 dsplr=1.93402E+00 dsplp=1.93402E+00
    13    13  (MHGPS) GEOPT_SQNM  -3.88808152169221E+02  -1.98E-03  8.393E-03  2.93E-02  0.00E+00  3.60E-06   beta=3.14E+00 dim=009 maxd=1.9E-02 dsplr=2.00587E+00 dsplp=2.00587E+00
    14    14  (MHGPS) GEOPT_SQNM  -3.88809756760021E+02  -1.60E-03  8.041E-03  2.66E-02  0.00E+00  3.75E-06   beta=3.45E+00 dim=010 maxd=1.7E-02 dsplr=2.07600E+00 dsplp=2.07600E+00
    15    15  (MHGPS) GEOPT_SQNM  -3.88810933984836E+02  -1.18E-03  6.539E-03  2.46E-02  0.00E+00  4.84E-06   beta=3.80E+00 dim=011 maxd=1.4E-02 dsplr=2.13301E+00 dsplp=2.13301E+00
    16    16  (MHGPS) GEOPT_SQNM  -3.88811835654054E+02  -9.02E-04  5.797E-03  2.50E-02  0.00E+00  4.48E-06   beta=4.18E+00 dim=012 maxd=1.3E-02 dsplr=2.18789E+00 dsplp=2.18789E+00
    17    17  (MHGPS) GEOPT_SQNM  -3.88813135253690E+02  -1.30E-03  7.224E-03  2.43E-02  0.00E+00  4.53E-06   beta=4.59E+00 dim=013 maxd=2.0E-02 dsplr=2.27618E+00 dsplp=2.27618E+00
    18    18  (MHGPS) GEOPT_SQNM  -3.88814408950522E+02  -1.27E-03  6.561E-03  2.43E-02  0.00E+00  4.55E-06   beta=5.05E+00 dim=014 maxd=2.5E-02 dsplr=2.38534E+00 dsplp=2.38534E+00
    19    19  (MHGPS) GEOPT_SQNM  -3.88815450608293E+02  -1.04E-03  9.055E-03  3.37E-02  0.00E+00  4.04E-06   beta=4.30E+00 dim=015 maxd=3.7E-02 dsplr=2.54938E+00 dsplp=2.54938E+00
    20    20  (MHGPS) GEOPT_SQNM  -3.88815462518363E+02  -1.19E-05  1.155E-02  4.09E-02  0.00E+00  3.47E-06   beta=3.65E+00 dim=015 maxd=1.8E-02 dsplr=2.63957E+00 dsplp=2.63957E+00
    21    21  (MHGPS) GEOPT_SQNM  -3.88816119683051E+02  -6.57E-04  6.735E-03  2.55E-02  0.00E+00  2.93E-06   beta=3.10E+00 dim=015 maxd=1.8E-02 dsplr=2.72480E+00 dsplp=2.72480E+00
    22    22  (MHGPS) GEOPT_SQNM  -3.88816459937461E+02  -3.40E-04  3.520E-03  1.51E-02  0.00E+00  2.53E-06   beta=2.64E+00 dim=015 maxd=1.1E-02 dsplr=2.77435E+00 dsplp=2.77435E+00
    23    23  (MHGPS) GEOPT_SQNM  -3.88816559211431E+02  -9.93E-05  2.862E-03  1.14E-02  0.00E+00  2.48E-06   beta=2.24E+00 dim=015 maxd=9.4E-03 dsplr=2.82018E+00 dsplp=2.82018E+00
    24    24  (MHGPS) GEOPT_SQNM  -3.88816615161942E+02  -5.60E-05  1.845E-03  5.86E-03  0.00E+00  2.19E-06   beta=1.91E+00 dim=015 maxd=4.4E-03 dsplr=2.83758E+00 dsplp=2.83758E+00
    25    25  (MHGPS) GEOPT_SQNM  -3.88816632560583E+02  -1.74E-05  9.468E-04  2.51E-03  0.00E+00  1.97E-06   beta=1.62E+00 dim=015 maxd=2.5E-03 dsplr=2.84635E+00 dsplp=2.84635E+00
    26    26  (MHGPS) GEOPT_SQNM  -3.88816637375857E+02  -4.82E-06  4.220E-04  1.01E-03  0.00E+00  2.02E-06   beta=1.38E+00 dim=015 maxd=1.6E-03 dsplr=2.85151E+00 dsplp=2.85151E+00
    27    27  (MHGPS) GEOPT_SQNM  -3.88816639120842E+02  -1.74E-06  1.752E-04  7.62E-04  0.00E+00  3.22E-06   beta=1.17E+00 dim=015 maxd=1.2E-03 dsplr=2.85494E+00 dsplp=2.85494E+00
    28    28  (MHGPS) GEOPT_SQNM  -3.88816640476717E+02  -1.36E-06  1.417E-04  6.32E-04  0.00E+00  3.90E-06   beta=1.29E+00 dim=015 maxd=7.3E-04 dsplr=2.85789E+00 dsplp=2.85789E+00
    29    29  (MHGPS) GEOPT_SQNM  -3.88816641722457E+02  -1.25E-06  1.237E-04  5.26E-04  0.00E+00  4.87E-06   beta=1.42E+00 dim=015 maxd=9.9E-04 dsplr=2.86125E+00 dsplp=2.86125E+00
    30    30  (MHGPS) GEOPT_SQNM  -3.88816642569783E+02  -8.47E-07  9.233E-05  3.78E-04  0.00E+00  5.22E-06   beta=1.56E+00 dim=015 maxd=6.8E-04 dsplr=2.86439E+00 dsplp=2.86439E+00
    31    31  (MHGPS) GEOPT_SQNM  -3.88816643021579E+02  -4.52E-07  7.619E-05  3.23E-04  0.00E+00  4.34E-06   beta=1.71E+00 dim=015 maxd=5.1E-04 dsplr=2.86677E+00 dsplp=2.86677E+00
    32    32  (MHGPS) GEOPT_SQNM  -3.88816643317156E+02  -2.96E-07  8.002E-05  2.69E-04  0.00E+00  3.90E-06   beta=1.89E+00 dim=015 maxd=3.9E-04 dsplr=2.86841E+00 dsplp=2.86841E+00
    33    33  (MHGPS) GEOPT_SQNM  -3.88816643573518E+02  -2.56E-07  5.846E-05  2.15E-04  0.00E+00  3.58E-06   beta=2.07E+00 dim=015 maxd=4.2E-04 dsplr=2.87028E+00 dsplp=2.87028E+00
    34    34  (MHGPS) GEOPT_SQNM  -3.88816643719802E+02  -1.46E-07  4.790E-05  1.77E-04  0.00E+00  4.74E-06   beta=2.28E+00 dim=015 maxd=2.6E-04 dsplr=2.87126E+00 dsplp=2.87126E+00
    35    35  (MHGPS) GEOPT_SQNM  -3.88816643798933E+02  -7.91E-08  3.001E-05  1.32E-04  0.00E+00  5.55E-06   beta=2.51E+00 dim=015 maxd=2.9E-04 dsplr=2.87222E+00 dsplp=2.87222E+00
 (MHGPS) SQNM converged at iteration  35. Needed energy calls:  35
 (MHGPS)ediff, fpdist  MS  1.9466364E-01  1.6107541E-02
 (MHGPS)ediff, fpdist  MM  1.1620458E-03  4.6140076E-03
 (MHGPS)ediff, fpdist  MM  1.2009703E-03  4.7017571E-03
 (MHGPS)ediff, fpdist  MM  5.8970314E-02  3.0823787E-02
 (MHGPS)ediff, fpdist  MM  5.6607298E-02  3.0837625E-02
  (MHGPS)connection check not lnl and not rnr  0.146458040228174     
  (MHGPS)connection check not lnl and not rnr  0.148939142047339     
 (MHGPS) connection check connected -3.88874413142735648E+02 -3.88816643798932546E+02
  (MHGPS) Total calls to energy and forces:  137
  (MHGPS) Run finished at               : 2017-01-09 17:48:38.626

Lj38

Rearrangements of LJ38

mhgps.inp

5 F                                #mhgps_verbosity
connect  T                        #operation_mode, random_minmode_guess
30                               #nsadmax
F                               #external_minimizer
1.0E-04 2.0E-04                  #en_delta_min, fp_delta_min
1.0E-04 2.0E-04                  #en_delta_sad, fp_delta_sad
F                                #biomode
1.0E-01                          #lst_interpol_stepfrct
1.0E-03                          #ts_guess_gammainv
1.0E-03                          #ts_guess_perpnrmtol
5.6E-02                          #ts_guess_trust
1                                #ts_guess_nstepsmax
5.e-1 5.e-3                        #max. time step in fire optimizer of lst function, convergence criterion
5000 5000                        #nit_GEOPT, nit_CUOPT
25 5                            #nhistx_GEOPT, nhistx_CUOPT
100 100                          #saddle_steepthresh_trans,saddle_steepthresh_rot
1.000E-03                        #fnrm tolerence convergence criterion for saddle point
1.E-03  1.E-03 1.00E-03 1.00E-03 #alpha0_trans, alpha0_rot, alpha_stretch0, alpha_rot_stretch0
1.000E-03                        #saddle_curvgraddif
0.03E+00  0.05E+00              #saddle_rmsdispl0, saddle_trustr
5.000E+00 5.000E+00 T            #saddl_tolc, saddle_tolf, tighten
-20.90E+00                       #saddle_minoverlap0
1.000E-09                        #saddle_maxcurvrise
1.000E-04                        #saddle_cutoffratio
5                                #saddle_recompIfCurvPos
0.001E+00 2                         #saddle_stepoff
10                               #mini_nhistx
2000                             #mini_ncluster_x
5.0                              #frac_fluct
1.000E-03                        #forcemax
1.000E-06                        #mini_maxrise
1.000E-03                        #mini_betax
4.000E-01                        #mini_beta_stretch_x
1.000E-4                        #mini_cutoffRatio
100                              #mini_steepthresh
0.1                              #mini_trustr

ioput001/job_list

posacc_00001.xyz posacc_00002.xyz
posacc_00002.xyz posacc_00003.xyz

ioput001/posacc_00001.xyz

      38  atomicd0
   free
  LJ      3.41526072652444390E-02 -6.20435759141778950E-03 -1.01289390017012565E-01
  LJ      3.41153736687346346E-02 -4.74826613832647626E-03  9.78251722563871384E-01
  LJ      3.11174649951665050E-01 -8.94114514621697998E-01  4.12192877728459306E-01
  LJ     -7.25048531126427087E-01 -5.50324863428204303E-01  4.08441853263066812E-01
  LJ     -7.21910692131675136E-01  5.42406646306724194E-01  4.07405902520564078E-01
  LJ      3.19996494022954603E-01  8.79914527469436991E-01  4.08987070323949709E-01
  LJ      9.75180110536744249E-01 -1.19363328061124555E-02  3.96896004820595172E-01
  LJ     -2.63861563556202772E-01 -9.27367419717329389E-01 -5.56556335837703808E-01
  LJ     -9.33539653988613161E-01 -8.84659618171584373E-03 -5.59214988411877556E-01
  LJ     -2.72374302443831762E-01  9.12627325891861574E-01 -5.58215299808802357E-01
  LJ      8.07600358189941137E-01  5.75799201560514229E-01 -5.59788349893810544E-01
  LJ      8.23997530620803942E-01 -5.74098714009936062E-01 -5.52149473470208485E-01
  LJ      3.51779278443171556E-02 -8.04585831610733597E-03 -1.16974840158724969E+00
  LJ      3.11279971353039669E-02 -4.03501680885629769E-03  2.08511554751868111E+00
  LJ      3.21289414966289211E-01 -9.13084629032562711E-01  1.51251076006640273E+00
  LJ     -7.43315444776679879E-01 -5.62245048257529523E-01  1.50833396329206559E+00
  LJ     -7.41671660744597117E-01  5.55674761319611799E-01  1.50757790825104698E+00
  LJ      3.23215134326932385E-01  9.03332810470887315E-01  1.51098487905078915E+00
  LJ      9.85734975976095051E-01 -5.90922872913614023E-03  1.50455315891913344E+00
  LJ      1.27780132592808848E+00 -9.20518223216190812E-01  9.30261876156676326E-01
  LJ      6.06404051567098090E-01 -1.82036659015401936E+00  9.37514002760810317E-01
  LJ     -4.57351769888069082E-01 -1.47610821782770985E+00  9.35462345825638919E-01
  LJ     -1.51552194852596589E+00 -1.11939029179077609E+00  9.29742639815404393E-01
  LJ     -1.51959988598809459E+00 -2.23458588233378403E-03  9.29500311780259270E-01
  LJ     -1.51132890789928287E+00  1.11411251513308973E+00  9.28135894864893451E-01
  LJ     -4.50177858069438108E-01  1.46607136456880305E+00  9.30913856893028746E-01
  LJ      6.12247789615924853E-01  1.80840680099213746E+00  9.33574990541381156E-01
  LJ      1.27799660016306382E+00  9.07158491076056506E-01  9.33436523277538899E-01
  LJ      1.93618405871624844E+00 -4.24041483033585874E-03  9.19606172606238004E-01
  LJ      1.09689047681254115E+00 -1.50687343787128691E+00 -1.78360858733495331E-02
  LJ      1.19796465486653667E-02 -1.85117886334987314E+00 -1.16675517549191619E-02
  LJ     -1.05400888598758979E+00 -1.49104238249986354E+00 -2.05828545898562622E-02
  LJ     -1.72342992041490017E+00 -5.66779822690303914E-01 -2.10015222546358418E-02
  LJ     -1.71832914991279351E+00  5.60365701433102825E-01 -2.37436425750423598E-02
  LJ     -1.05127469330729295E+00  1.48595669711714651E+00 -2.04279522818256558E-02
  LJ      1.96473024746855011E-02  1.83392435930635256E+00 -1.84314729447246674E-02
  LJ      1.10465982334530533E+00  1.49840522905947626E+00 -1.79139282806432126E-02
  LJ      1.77566148604864904E+00  6.03589024015098397E-01 -1.66397941633579551E-02

ioput001/posacc_00002.xyz

   38  atomicd0  
free
 LJ      8.60633680263115375E-02 -5.39775820900203485E-02 -7.16517272444961023E-02
 LJ      5.11433441656875473E-02 -1.32031890865191640E-02  1.00415482239014864E+00
 LJ      3.68665985885755110E-01 -9.24616247594503782E-01  4.75611751538669303E-01
 LJ     -6.81841855514712436E-01 -5.90962756055066651E-01  4.30001144657651047E-01
 LJ     -6.97449757939960779E-01  5.00998374969424232E-01  3.92471807828034702E-01
 LJ      3.36253448255760090E-01  8.58094949272858787E-01  4.11241463975388022E-01
 LJ      1.00997749453727836E+00 -2.24123202730190513E-02  4.57168940128831525E-01
 LJ     -1.17812131642694928E+00 -1.05538303105243925E+00 -9.34653223395476740E-01
 LJ     -8.68747017769045726E-01 -7.53871100920151249E-02 -5.51023554293273543E-01
 LJ     -2.22991365851108569E-01  8.43227060299491127E-01 -5.73415887709234129E-01
 LJ      8.56685791377176931E-01  5.30547386206319582E-01 -5.32001829158885831E-01
 LJ      9.06496539258725087E-01 -6.04273016506388760E-01 -4.87897031717485052E-01
 LJ      1.01165365830081302E-01 -1.04722907132877407E-01 -1.13835944439453529E+00
 LJ      8.56248542169816239E-03  3.40402589467110120E-02  2.11073725222274344E+00
 LJ      3.35770787195112386E-01 -8.90617644241577744E-01  1.58347965917927991E+00
 LJ     -7.34180029392569433E-01 -5.61645378072864188E-01  1.53052502475049645E+00
 LJ     -7.52813309315463419E-01  5.54917717155610335E-01  1.48767764898388144E+00
 LJ      3.00288730720607633E-01  9.25889413018161300E-01  1.50949472984757871E+00
 LJ      9.81140156164582167E-01  4.11360388342992753E-02  1.56692307400540454E+00
 LJ      1.31367890497419681E+00 -8.85374668578544410E-01  1.06203139914059985E+00
 LJ      6.74006157295559571E-01 -1.80894926253078192E+00  1.03910901892195584E+00
 LJ     -4.07475213458311003E-01 -1.48972927477970840E+00  1.00199813085414258E+00
 LJ     -1.47687673578696699E+00 -1.15416599452759971E+00  9.52379534007212203E-01
 LJ     -1.50146254149527625E+00 -3.87698177464280078E-02  9.09165323512578949E-01
 LJ     -1.51433006275838933E+00  1.07703940898497796E+00  8.65837907731683121E-01
 LJ     -4.62213758972950695E-01  1.45037382149186711E+00  8.84917114796236692E-01
 LJ      5.92116428655743876E-01  1.81400872112290701E+00  9.07235426978351800E-01
 LJ      1.27473257717906074E+00  9.29335173574073359E-01  9.62188879339227365E-01
 LJ      1.95250217258057868E+00  3.84543302359499281E-02  1.01090374951030770E+00
 LJ      1.24626203403053659E+00 -1.46642303987692357E+00  1.20722440200686038E-01
 LJ     -1.67635715369570781E-01 -1.00762728378045185E+00 -4.88740114553946670E-01
 LJ     -9.79978866847630803E-01 -1.55775228145553868E+00  3.81559096565597319E-02
 LJ     -1.66795378373550052E+00 -6.39735671521544425E-01 -2.25506856566148675E-02
 LJ     -1.68535386356804584E+00  4.84315884685166897E-01 -6.69180694892022448E-02
 LJ     -1.03262151760695775E+00  1.41782487611512975E+00 -8.48045933778811267E-02
 LJ      3.02270080988197992E-02  1.78996263856549365E+00 -6.20117563862387783E-02
 LJ      1.12007788851658785E+00  1.47790286259177450E+00 -1.63799949161603890E-02
 LJ      1.80572031060339544E+00  5.95711340893271046E-01  4.04689772312481488E-02

ioput001/posacc_00003.xyz

   38  atomicd0  -1.69517453593327446E+02 (Ha)  ha_trans disabled
free
LJ      1.14617009397978240E-01 -8.66946836635684587E-02 -6.59923977766727898E-02
LJ      6.36069922603087479E-02 -2.82061853716633025E-02  1.00844865087370850E+00
LJ      3.93405901251858536E-01 -9.47808314097182580E-01  4.95097934439995779E-01
LJ     -6.57122407890128213E-01 -6.18426655008194270E-01  4.39176990362829867E-01
LJ     -6.80556961876144006E-01  4.69420935156903751E-01  3.75366623469139127E-01
LJ      3.49849776900056253E-01  8.35099408399145093E-01  4.05110649905849496E-01
LJ      1.02972366526502657E+00 -3.98161907166548826E-02  4.75620639806492607E-01
LJ     -8.29465209094485623E-01 -1.43987263620781347E-01 -5.60242673042387285E-01
LJ     -1.83806856556090814E+00 -1.84434729496625510E-01 -1.00655963701940743E+00
LJ     -2.02192627487234711E-01  7.95292567207359302E-01 -5.87976766436631992E-01
LJ      8.85945612739257204E-01  5.00045724982631223E-01 -5.22767799227378038E-01
LJ      9.44123032703364395E-01 -6.36816217852335664E-01 -4.62267027140816800E-01
LJ      1.55641748465417229E-01 -1.43485115356635357E-01 -1.13304653483344753E+00
LJ      3.54914362513851240E-03  3.62664971335292241E-02  2.11295505695241648E+00
LJ      3.42868843701000070E-01 -8.95514980171139285E-01  1.60304015153004698E+00
LJ     -7.26987857129283155E-01 -5.74267847181240132E-01  1.53467801714717567E+00
LJ     -7.52439745898713652E-01  5.41089391248274265E-01  1.46894804964001113E+00
LJ      2.96676261291978105E-01  9.21114226100624545E-01  1.50161441747224012E+00
LJ      9.83687166280183822E-01  4.18599099753417803E-02  1.58431554514666217E+00
LJ      1.32870648399559155E+00 -8.90188066153316249E-01  1.09898935651227281E+00
LJ      6.96986593169457991E-01 -1.81930863471188031E+00  1.07884367924849722E+00
LJ     -3.87505853819359980E-01 -1.51013292080454198E+00  1.01898631512702198E+00
LJ     -1.45702096531723058E+00 -1.18097433361594240E+00  9.56161309901182754E-01
LJ     -1.48981056199368345E+00 -6.58670853852736105E-02  8.91666811371552681E-01
LJ     -1.50918141292739882E+00  1.04725173105438718E+00  8.27303700896588223E-01
LJ     -4.60598325989147461E-01  1.42863087779413345E+00  8.55551863986478200E-01
LJ      5.89399698971713293E-01  1.80141352111598829E+00  8.88333426742515031E-01
LJ      1.27881320488900219E+00  9.22489980833640644E-01  9.69398145001168277E-01
LJ      1.96278486259285145E+00  3.74066985968333418E-02  1.04262536019047780E+00
LJ      1.28453076427476698E+00 -1.48494859369395327E+00  1.66103821273787144E-01
LJ     -1.36977230297167657E-01 -1.04340389148323465E+00 -4.80190122014030663E-01
LJ     -9.52318687084322435E-01 -1.58385780801670850E+00  4.17673708567046567E-02
LJ     -1.63856300546678169E+00 -6.84297494983593269E-01 -2.85148726527633782E-02
LJ     -1.65560512308739227E+00  4.38141421058112324E-01 -9.88477772695219858E-02
LJ     -1.01766697460073874E+00  1.37726044212520415E+00 -1.20986417515156222E-01
LJ      4.36019410981693389E-02  1.75312191179010646E+00 -9.12138278713878481E-02
LJ      1.13646200735691028E+00  1.45582852835371179E+00 -1.88511070954703319E-02
LJ      1.82659107225393624E+00  5.78755018427208778E-01  6.15462911357266759E-02

input.yaml

mode:
  method: lj

standard output

 >grep MHGPS out | grep -v genv
    #============================================= (MHGPS) Minima Hopping Guided Path Sampling
   (MHGPS) logo:
     (MHGPS)      ___           ___           ___           ___           ___
     (MHGPS)     /\__\         /\__\         /\  \         /\  \         /\  \
     (MHGPS)    /::|  |       /:/  /        /::\  \       /::\  \       /::\  \
     (MHGPS)   /:|:|  |      /:/__/        /:/\:\  \     /:/\:\  \     /:/\ \  \
     (MHGPS)  /:/|:|__|__   /::\  \ ___   /:/  \:\  \   /::\~\:\  \   _\:\~\ \  \
     (MHGPS) /:/ |::::\__\ /:/\:\  /\__\ /:/__/_\:\__\ /:/\:\ \:\__\ /\ \:\ \ \__\
     (MHGPS) \/__/~~/:/  / \/__\:\/:/  / \:\  /\ \/__/ \/__\:\/:/  / \:\ \:\ \/__/
     (MHGPS)       /:/  /       \::/  /   \:\ \:\__\        \::/  /   \:\ \:\__\
     (MHGPS)      /:/  /        /:/  /     \:\/:/  /         \/__/     \:\/:/  /
     (MHGPS)     /:/  /        /:/  /       \::/  /                     \::/  /
     (MHGPS)     \/__/         \/__/         \/__/                       \/__/
     (MHGPS)                                                   as post-processing
     (MHGPS)
     (MHGPS)
   (MHGPS) Reference Papers:
     (MHGPS) The Journal of Chemical Physics 140, 214102 (2014)
     (MHGPS) The Journal of Chemical Physics 142, 034112 (2015)
   (MHGPS) Version Number                : bzr-rev. 1830
   (MHGPS) Timestamp of this run         : 2017-01-20 17:40:19.228
    #---------------------------------------------------------------- (MHGPS) Input Parameters
   (MHGPS) mhgps_verbosity               :  5
   (MHGPS) operation_mode                : connect
   (MHGPS) random_minmode_guess          :  Yes
   (MHGPS) nsadmax                       :  30
   (MHGPS) external minimizer            :  No
   (MHGPS) en_delta_min                  :  1.0E-004
   (MHGPS) en_delta_sad                  :  1.0E-004
   (MHGPS) Biomolecule mode              :  No
   (MHGPS) lst_interpol_stepfrct         :  0.1
   (MHGPS) ts_guess_gammainv             :  1.0E-003
   (MHGPS) ts_guess_perpnrmtol           :  1.0E-003
   (MHGPS) ts_guess_trust                :  5.6000000000000001E-002
   (MHGPS) ts_guess_nstepsmax            :  1
   (MHGPS) lst_dt_max                    :  0.5
   (MHGPS) lst_fmax_tol                  :  5.0000000000000001E-003
   (MHGPS) saddle_nit_trans              :  5000
   (MHGPS) saddle_nit_rot                :  5000
   (MHGPS) saddle_nhistx_trans           :  25
   (MHGPS) saddle_nhistx_rot             :  5
   (MHGPS) saddle_steepthresh_trans      :  100.0
   (MHGPS) saddle_steepthresh_rot        :  100.0
   (MHGPS) saddle_fnrmtol                :  1.0E-003
   (MHGPS) saddle_alpha0_trans           :  1.0E-003
   (MHGPS) saddle_alpha0_rot             :  1.0E-003
   (MHGPS) saddle_curvgraddiff           :  1.0E-003
   (MHGPS) saddle_rmsdispl0              :  2.9999999999999999E-002
   (MHGPS) saddle_trustr                 :  5.0000000000000003E-002
   (MHGPS) saddle_tolc                   :  5.0
   (MHGPS) saddle_tolf                   :  5.0
   (MHGPS) saddle_tighten                :  Yes
   (MHGPS) saddle_maxcurvrise            :  1.0000000000000001E-009
   (MHGPS) saddle_cutoffratio            :  1.0E-004
   (MHGPS) saddle_recompIfCurvPos        :  5
   (MHGPS) saddle_stepoff                :  1.0E-003
   (MHGPS) saddle_scale_stepoff          :  2.0
   (MHGPS) mini_nhistx                   :  10
   (MHGPS) mini_ncluster_x               :  2000
   (MHGPS) mini_frac_fluct               :  5.0
   (MHGPS) mini_forcemax                 :  1.0E-003
   (MHGPS) mini_maxrise                  :  9.9999999999999995E-007
   (MHGPS) mini_betax                    :  1.0E-003
   (MHGPS) mini_beta_stretchx            :  0.4
   (MHGPS) mini_cutoffRatio              :  1.0E-004
   (MHGPS) mini_steepthresh              :  100.0
   (MHGPS) mini_trustr                   :  0.1
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
   (MHGPS) RCOV (LJ)                     :  0.5600000000000001
    #------------ (MHGPS) Connect ioput001/posacc_00001.xyz and ioput001/posacc_00002.xyz ....
    #(MHGPS) nsad:0; connect minima with following energies
    #(MHGPS) -172.8777364111725 and
    #(MHGPS) -170.8790926601544
  (MHGPS)ediff, fpdist  MM  1.9986438E+00  3.6670244E-02
    #-------------------------------------------------- (MHGPS) Generating TS input guess ....
    #(MHGPS) entering grow_freezstring
     (MHGPS) 001  1.108E+01 -1.720E+02  1.028E+01 -1.702E+02
     (MHGPS) 001  1.249E+01 -1.708E+02  1.153E+01 -1.693E+02
     (MHGPS) 001  1.236E+01 -1.697E+02  1.196E+01 -1.687E+02
     (MHGPS) 001  1.137E+01 -1.690E+02  1.124E+01 -1.684E+02
     (MHGPS) 001  9.610E+00 -1.686E+02  9.605E+00 -1.686E+02
   (MHGPS) No. Energy evaluations for TS guess:  20.0
    #-------------------------------------------------------- (MHGPS) Start Saddle Search ....
    #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    ndim dspl         alpha_strtch
     (MHGPS) GEOPT  0001 0000 -1.68539447809396E+02  0.00E+00  4.90E+00  8.95E+00  1.00E-03 000  0.00000E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.39429873862395E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0002 0000 -1.80496897128836E+01  0.00E+00  1.01E+01  2.00E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0003 0001 -1.83984190504606E+01 -3.49E-01  7.34E+00  1.54E+01  1.00E-03 000  2.00E-04  1.00E+00  2.00257E-02  2.00227E-02
  #  (MHGPS) CUOPT  0004 0002 -1.88436050919380E+01 -4.45E-01  5.03E+00  1.16E+01  1.10E-03 001  2.00E-04  9.98E-01  6.22326E-02  6.21898E-02
  #  (MHGPS) CUOPT  0005 0003 -1.90878511657755E+01 -2.44E-01  3.85E+00  9.34E+00  1.21E-03 002  2.00E-04  9.96E-01  9.80662E-02  9.80273E-02
  #  (MHGPS) CUOPT  0006 0004 -1.92276150007286E+01 -1.40E-01  3.41E+00  7.66E+00  1.33E-03 003  2.00E-04  9.93E-01  1.24271E-01  1.23769E-01
  #  (MHGPS) CUOPT  0007 0005 -1.93085247144719E+01 -8.09E-02  2.89E+00  6.29E+00  1.46E-03 003  2.00E-04  9.92E-01  1.43144E-01  1.42630E-01
  #  (MHGPS) CUOPT  0008 0006 -1.93777128589800E+01 -6.92E-02  1.56E+00  4.02E+00  1.61E-03 004  2.00E-04  9.89E-01  1.65068E-01  1.64544E-01
   (MHGPS) minmode overlap               :  0.9890684635757452
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0009 0001 -1.68612346249776E+02 -7.29E-02  4.01E+00  7.62E+00  1.00E-03 000  8.94659E-03  4.00E-04
  #  (MHGPS) GEOPT  0010 0002 -1.68801489700724E+02 -1.89E-01  2.43E+00  5.42E+00  1.10E-03 001  4.63311E-02  4.00E-04
  #  (MHGPS) GEOPT  0011 0003 -1.68855418641568E+02 -5.39E-02  2.26E+00  4.99E+00  1.21E-03 002  6.02822E-02  4.00E-04
  #  (MHGPS) GEOPT  0012 0004 -1.69034693110531E+02 -1.79E-01  2.20E+00  5.24E+00  1.33E-03 003  1.10788E-01  4.00E-04
  #  (MHGPS) GEOPT  0013 0005 -1.69121189351092E+02 -8.65E-02  2.24E+00  4.93E+00  1.46E-03 003  1.53455E-01  4.00E-04
  #  (MHGPS) GEOPT  0014 0006 -1.69271806113367E+02 -1.51E-01  2.13E+00  5.45E+00  1.61E-03 004  2.09152E-01  4.00E-04
  #  (MHGPS) GEOPT  0015 0007 -1.69353213810800E+02 -8.14E-02  2.07E+00  4.31E+00  1.77E-03 004  2.42536E-01  4.00E-04
  #  (MHGPS) GEOPT  0016 0008 -1.69440338141061E+02 -8.71E-02  1.73E+00  4.49E+00  1.95E-03 005  2.98204E-01  4.00E-04
  #  (MHGPS) GEOPT  0017 0009 -1.69486682911507E+02 -4.63E-02  1.76E+00  4.23E+00  1.66E-03 006  3.31091E-01  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.35736237502592E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0018 0000 -3.06648796929189E+00  0.00E+00  5.37E+01  8.09E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0019 0001 -8.17953511785441E+00 -5.11E+00  3.69E+01  5.22E+01  1.00E-03 000  2.00E-04  9.97E-01  8.09226E-02  8.07247E-02
  #  (MHGPS) CUOPT  0020 0002 -1.14547824597511E+01 -3.28E+00  1.81E+01  3.25E+01  1.10E-03 001  2.00E-04  9.87E-01  1.67413E-01  1.66854E-01
  #  (MHGPS) CUOPT  0021 0003 -1.30000977047309E+01 -1.55E+00  9.17E+00  2.20E+01  1.21E-03 002  2.00E-04  9.73E-01  2.41698E-01  2.40786E-01
  #  (MHGPS) CUOPT  0022 0004 -1.37950604013064E+01 -7.95E-01  7.64E+00  1.64E+01  1.33E-03 003  2.00E-04  9.62E-01  3.00447E-01  2.99462E-01
  #  (MHGPS) CUOPT  0023 0005 -1.42920760998293E+01 -4.97E-01  6.17E+00  1.40E+01  1.46E-03 004  2.00E-04  9.55E-01  3.50788E-01  3.49602E-01
  #  (MHGPS) CUOPT  0024 0006 -1.45707390617536E+01 -2.79E-01  4.71E+00  1.21E+01  1.61E-03 004  2.00E-04  9.50E-01  3.81125E-01  3.79884E-01
  #  (MHGPS) CUOPT  0025 0007 -1.48793972566971E+01 -3.09E-01  4.95E+00  9.42E+00  1.77E-03 005  2.00E-04  9.42E-01  4.25837E-01  4.24486E-01
  #  (MHGPS) CUOPT  0026 0008 -1.50631294087793E+01 -1.84E-01  3.86E+00  8.66E+00  1.95E-03 005  2.00E-04  9.33E-01  4.69217E-01  4.67757E-01
  #  (MHGPS) CUOPT  0027 0009 -1.51512698002928E+01 -8.81E-02  2.63E+00  5.45E+00  1.66E-03 005  2.00E-04  9.26E-01  4.97892E-01  4.96392E-01
  #  (MHGPS) CUOPT  0028 0010 -1.51912304644823E+01 -4.00E-02  1.08E+00  3.34E+00  1.41E-03 005  2.00E-04  9.23E-01  5.15354E-01  5.13854E-01
   (MHGPS) minmode overlap               :  0.9226628987176377
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0029 0010 -1.69537493761179E+02 -5.08E-02  1.32E+00  3.03E+00  1.82E-03 006  3.56731E-01  4.00E-04
  #  (MHGPS) GEOPT  0030 0011 -1.69592997927820E+02 -5.55E-02  1.26E+00  3.13E+00  2.00E-03 007  3.99971E-01  4.00E-04
  #  (MHGPS) GEOPT  0031 0012 -1.69622608491059E+02 -2.96E-02  8.18E-01  2.61E+00  2.20E-03 008  4.17933E-01  4.00E-04
  #  (MHGPS) GEOPT  0032 0013 -1.69646933833041E+02 -2.43E-02  8.02E-01  1.97E+00  2.43E-03 009  4.34597E-01  4.00E-04
  #  (MHGPS) GEOPT  0033 0014 -1.69673358684272E+02 -2.64E-02  7.55E-01  1.79E+00  2.67E-03 010  4.55550E-01  4.00E-04
  #  (MHGPS) GEOPT  0034 0015 -1.69695663656596E+02 -2.23E-02  8.01E-01  1.67E+00  2.93E-03 011  4.74745E-01  4.00E-04
  #  (MHGPS) GEOPT  0035 0016 -1.69721351654689E+02 -2.57E-02  5.90E-01  1.65E+00  3.23E-03 011  5.11755E-01  4.00E-04
  #  (MHGPS) GEOPT  0036 0017 -1.69735165629783E+02 -1.38E-02  7.09E-01  1.46E+00  3.55E-03 012  5.28386E-01  4.00E-04
  #  (MHGPS) GEOPT  0037 0018 -1.69744886343103E+02 -9.72E-03  4.66E-01  1.13E+00  3.91E-03 013  5.40134E-01  4.00E-04
  #  (MHGPS) GEOPT  0038 0019 -1.69754189298999E+02 -9.30E-03  3.78E-01  9.52E-01  4.30E-03 014  5.53372E-01  4.00E-04
  #  (MHGPS) GEOPT  0039 0020 -1.69761870158272E+02 -7.68E-03  3.55E-01  8.79E-01  4.73E-03 015  5.65522E-01  4.00E-04
  #  (MHGPS) GEOPT  0040 0021 -1.69768342468922E+02 -6.47E-03  3.53E-01  7.67E-01  5.20E-03 016  5.76609E-01  4.00E-04
  #  (MHGPS) GEOPT  0041 0022 -1.69773822100298E+02 -5.48E-03  3.25E-01  6.77E-01  5.72E-03 017  5.87220E-01  4.00E-04
  #  (MHGPS) GEOPT  0042 0023 -1.69778199277964E+02 -4.38E-03  2.99E-01  5.83E-01  6.29E-03 018  5.96795E-01  4.00E-04
  #  (MHGPS) GEOPT  0043 0024 -1.69781271342172E+02 -3.07E-03  2.65E-01  5.44E-01  6.92E-03 019  6.04222E-01  4.00E-04
  #  (MHGPS) GEOPT  0044 0025 -1.69783606019971E+02 -2.33E-03  2.33E-01  5.75E-01  7.61E-03 020  6.10861E-01  4.00E-04
  #  (MHGPS) GEOPT  0045 0026 -1.69785321852932E+02 -1.72E-03  2.70E-01  8.24E-01  8.37E-03 021  6.17219E-01  4.00E-04
  #  (MHGPS) GEOPT  0046 0027 -1.69786713882347E+02 -1.39E-03  3.97E-01  9.77E-01  7.12E-03 022  6.23470E-01  4.00E-04
  #  (MHGPS) GEOPT  0047 0028 -1.69790986278694E+02 -4.27E-03  2.90E-01  7.69E-01  6.05E-03 022  6.39984E-01  4.00E-04
  #  (MHGPS) GEOPT  0048 0029 -1.69793006738137E+02 -2.02E-03  2.01E-01  5.47E-01  5.14E-03 023  6.49696E-01  4.00E-04
  #  (MHGPS) GEOPT  0049 0030 -1.69793759076868E+02 -7.52E-04  1.51E-01  4.48E-01  4.37E-03 023  6.54440E-01  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.44742588762786E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0050 0000 -1.00418093639631E+01  0.00E+00  2.62E+01  5.01E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0051 0001 -1.18923683825735E+01 -1.85E+00  2.27E+01  3.29E+01  1.00E-03 000  2.00E-04  9.99E-01  5.00830E-02  5.00360E-02
  #  (MHGPS) CUOPT  0052 0002 -1.30941839544156E+01 -1.20E+00  1.94E+01  2.59E+01  1.10E-03 001  2.00E-04  9.96E-01  9.26177E-02  9.25326E-02
  #  (MHGPS) CUOPT  0053 0003 -1.46409680334110E+01 -1.55E+00  1.28E+01  2.13E+01  1.21E-03 002  2.00E-04  9.85E-01  1.79382E-01  1.78930E-01
  #  (MHGPS) CUOPT  0054 0004 -1.56384070822109E+01 -9.97E-01  7.30E+00  1.66E+01  1.33E-03 003  2.00E-04  9.71E-01  2.60777E-01  2.60370E-01
  #  (MHGPS) CUOPT  0055 0005 -1.60934579636553E+01 -4.55E-01  5.07E+00  1.23E+01  1.46E-03 004  2.00E-04  9.62E-01  3.08956E-01  3.06262E-01
  #  (MHGPS) CUOPT  0056 0006 -1.63834420716560E+01 -2.90E-01  3.77E+00  8.49E+00  1.61E-03 005  2.00E-04  9.53E-01  3.49041E-01  3.45939E-01
  #  (MHGPS) CUOPT  0057 0007 -1.65506795589142E+01 -1.67E-01  2.84E+00  6.80E+00  1.77E-03 005  2.00E-04  9.45E-01  3.83382E-01  3.80044E-01
  #  (MHGPS) CUOPT  0058 0008 -1.66507179296892E+01 -1.00E-01  2.60E+00  6.43E+00  1.95E-03 005  2.00E-04  9.39E-01  4.10998E-01  4.07617E-01
  #  (MHGPS) CUOPT  0059 0009 -1.67239018601417E+01 -7.32E-02  3.48E+00  6.49E+00  2.14E-03 005  2.00E-04  9.35E-01  4.34164E-01  4.30773E-01
  #  (MHGPS) CUOPT  0060 0010 -1.67740243606532E+01 -5.01E-02  3.81E+00  6.90E+00  2.36E-03 005  2.00E-04  9.32E-01  4.56209E-01  4.52808E-01
  #  (MHGPS) CUOPT  0061 0011 -1.68108732555984E+01 -3.68E-02  2.59E+00  4.57E+00  2.00E-03 005  2.00E-04  9.29E-01  4.75342E-01  4.71936E-01
   (MHGPS) minmode overlap               :  0.9288810424253651
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0062 0031 -1.69795570354554E+02 -1.81E-03  1.33E-01  3.59E-01  3.71E-03 023  6.67614E-01  4.00E-04
  #  (MHGPS) GEOPT  0063 0032 -1.69796349716817E+02 -7.79E-04  1.28E-01  3.12E-01  4.09E-03 024  6.74411E-01  4.00E-04
  #  (MHGPS) GEOPT  0064 0033 -1.69796932725565E+02 -5.83E-04  1.42E-01  3.15E-01  4.49E-03 023  6.79655E-01  4.00E-04
  #  (MHGPS) GEOPT  0065 0034 -1.69797417622450E+02 -4.85E-04  9.76E-02  2.37E-01  3.82E-03 023  6.83700E-01  4.00E-04
  #  (MHGPS) GEOPT  0066 0035 -1.69797979551432E+02 -5.62E-04  9.10E-02  1.98E-01  4.20E-03 023  6.89245E-01  4.00E-04
  #  (MHGPS) GEOPT  0067 0036 -1.69798521000448E+02 -5.41E-04  9.11E-02  1.92E-01  4.62E-03 023  6.94910E-01  4.00E-04
  #  (MHGPS) GEOPT  0068 0037 -1.69798961117495E+02 -4.40E-04  6.20E-02  1.72E-01  5.09E-03 023  6.99350E-01  4.00E-04
  #  (MHGPS) GEOPT  0069 0038 -1.69799302044455E+02 -3.41E-04  5.49E-02  1.60E-01  5.59E-03 024  7.03209E-01  4.00E-04
  #  (MHGPS) GEOPT  0070 0039 -1.69799583979590E+02 -2.82E-04  1.30E-01  2.18E-01  6.15E-03 024  7.06857E-01  4.00E-04
  #  (MHGPS) GEOPT  0071 0040 -1.69799785963754E+02 -2.02E-04  1.71E-01  2.96E-01  6.77E-03 025  7.10059E-01  4.00E-04
  #  (MHGPS) GEOPT  0072 0041 -1.69799952592513E+02 -1.67E-04  1.18E-01  2.21E-01  5.75E-03 025  7.12299E-01  4.00E-04
  #  (MHGPS) GEOPT  0073 0042 -1.69800302610104E+02 -3.50E-04  6.26E-02  1.61E-01  4.89E-03 025  7.18127E-01  4.00E-04
  #  (MHGPS) GEOPT  0074 0043 -1.69800491385454E+02 -1.89E-04  1.38E-01  2.35E-01  5.38E-03 025  7.21970E-01  4.00E-04
  #  (MHGPS) GEOPT  0075 0044 -1.69800653192224E+02 -1.62E-04  1.86E-01  2.92E-01  4.57E-03 025  7.25777E-01  4.00E-04
  #  (MHGPS) GEOPT  0076 0045 -1.69800870098689E+02 -2.17E-04  1.16E-01  1.98E-01  3.89E-03 025  7.29935E-01  4.00E-04
  #  (MHGPS) GEOPT  0077 0046 -1.69801027164091E+02 -1.57E-04  3.72E-02  9.09E-02  3.30E-03 025  7.32633E-01  4.00E-04
  #  (MHGPS) GEOPT  0078 0047 -1.69801213554876E+02 -1.86E-04  3.27E-02  8.65E-02  3.63E-03 025  7.36905E-01  4.00E-04
  #  (MHGPS) GEOPT  0079 0048 -1.69801404502930E+02 -1.91E-04  3.23E-02  8.46E-02  4.00E-03 024  7.41215E-01  4.00E-04
  #  (MHGPS) GEOPT  0080 0049 -1.69801585410011E+02 -1.81E-04  2.95E-02  8.54E-02  4.40E-03 023  7.45251E-01  4.00E-04
  #  (MHGPS) GEOPT  0081 0050 -1.69801764319869E+02 -1.79E-04  2.32E-02  8.10E-02  4.84E-03 023  7.49060E-01  4.00E-04
  #  (MHGPS) GEOPT  0082 0051 -1.69801958873057E+02 -1.95E-04  3.37E-02  9.11E-02  5.32E-03 022  7.53434E-01  4.00E-04
  #  (MHGPS) GEOPT  0083 0052 -1.69802151833585E+02 -1.93E-04  4.58E-02  1.24E-01  5.85E-03 022  7.57914E-01  4.00E-04
  #  (MHGPS) GEOPT  0084 0053 -1.69802362885579E+02 -2.11E-04  3.51E-02  9.63E-02  6.44E-03 022  7.62613E-01  4.00E-04
  #  (MHGPS) GEOPT  0085 0054 -1.69802601636556E+02 -2.39E-04  6.27E-02  1.40E-01  7.08E-03 021  7.68420E-01  4.00E-04
  #  (MHGPS) GEOPT  0086 0055 -1.69802852104717E+02 -2.50E-04  8.70E-02  1.80E-01  7.79E-03 021  7.74470E-01  4.00E-04
  #  (MHGPS) GEOPT  0087 0056 -1.69803070826049E+02 -2.19E-04  8.11E-02  1.64E-01  6.62E-03 021  7.79313E-01  4.00E-04
  #  (MHGPS) GEOPT  0088 0057 -1.69803242755806E+02 -1.72E-04  5.90E-02  1.29E-01  5.63E-03 021  7.82910E-01  4.00E-04
  #  (MHGPS) GEOPT  0089 0058 -1.69803395900016E+02 -1.53E-04  4.26E-02  1.20E-01  6.19E-03 020  7.86143E-01  4.00E-04
  #  (MHGPS) GEOPT  0090 0059 -1.69803576280203E+02 -1.80E-04  3.65E-02  1.02E-01  6.81E-03 020  7.89820E-01  4.00E-04
  #  (MHGPS) GEOPT  0091 0060 -1.69803759682529E+02 -1.83E-04  4.33E-02  1.20E-01  7.49E-03 020  7.93588E-01  4.00E-04
  #  (MHGPS) GEOPT  0092 0061 -1.69804013111809E+02 -2.53E-04  4.47E-02  1.41E-01  8.24E-03 020  7.98635E-01  4.00E-04
  #  (MHGPS) GEOPT  0093 0062 -1.69804363937497E+02 -3.51E-04  9.87E-02  2.16E-01  9.06E-03 020  8.05663E-01  4.00E-04
  #  (MHGPS) GEOPT  0094 0063 -1.69804870431174E+02 -5.06E-04  8.48E-02  2.01E-01  7.70E-03 020  8.14706E-01  4.00E-04
  #  (MHGPS) GEOPT  0095 0064 -1.69805278828141E+02 -4.08E-04  8.19E-02  2.29E-01  8.47E-03 020  8.21893E-01  4.00E-04
  #  (MHGPS) GEOPT  0096 0065 -1.69805677234892E+02 -3.98E-04  1.10E-01  2.61E-01  7.20E-03 020  8.28612E-01  4.00E-04
  #  (MHGPS) GEOPT  0097 0066 -1.69806134652129E+02 -4.57E-04  8.58E-02  2.17E-01  6.12E-03 020  8.35274E-01  4.00E-04
  #  (MHGPS) GEOPT  0098 0067 -1.69806584183077E+02 -4.50E-04  7.62E-02  1.49E-01  5.20E-03 020  8.41502E-01  4.00E-04
  #  (MHGPS) GEOPT  0099 0068 -1.69806997035848E+02 -4.13E-04  6.48E-02  1.62E-01  5.73E-03 020  8.47485E-01  4.00E-04
  #  (MHGPS) GEOPT  0100 0069 -1.69807499616683E+02 -5.03E-04  6.38E-02  1.67E-01  6.30E-03 020  8.54687E-01  4.00E-04
  #  (MHGPS) GEOPT  0101 0070 -1.69808054969693E+02 -5.55E-04  8.97E-02  1.94E-01  6.93E-03 020  8.62658E-01  4.00E-04
  #  (MHGPS) GEOPT  0102 0071 -1.69808655320994E+02 -6.00E-04  1.62E-01  3.08E-01  7.62E-03 020  8.72046E-01  4.00E-04
  #  (MHGPS) GEOPT  0103 0072 -1.69809303191455E+02 -6.48E-04  1.53E-01  3.23E-01  6.48E-03 020  8.81866E-01  4.00E-04
  #  (MHGPS) GEOPT  0104 0073 -1.69809519771023E+02 -2.17E-04  3.03E-01  5.40E-01  5.51E-03 020  8.86995E-01  4.00E-04
  #  (MHGPS) GEOPT  0105 0074 -1.69809749125227E+02 -2.29E-04  3.87E-01  6.07E-01  4.68E-03 021  8.91888E-01  4.00E-04
  #  (MHGPS) GEOPT  0106 0075 -1.69810032086710E+02 -2.83E-04  2.87E-01  4.95E-01  3.98E-03 022  8.96196E-01  4.00E-04
  #  (MHGPS) GEOPT  0107 0076 -1.69810369100109E+02 -3.37E-04  1.22E-01  2.65E-01  3.38E-03 023  9.00033E-01  4.00E-04
  #  (MHGPS) GEOPT  0108 0077 -1.69810631544923E+02 -2.62E-04  8.57E-02  1.48E-01  2.87E-03 023  9.04629E-01  4.00E-04
  #  (MHGPS) GEOPT  0109 0078 -1.69810836237517E+02 -2.05E-04  6.97E-02  1.29E-01  3.16E-03 023  9.08394E-01  4.00E-04
  #  (MHGPS) GEOPT  0110 0079 -1.69811012202106E+02 -1.76E-04  7.36E-02  1.30E-01  3.48E-03 022  9.11755E-01  4.00E-04
  #  (MHGPS) GEOPT  0111 0080 -1.69811148968610E+02 -1.37E-04  6.27E-02  1.21E-01  3.83E-03 021  9.14056E-01  4.00E-04
  #  (MHGPS) GEOPT  0112 0081 -1.69811337072529E+02 -1.88E-04  5.38E-02  1.20E-01  4.21E-03 021  9.16655E-01  4.00E-04
  #  (MHGPS) GEOPT  0113 0082 -1.69811642777056E+02 -3.06E-04  6.22E-02  1.33E-01  4.63E-03 021  9.20691E-01  4.00E-04
  #  (MHGPS) GEOPT  0114 0083 -1.69811903991168E+02 -2.61E-04  4.11E-02  1.15E-01  5.09E-03 020  9.24333E-01  4.00E-04
  #  (MHGPS) GEOPT  0115 0084 -1.69812148398738E+02 -2.44E-04  3.75E-02  1.09E-01  5.60E-03 020  9.27481E-01  4.00E-04
  #  (MHGPS) GEOPT  0116 0085 -1.69812603247172E+02 -4.55E-04  5.17E-02  1.32E-01  6.16E-03 021  9.33429E-01  4.00E-04
  #  (MHGPS) GEOPT  0117 0086 -1.69813389327473E+02 -7.86E-04  8.68E-02  2.16E-01  6.78E-03 020  9.44755E-01  4.00E-04
  #  (MHGPS) GEOPT  0118 0087 -1.69813656989075E+02 -2.68E-04  1.92E-01  4.14E-01  7.45E-03 020  9.49449E-01  4.00E-04
  #  (MHGPS) GEOPT  0119 0088 -1.69814567583330E+02 -9.11E-04  1.90E-01  4.42E-01  6.34E-03 021  9.60505E-01  4.00E-04
  #  (MHGPS) GEOPT  0120 0089 -1.69815705807698E+02 -1.14E-03  1.16E-01  3.18E-01  5.39E-03 021  9.72153E-01  4.00E-04
  #  (MHGPS) GEOPT  0121 0090 -1.69816538224342E+02 -8.32E-04  8.78E-02  2.60E-01  5.92E-03 021  9.79971E-01  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.65077982477676E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0122 0000  6.08274652391737E-01  0.00E+00  3.25E+01  5.75E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0123 0001 -1.84644686690990E+00 -2.45E+00  2.00E+01  3.49E+01  1.00E-03 000  2.00E-04  9.98E-01  5.74633E-02  5.73923E-02
  #  (MHGPS) CUOPT  0124 0002 -3.24369649401348E+00 -1.40E+00  1.33E+01  2.65E+01  1.10E-03 001  2.00E-04  9.95E-01  1.07120E-01  1.06983E-01
  #  (MHGPS) CUOPT  0125 0003 -4.62239317094932E+00 -1.38E+00  9.61E+00  2.22E+01  1.21E-03 002  2.00E-04  9.86E-01  1.79998E-01  1.79685E-01
  #  (MHGPS) CUOPT  0126 0004 -5.68696866332052E+00 -1.06E+00  8.03E+00  2.03E+01  1.33E-03 003  2.00E-04  9.74E-01  2.52684E-01  2.52261E-01
  #  (MHGPS) CUOPT  0127 0005 -6.33549194752412E+00 -6.49E-01  7.92E+00  1.75E+01  1.46E-03 003  2.00E-04  9.64E-01  3.03377E-01  3.02780E-01
  #  (MHGPS) CUOPT  0128 0006 -7.04115126075488E+00 -7.06E-01  6.05E+00  1.32E+01  1.61E-03 004  2.00E-04  9.47E-01  3.72445E-01  3.71514E-01
  #  (MHGPS) CUOPT  0129 0007 -7.65129011237803E+00 -6.10E-01  4.57E+00  1.05E+01  1.77E-03 005  2.00E-04  9.24E-01  4.54057E-01  4.52828E-01
  #  (MHGPS) CUOPT  0130 0008 -8.00548486132668E+00 -3.54E-01  3.22E+00  8.94E+00  1.95E-03 005  2.00E-04  9.05E-01  5.17168E-01  5.15774E-01
  #  (MHGPS) CUOPT  0131 0009 -8.21082268839502E+00 -2.05E-01  2.64E+00  6.95E+00  2.14E-03 005  2.00E-04  8.94E-01  5.57853E-01  5.56436E-01
  #  (MHGPS) CUOPT  0132 0010 -8.34276612708134E+00 -1.32E-01  2.01E+00  5.65E+00  2.36E-03 005  2.00E-04  8.84E-01  5.94199E-01  5.92702E-01
  #  (MHGPS) CUOPT  0133 0011 -8.41973929505176E+00 -7.70E-02  1.70E+00  4.58E+00  2.59E-03 005  2.00E-04  8.75E-01  6.23786E-01  6.22247E-01
   (MHGPS) minmode overlap               :  0.8745765472916079
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0134 0091 -1.69817731919347E+02 -1.19E-03  1.13E-01  3.03E-01  6.52E-03 021  9.90635E-01  4.00E-04
  #  (MHGPS) GEOPT  0135 0092 -1.69818970759093E+02 -1.24E-03  1.96E-01  4.00E-01  7.17E-03 022  1.00110E+00  4.00E-04
  #  (MHGPS) GEOPT  0136 0093 -1.69821067620806E+02 -2.10E-03  1.67E-01  4.10E-01  7.89E-03 022  1.01490E+00  4.00E-04
  #  (MHGPS) GEOPT  0137 0094 -1.69823307534361E+02 -2.24E-03  2.14E-01  5.54E-01  8.67E-03 021  1.02750E+00  4.00E-04
  #  (MHGPS) GEOPT  0138 0095 -1.69825054556450E+02 -1.75E-03  4.54E-01  1.04E+00  9.54E-03 022  1.03870E+00  4.00E-04
  #  (MHGPS) GEOPT  0139 0096 -1.69828172138432E+02 -3.12E-03  5.52E-01  1.09E+00  8.11E-03 023  1.05165E+00  4.00E-04
  #  (MHGPS) GEOPT  0140 0097 -1.69833225446789E+02 -5.05E-03  4.33E-01  1.09E+00  6.89E-03 023  1.06843E+00  4.00E-04
  #  (MHGPS) GEOPT  0141 0098 -1.69841687040513E+02 -8.46E-03  3.66E-01  1.02E+00  5.86E-03 023  1.09066E+00  4.00E-04
  #  (MHGPS) GEOPT  0142 0099 -1.69854014385870E+02 -1.23E-02  4.86E-01  9.24E-01  6.45E-03 023  1.11669E+00  4.00E-04
  #  (MHGPS) GEOPT  0143 0100 -1.69867814558563E+02 -1.38E-02  5.04E-01  1.01E+00  7.09E-03 023  1.14084E+00  4.00E-04
  #  (MHGPS) GEOPT  0144 0101 -1.69881293979490E+02 -1.35E-02  6.13E-01  1.42E+00  7.80E-03 023  1.16343E+00  4.00E-04
  #  (MHGPS) GEOPT  0145 0102 -1.69892934233604E+02 -1.16E-02  6.84E-01  1.68E+00  8.58E-03 023  1.18275E+00  4.00E-04
  #  (MHGPS) GEOPT  0146 0103 -1.69908172679841E+02 -1.52E-02  1.33E+00  2.70E+00  7.29E-03 023  1.21034E+00  4.00E-04
  #  (MHGPS) GEOPT  0147 0104 -1.69920953975937E+02 -1.28E-02  3.01E+00  4.70E+00  6.20E-03 023  1.23817E+00  4.00E-04
  #  (MHGPS) GEOPT  0148 0105 -1.69934342670700E+02 -1.34E-02  3.12E+00  6.06E+00  5.27E-03 023  1.27297E+00  4.00E-04
  #  (MHGPS) GEOPT  0149 0106 -1.69969241075180E+02 -3.49E-02  1.73E+00  4.07E+00  4.48E-03 023  1.30164E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.58408009253297E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0150 0000  5.63624989023923E-01  0.00E+00  3.52E+01  5.70E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0151 0001 -1.62782208869096E+00 -2.19E+00  1.54E+01  2.92E+01  1.00E-03 000  2.00E-04  9.98E-01  5.70066E-02  5.69373E-02
  #  (MHGPS) CUOPT  0152 0002 -2.49056215567934E+00 -8.63E-01  1.22E+01  2.17E+01  1.10E-03 001  2.00E-04  9.96E-01  9.22544E-02  9.21640E-02
  #  (MHGPS) CUOPT  0153 0003 -3.38778472324075E+00 -8.97E-01  7.60E+00  1.72E+01  1.21E-03 002  2.00E-04  9.90E-01  1.51068E-01  1.50871E-01
  #  (MHGPS) CUOPT  0154 0004 -4.01536371077487E+00 -6.28E-01  5.93E+00  1.48E+01  1.33E-03 003  2.00E-04  9.83E-01  2.06472E-01  2.06271E-01
  #  (MHGPS) CUOPT  0155 0005 -4.46288301561351E+00 -4.48E-01  5.77E+00  1.32E+01  1.46E-03 004  2.00E-04  9.74E-01  2.65432E-01  2.64447E-01
  #  (MHGPS) CUOPT  0156 0006 -4.64443381153317E+00 -1.82E-01  5.89E+00  1.20E+01  1.61E-03 004  2.00E-04  9.69E-01  2.96559E-01  2.95512E-01
  #  (MHGPS) CUOPT  0157 0007 -4.81371290445349E+00 -1.69E-01  2.74E+00  6.47E+00  1.37E-03 005  2.00E-04  9.63E-01  3.28737E-01  3.27622E-01
  #  (MHGPS) CUOPT  0158 0008 -4.94169992923865E+00 -1.28E-01  2.08E+00  5.31E+00  1.51E-03 005  2.00E-04  9.56E-01  3.63190E-01  3.62066E-01
  #  (MHGPS) CUOPT  0159 0009 -5.01343641250648E+00 -7.17E-02  1.69E+00  4.26E+00  1.66E-03 005  2.00E-04  9.51E-01  3.90622E-01  3.89456E-01
   (MHGPS) minmode overlap               :  0.951010886812679
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0160 0107 -1.69990601609542E+02 -2.14E-02  1.08E+00  2.69E+00  3.81E-03 023  1.32134E+00  4.00E-04
  #  (MHGPS) GEOPT  0161 0108 -1.70012907291399E+02 -2.23E-02  7.31E-01  1.89E+00  3.24E-03 024  1.34517E+00  4.00E-04
  #  (MHGPS) GEOPT  0162 0109 -1.70032232606097E+02 -1.93E-02  6.11E-01  1.48E+00  2.75E-03 024  1.36603E+00  4.00E-04
  #  (MHGPS) GEOPT  0163 0110 -1.70069690705974E+02 -3.75E-02  8.93E-01  1.97E+00  3.03E-03 023  1.40339E+00  4.00E-04
  #  (MHGPS) GEOPT  0164 0111 -1.70099548074473E+02 -2.99E-02  8.76E-01  1.97E+00  3.33E-03 022  1.43729E+00  4.00E-04
  #  (MHGPS) GEOPT  0165 0112 -1.70128880990611E+02 -2.93E-02  6.83E-01  1.73E+00  3.66E-03 023  1.46210E+00  4.00E-04
  #  (MHGPS) GEOPT  0166 0113 -1.70154801817202E+02 -2.59E-02  7.06E-01  1.63E+00  4.03E-03 023  1.48270E+00  4.00E-04
  #  (MHGPS) GEOPT  0167 0114 -1.70176721621817E+02 -2.19E-02  7.08E-01  1.59E+00  4.43E-03 023  1.49788E+00  4.00E-04
  #  (MHGPS) GEOPT  0168 0115 -1.70222776577124E+02 -4.61E-02  9.26E-01  2.16E+00  4.87E-03 023  1.53511E+00  4.00E-04
  #  (MHGPS) GEOPT  0169 0116 -1.70311337984394E+02 -8.86E-02  9.97E-01  2.08E+00  5.36E-03 023  1.59920E+00  4.00E-04
  #  (MHGPS) GEOPT  0170 0117 -1.70374802368863E+02 -6.35E-02  1.34E+00  2.82E+00  5.90E-03 023  1.65809E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.72322410789342E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0171 0000  1.05211284845363E+01  0.00E+00  4.14E+01  7.24E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0172 0001  6.87515798357486E+00 -3.65E+00  1.91E+01  3.77E+01  1.00E-03 000  2.00E-04  9.97E-01  7.23717E-02  7.22301E-02
  #  (MHGPS) CUOPT  0173 0002  5.37692095525806E+00 -1.50E+00  1.41E+01  2.89E+01  1.10E-03 001  2.00E-04  9.93E-01  1.20813E-01  1.20612E-01
  #  (MHGPS) CUOPT  0174 0003  3.71927658939043E+00 -1.66E+00  1.41E+01  2.72E+01  1.21E-03 002  2.00E-04  9.84E-01  1.96375E-01  1.95999E-01
  #  (MHGPS) CUOPT  0175 0004  1.30442683158151E+00 -2.41E+00  1.20E+01  2.75E+01  1.33E-03 003  2.00E-04  9.61E-01  3.21591E-01  3.20934E-01
  #  (MHGPS) CUOPT  0176 0005 -2.36192886530183E-01 -1.54E+00  1.09E+01  2.11E+01  1.46E-03 003  2.00E-04  9.36E-01  4.10220E-01  4.08667E-01
  #  (MHGPS) CUOPT  0177 0006 -1.87558780015667E+00 -1.64E+00  7.94E+00  1.81E+01  1.61E-03 004  2.00E-04  8.87E-01  5.46699E-01  5.42356E-01
  #  (MHGPS) CUOPT  0178 0007 -2.90432768912223E+00 -1.03E+00  6.76E+00  1.57E+01  1.77E-03 005  2.00E-04  8.39E-01  6.54269E-01  6.48583E-01
  #  (MHGPS) CUOPT  0179 0008 -3.72279300971804E+00 -8.18E-01  5.92E+00  1.36E+01  1.95E-03 005  2.00E-04  8.04E-01  7.38296E-01  7.32616E-01
  #  (MHGPS) CUOPT  0180 0009 -4.40136521344401E+00 -6.79E-01  4.15E+00  1.23E+01  2.14E-03 005  2.00E-04  7.70E-01  8.23537E-01  8.16570E-01
  #  (MHGPS) CUOPT  0181 0010 -4.79165218347052E+00 -3.90E-01  3.67E+00  1.09E+01  2.36E-03 005  2.00E-04  7.46E-01  8.81491E-01  8.74173E-01
  #  (MHGPS) CUOPT  0182 0011 -5.14690592689496E+00 -3.55E-01  3.77E+00  9.44E+00  2.59E-03 005  2.00E-04  7.19E-01  9.49497E-01  9.41714E-01
  #  (MHGPS) CUOPT  0183 0012 -5.34568815137266E+00 -1.99E-01  5.15E+00  1.02E+01  2.85E-03 005  2.00E-04  7.02E-01  9.98941E-01  9.91045E-01
  #  (MHGPS) CUOPT  0184 0013 -5.46161187959636E+00 -1.16E-01  6.13E+00  1.06E+01  2.43E-03 005  2.00E-04  6.88E-01  1.03878E+00  1.03079E+00
  #  (MHGPS) CUOPT  0185 0014 -5.54485743254064E+00 -8.32E-02  4.03E+00  8.52E+00  2.06E-03 005  2.00E-04  6.81E-01  1.06813E+00  1.06013E+00
  #  (MHGPS) CUOPT  0186 0015 -5.59539894524192E+00 -5.05E-02  4.07E+00  7.17E+00  1.75E-03 005  2.00E-04  6.75E-01  1.09116E+00  1.08316E+00
  #  (MHGPS) CUOPT  0187 0016 -5.63292146958574E+00 -3.75E-02  1.61E+00  4.29E+00  1.49E-03 005  2.00E-04  6.71E-01  1.10808E+00  1.10008E+00
   (MHGPS) minmode overlap               :  0.6713288049311773
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0188 0118 -1.70358749849092E+02  1.61E-02  2.30E+00  4.91E+00  6.48E-03 023  1.71257E+00  4.00E-04
  #  (MHGPS) GEOPT  0189 0119 -1.70293664530878E+02  6.51E-02  5.79E+00  1.04E+01  5.51E-03 024  1.75140E+00  4.00E-04
  #  (MHGPS) GEOPT  0190 0120 -1.70363665332291E+02 -7.00E-02  3.17E+00  5.11E+00  4.69E-03 024  1.78293E+00  4.00E-04
  #  (MHGPS) GEOPT  0191 0121 -1.70389243544051E+02 -2.56E-02  9.67E-01  2.92E+00  3.98E-03 024  1.80713E+00  4.00E-04
  #  (MHGPS) GEOPT  0192 0122 -1.70406309840873E+02 -1.71E-02  7.46E-01  1.93E+00  3.39E-03 025  1.82411E+00  4.00E-04
  #  (MHGPS) GEOPT  0193 0123 -1.70433781814590E+02 -2.75E-02  5.95E-01  1.53E+00  3.72E-03 025  1.85010E+00  4.00E-04
  #  (MHGPS) GEOPT  0194 0124 -1.70462389062465E+02 -2.86E-02  5.92E-01  1.39E+00  4.10E-03 025  1.87516E+00  4.00E-04
  #  (MHGPS) GEOPT  0195 0125 -1.70491439165950E+02 -2.91E-02  6.85E-01  1.44E+00  4.51E-03 025  1.90136E+00  4.00E-04
  #  (MHGPS) GEOPT  0196 0126 -1.70521972821998E+02 -3.05E-02  7.71E-01  1.62E+00  4.96E-03 025  1.92774E+00  4.00E-04
  #  (MHGPS) GEOPT  0197 0127 -1.70563914781595E+02 -4.19E-02  8.08E-01  1.82E+00  5.45E-03 024  1.96200E+00  4.00E-04
  #  (MHGPS) GEOPT  0198 0128 -1.70620722874729E+02 -5.68E-02  1.06E+00  2.21E+00  6.00E-03 024  2.00925E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.95048081660324E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0199 0000 -2.04442062449011E+00  0.00E+00  2.04E+01  4.69E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0200 0001 -3.65272508673917E+00 -1.61E+00  1.53E+01  2.71E+01  1.00E-03 000  2.00E-04  9.99E-01  4.68868E-02  4.68482E-02
  #  (MHGPS) CUOPT  0201 0002 -4.45676081374323E+00 -8.04E-01  1.08E+01  1.90E+01  1.10E-03 001  2.00E-04  9.97E-01  8.50977E-02  8.50287E-02
  #  (MHGPS) CUOPT  0202 0003 -5.05695455246424E+00 -6.00E-01  6.15E+00  1.52E+01  1.21E-03 002  2.00E-04  9.93E-01  1.28070E-01  1.27957E-01
  #  (MHGPS) CUOPT  0203 0004 -5.57945880952913E+00 -5.23E-01  4.67E+00  1.24E+01  1.33E-03 003  2.00E-04  9.87E-01  1.81451E-01  1.81289E-01
  #  (MHGPS) CUOPT  0204 0005 -5.88456938811132E+00 -3.05E-01  3.55E+00  1.03E+01  1.46E-03 004  2.00E-04  9.80E-01  2.26566E-01  2.26330E-01
  #  (MHGPS) CUOPT  0205 0006 -6.02497283721976E+00 -1.40E-01  3.91E+00  9.60E+00  1.61E-03 004  2.00E-04  9.77E-01  2.51165E-01  2.50895E-01
  #  (MHGPS) CUOPT  0206 0007 -6.17010247133881E+00 -1.45E-01  3.09E+00  6.53E+00  1.77E-03 005  2.00E-04  9.72E-01  2.81928E-01  2.81617E-01
  #  (MHGPS) CUOPT  0207 0008 -6.26914849872718E+00 -9.90E-02  1.67E+00  4.19E+00  1.95E-03 005  2.00E-04  9.67E-01  3.11044E-01  3.10708E-01
   (MHGPS) minmode overlap               :  0.9671831459902648
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0208 0129 -1.70663014842896E+02 -4.23E-02  1.10E+00  2.82E+00  6.60E-03 024  2.04191E+00  4.00E-04
  #  (MHGPS) GEOPT  0209 0130 -1.70700679841328E+02 -3.77E-02  2.20E+00  4.58E+00  7.26E-03 024  2.07852E+00  4.00E-04
  #  (MHGPS) GEOPT  0210 0131 -1.70740667113164E+02 -4.00E-02  1.53E+00  3.83E+00  6.17E-03 024  2.10761E+00  4.00E-04
  #  (MHGPS) GEOPT  0211 0132 -1.70805371955952E+02 -6.47E-02  1.25E+00  3.42E+00  5.24E-03 024  2.15629E+00  4.00E-04
  #  (MHGPS) GEOPT  0212 0133 -1.70863128633956E+02 -5.78E-02  8.46E-01  2.42E+00  4.46E-03 024  2.19534E+00  4.00E-04
  #  (MHGPS) GEOPT  0213 0134 -1.70908454007818E+02 -4.53E-02  1.27E+00  2.88E+00  4.90E-03 024  2.23382E+00  4.00E-04
  #  (MHGPS) GEOPT  0214 0135 -1.70934289261950E+02 -2.58E-02  1.91E+00  3.59E+00  5.39E-03 025  2.26219E+00  4.00E-04
  #  (MHGPS) GEOPT  0215 0136 -1.70966038068986E+02 -3.17E-02  1.30E+00  2.73E+00  4.58E-03 025  2.29824E+00  4.00E-04
  #  (MHGPS) GEOPT  0216 0137 -1.70980915824482E+02 -1.49E-02  5.51E-01  1.43E+00  3.90E-03 025  2.31685E+00  4.00E-04
  #  (MHGPS) GEOPT  0217 0138 -1.70986922503100E+02 -6.01E-03  4.35E-01  8.40E-01  3.31E-03 025  2.32895E+00  4.00E-04
  #  (MHGPS) GEOPT  0218 0139 -1.70990409571075E+02 -3.49E-03  3.47E-01  6.50E-01  3.64E-03 025  2.33848E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  2.01487002877176E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0219 0000 -3.66228203900074E+00  0.00E+00  2.02E+01  3.77E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0220 0001 -4.68140390199839E+00 -1.02E+00  8.62E+00  1.98E+01  1.00E-03 000  2.00E-04  9.99E-01  3.76617E-02  3.76417E-02
  #  (MHGPS) CUOPT  0221 0002 -5.09560102183892E+00 -4.14E-01  5.04E+00  1.29E+01  1.10E-03 001  2.00E-04  9.98E-01  6.62767E-02  6.62434E-02
  #  (MHGPS) CUOPT  0222 0003 -5.35290323351065E+00 -2.57E-01  4.13E+00  1.01E+01  1.21E-03 002  2.00E-04  9.96E-01  9.31872E-02  9.31465E-02
  #  (MHGPS) CUOPT  0223 0004 -5.56841341872163E+00 -2.16E-01  2.47E+00  7.68E+00  1.33E-03 003  2.00E-04  9.94E-01  1.26906E-01  1.26843E-01
  #  (MHGPS) CUOPT  0224 0005 -5.67202720977175E+00 -1.04E-01  2.47E+00  5.95E+00  1.46E-03 004  2.00E-04  9.91E-01  1.51799E-01  1.51722E-01
  #  (MHGPS) CUOPT  0225 0006 -5.72226578131673E+00 -5.02E-02  2.19E+00  5.39E+00  1.61E-03 004  2.00E-04  9.90E-01  1.65639E-01  1.65554E-01
  #  (MHGPS) CUOPT  0226 0007 -5.77221591390129E+00 -5.00E-02  1.32E+00  3.63E+00  1.77E-03 005  2.00E-04  9.89E-01  1.83482E-01  1.83391E-01
   (MHGPS) minmode overlap               :  0.9885270346689989
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0227 0140 -1.70992630389193E+02 -2.22E-03  3.11E-01  5.41E-01  4.01E-03 025  2.34660E+00  4.00E-04
  #  (MHGPS) GEOPT  0228 0141 -1.70994290255919E+02 -1.66E-03  2.90E-01  4.73E-01  4.41E-03 025  2.35302E+00  4.00E-04
  #  (MHGPS) GEOPT  0229 0142 -1.70995497810578E+02 -1.21E-03  2.13E-01  4.18E-01  4.85E-03 025  2.35845E+00  4.00E-04
  #  (MHGPS) GEOPT  0230 0143 -1.70996439761218E+02 -9.42E-04  2.05E-01  3.59E-01  5.33E-03 025  2.36284E+00  4.00E-04
  #  (MHGPS) GEOPT  0231 0144 -1.70997143524323E+02 -7.04E-04  1.67E-01  3.40E-01  5.87E-03 025  2.36664E+00  4.00E-04
  #  (MHGPS) GEOPT  0232 0145 -1.70997629047683E+02 -4.86E-04  1.37E-01  3.08E-01  6.45E-03 025  2.36989E+00  4.00E-04
  #  (MHGPS) GEOPT  0233 0146 -1.70998019530737E+02 -3.90E-04  1.26E-01  3.15E-01  7.10E-03 025  2.37293E+00  4.00E-04
  #  (MHGPS) GEOPT  0234 0147 -1.70998262155652E+02 -2.43E-04  2.01E-01  4.48E-01  7.81E-03 025  2.37593E+00  4.00E-04
  #  (MHGPS) GEOPT  0235 0148 -1.70998514983014E+02 -2.53E-04  1.59E-01  3.96E-01  6.64E-03 025  2.37877E+00  4.00E-04
  #  (MHGPS) GEOPT  0236 0149 -1.70998798289333E+02 -2.83E-04  8.46E-02  2.33E-01  5.64E-03 025  2.38139E+00  4.00E-04
  #  (MHGPS) GEOPT  0237 0150 -1.70998932289947E+02 -1.34E-04  9.86E-02  2.49E-01  4.80E-03 025  2.38347E+00  4.00E-04
  #  (MHGPS) GEOPT  0238 0151 -1.70999072174550E+02 -1.40E-04  7.38E-02  1.87E-01  4.08E-03 025  2.38527E+00  4.00E-04
  #  (MHGPS) GEOPT  0239 0152 -1.70999168590970E+02 -9.64E-05  7.58E-02  1.72E-01  3.46E-03 025  2.38681E+00  4.00E-04
  #  (MHGPS) GEOPT  0240 0153 -1.70999240534128E+02 -7.19E-05  7.28E-02  1.49E-01  3.81E-03 025  2.38829E+00  4.00E-04
  #  (MHGPS) GEOPT  0241 0154 -1.70999295936696E+02 -5.54E-05  3.79E-02  1.09E-01  4.19E-03 025  2.38991E+00  4.00E-04
  #  (MHGPS) GEOPT  0242 0155 -1.70999332788934E+02 -3.69E-05  3.42E-02  9.77E-02  4.61E-03 025  2.39125E+00  4.00E-04
  #  (MHGPS) GEOPT  0243 0156 -1.70999362951141E+02 -3.02E-05  3.08E-02  9.36E-02  5.07E-03 025  2.39292E+00  4.00E-04
  #  (MHGPS) GEOPT  0244 0157 -1.70999384499814E+02 -2.15E-05  2.59E-02  8.96E-02  5.58E-03 025  2.39427E+00  4.00E-04
  #  (MHGPS) GEOPT  0245 0158 -1.70999402036335E+02 -1.75E-05  3.86E-02  9.99E-02  6.14E-03 025  2.39535E+00  4.00E-04
  #  (MHGPS) GEOPT  0246 0159 -1.70999419660352E+02 -1.76E-05  3.35E-02  8.22E-02  5.22E-03 025  2.39634E+00  4.00E-04
  #  (MHGPS) GEOPT  0247 0160 -1.70999434033865E+02 -1.44E-05  1.54E-02  5.07E-02  4.43E-03 025  2.39734E+00  4.00E-04
  #  (MHGPS) GEOPT  0248 0161 -1.70999441162724E+02 -7.13E-06  1.21E-02  4.26E-02  4.88E-03 025  2.39807E+00  4.00E-04
  #  (MHGPS) GEOPT  0249 0162 -1.70999445459727E+02 -4.30E-06  1.82E-02  4.59E-02  5.37E-03 025  2.39861E+00  4.00E-04
  #  (MHGPS) GEOPT  0250 0163 -1.70999448640528E+02 -3.18E-06  1.85E-02  4.24E-02  4.56E-03 025  2.39915E+00  4.00E-04
  #  (MHGPS) GEOPT  0251 0164 -1.70999450382403E+02 -1.74E-06  1.19E-02  2.60E-02  3.88E-03 025  2.39956E+00  4.00E-04
  #  (MHGPS) GEOPT  0252 0165 -1.70999451006614E+02 -6.24E-07  7.17E-03  2.19E-02  3.30E-03 025  2.39988E+00  4.00E-04
  #  (MHGPS) GEOPT  0253 0166 -1.70999451381625E+02 -3.75E-07  5.42E-03  1.68E-02  2.80E-03 025  2.40005E+00  4.00E-04
  #  (MHGPS) GEOPT  0254 0167 -1.70999451557358E+02 -1.76E-07  4.60E-03  1.44E-02  2.38E-03 025  2.40018E+00  4.00E-04
  #  (MHGPS) GEOPT  0255 0168 -1.70999451764586E+02 -2.07E-07  4.59E-03  1.18E-02  2.62E-03 025  2.40028E+00  4.00E-04
  #  (MHGPS) GEOPT  0256 0169 -1.70999451922766E+02 -1.58E-07  4.50E-03  1.04E-02  2.88E-03 025  2.40039E+00  4.00E-04
  #  (MHGPS) GEOPT  0257 0170 -1.70999452017937E+02 -9.52E-08  4.00E-03  8.89E-03  3.17E-03 024  2.40047E+00  4.00E-04
  #  (MHGPS) GEOPT  0258 0171 -1.70999452164468E+02 -1.47E-07  3.67E-03  7.65E-03  3.49E-03 024  2.40055E+00  4.00E-04
  #  (MHGPS) GEOPT  0259 0172 -1.70999452276944E+02 -1.12E-07  3.07E-03  6.71E-03  3.83E-03 024  2.40062E+00  4.00E-04
  #  (MHGPS) GEOPT  0260 0173 -1.70999452354010E+02 -7.71E-08  2.53E-03  5.87E-03  4.22E-03 023  2.40068E+00  4.00E-04
  #  (MHGPS) GEOPT  0261 0174 -1.70999452466194E+02 -1.12E-07  2.18E-03  5.40E-03  4.64E-03 023  2.40075E+00  4.00E-04
  #  (MHGPS) GEOPT  0262 0175 -1.70999452545645E+02 -7.95E-08  1.83E-03  4.93E-03  5.10E-03 023  2.40081E+00  4.00E-04
  #  (MHGPS) GEOPT  0263 0176 -1.70999452643775E+02 -9.81E-08  1.46E-03  4.31E-03  5.61E-03 023  2.40088E+00  4.00E-04
  #  (MHGPS) GEOPT  0264 0177 -1.70999452724444E+02 -8.07E-08  1.25E-03  3.43E-03  6.17E-03 023  2.40093E+00  4.00E-04
  #  (MHGPS) GEOPT  0265 0178 -1.70999452785449E+02 -6.10E-08  1.70E-03  3.93E-03  6.79E-03 023  2.40096E+00  4.00E-04
  #  (MHGPS) GEOPT  0266 0179 -1.70999452814591E+02 -2.91E-08  1.78E-03  4.65E-03  7.47E-03 024  2.40103E+00  4.00E-04
  #  (MHGPS) GEOPT  0267 0180 -1.70999452823869E+02 -9.28E-09  1.99E-03  4.81E-03  6.35E-03 024  2.40107E+00  4.00E-04
  #  (MHGPS) GEOPT  0268 0181 -1.70999452845993E+02 -2.21E-08  1.34E-03  3.09E-03  5.40E-03 024  2.40109E+00  4.00E-04
  #  (MHGPS) GEOPT  0269 0182 -1.70999452856172E+02 -1.02E-08  1.20E-03  2.38E-03  4.59E-03 024  2.40111E+00  4.00E-04
  #  (MHGPS) GEOPT  0270 0183 -1.70999452861361E+02 -5.19E-09  9.09E-04  2.09E-03  3.90E-03 024  2.40113E+00  4.00E-04
  #  (MHGPS) GEOPT  0271 0184 -1.70999452864281E+02 -2.92E-09  1.17E-03  2.33E-03  3.32E-03 024  2.40114E+00  4.00E-04
  #  (MHGPS) GEOPT  0272 0185 -1.70999452870547E+02 -6.27E-09  4.35E-04  1.21E-03  2.82E-03 024  2.40115E+00  4.00E-04
  #  (MHGPS) GEOPT  0273 0186 -1.70999452873629E+02 -3.08E-09  4.00E-04  9.13E-04  3.10E-03 024  2.40116E+00  4.00E-04
    #(MHGPS) tightening
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.99605778657795E-03
  #  (MHGPS) CUOPT minoverlap -2.00E+00
  #  (MHGPS) CUOPT  0274 0000 -5.78904442685803E+00  0.00E+00  4.30E+00  8.06E+00  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0275 0001 -5.83398309599774E+00 -4.49E-02  2.30E+00  4.85E+00  1.00E-03 000  2.00E-04  1.00E+00  8.05606E-03  8.05587E-03
   (MHGPS) minmode overlap               :  0.9999667879566315
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0276 0187 -1.70999452873854E+02 -2.25E-10  4.00E-04  9.55E-04  3.41E-03 025  2.40118E+00  4.00E-04
   (MHGPS) convergence at                :  276
    #............................................................ (MHGPS) Relax from left side
  #(MHGPS) COUNT  IT  GEOPT_METHOD  ENERGY                 DIFF       FMAX       FNRM      FRAC*FLUC FLUC      ADD. INFO
      0     0  (MHGPS) GEOPT_SQNM  -1.70999463836638E+02   0.00E+00  6.281E-03  1.25E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=0.0E+00 dsplr=0.00000E+00 dsplp=0.00000E+00
      1     1  (MHGPS) GEOPT_SQNM  -1.70999463989948E+02  -1.53E-07  6.262E-03  1.22E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=6.3E-06 dsplr=1.24581E-05 dsplp=1.24581E-05
      2     2  (MHGPS) GEOPT_SQNM  -1.70999465137749E+02  -1.15E-06  7.309E-03  1.57E-02  0.00E+00  0.00E+00   beta=1.10E-03 dim=001 maxd=5.2E-05 dsplr=1.16005E-04 dsplp=1.16005E-04
      3     3  (MHGPS) GEOPT_SQNM  -1.70999466177114E+02  -1.04E-06  8.666E-03  1.62E-02  0.00E+00  0.00E+00   beta=1.21E-03 dim=001 maxd=4.6E-05 dsplr=2.05354E-04 dsplp=2.05354E-04
      4     4  (MHGPS) GEOPT_SQNM  -1.70999469224844E+02  -3.05E-06  1.166E-02  2.06E-02  0.00E+00  0.00E+00   beta=1.33E-03 dim=002 maxd=1.3E-04 dsplr=4.64413E-04 dsplp=4.64413E-04
      5     5  (MHGPS) GEOPT_SQNM  -1.70999472595493E+02  -3.37E-06  1.366E-02  2.35E-02  0.00E+00  0.00E+00   beta=1.46E-03 dim=002 maxd=1.3E-04 dsplr=7.23147E-04 dsplp=7.23147E-04
      6     6  (MHGPS) GEOPT_SQNM  -1.70999485452770E+02  -1.29E-05  1.111E-02  2.94E-02  0.00E+00  0.00E+00   beta=1.61E-03 dim=003 maxd=4.1E-04 dsplr=1.48816E-03 dsplp=1.48816E-03
      7     7  (MHGPS) GEOPT_SQNM  -1.70999505081641E+02  -1.96E-05  1.415E-02  3.71E-02  0.00E+00  0.00E+00   beta=1.77E-03 dim=003 maxd=4.8E-04 dsplr=2.43946E-03 dsplp=2.43946E-03
      8     8  (MHGPS) GEOPT_SQNM  -1.70999559123231E+02  -5.40E-05  1.841E-02  5.25E-02  0.00E+00  0.00E+00   beta=1.95E-03 dim=004 maxd=9.7E-04 dsplr=4.28226E-03 dsplp=4.28226E-03
      9     9  (MHGPS) GEOPT_SQNM  -1.70999671691162E+02  -1.13E-04  2.479E-02  6.61E-02  0.00E+00  0.00E+00   beta=2.14E-03 dim=004 maxd=1.4E-03 dsplr=6.98974E-03 dsplp=6.98974E-03
     10    10  (MHGPS) GEOPT_SQNM  -1.70999955790776E+02  -2.84E-04  4.224E-02  1.00E-01  0.00E+00  0.00E+00   beta=2.36E-03 dim=004 maxd=2.4E-03 dsplr=1.15979E-02 dsplp=1.15979E-02
     11    11  (MHGPS) GEOPT_SQNM  -1.71000822594083E+02  -8.67E-04  8.799E-02  1.64E-01  0.00E+00  0.00E+00   beta=2.59E-03 dim=005 maxd=4.4E-03 dsplr=2.02534E-02 dsplp=2.02534E-02
     12    12  (MHGPS) GEOPT_SQNM  -1.71003223452073E+02  -2.40E-03  1.516E-01  2.52E-01  0.00E+00  0.00E+00   beta=2.85E-03 dim=005 maxd=7.4E-03 dsplr=3.47630E-02 dsplp=3.47630E-02
     13    13  (MHGPS) GEOPT_SQNM  -1.71010394916571E+02  -7.17E-03  2.760E-01  4.37E-01  0.00E+00  0.00E+00   beta=3.14E-03 dim=005 maxd=1.3E-02 dsplr=6.05747E-02 dsplp=6.05747E-02
     14    14  (MHGPS) GEOPT_SQNM  -1.71031816811597E+02  -2.14E-02  5.092E-01  7.87E-01  0.00E+00  0.00E+00   beta=3.45E-03 dim=005 maxd=2.3E-02 dsplr=1.06366E-01 dsplp=1.06366E-01
     15    15  (MHGPS) GEOPT_SQNM  -1.71092397662972E+02  -6.06E-02  9.325E-01  1.57E+00  0.00E+00  0.00E+00   beta=3.80E-03 dim=004 maxd=4.1E-02 dsplr=1.87532E-01 dsplp=1.87532E-01
     16    16  (MHGPS) GEOPT_SQNM  -1.71156002137013E+02  -6.36E-02  1.057E+00  2.02E+00  0.00E+00  0.00E+00   beta=4.18E-03 dim=004 maxd=3.3E-02 dsplr=2.52007E-01 dsplp=2.52007E-01
     17    17  (MHGPS) GEOPT_SQNM  -1.71181097799315E+02  -2.51E-02  1.378E+00  3.05E+00  0.00E+00  0.00E+00   beta=4.59E-03 dim=004 maxd=1.5E-02 dsplr=2.77836E-01 dsplp=2.77836E-01
     18    18  (MHGPS) GEOPT_SQNM  -1.71225953114605E+02  -4.49E-02  1.782E+00  4.09E+00  0.00E+00  0.00E+00   beta=3.91E-03 dim=004 maxd=2.6E-02 dsplr=3.27168E-01 dsplp=3.27168E-01
     19    19  (MHGPS) GEOPT_SQNM  -1.71273792656880E+02  -4.78E-02  1.085E+00  2.40E+00  0.00E+00  0.00E+00   beta=3.32E-03 dim=004 maxd=1.6E-02 dsplr=3.60603E-01 dsplp=3.60603E-01
     20    20  (MHGPS) GEOPT_SQNM  -1.71299645391303E+02  -2.59E-02  9.279E-01  2.34E+00  0.00E+00  0.00E+00   beta=3.65E-03 dim=005 maxd=8.8E-03 dsplr=3.80771E-01 dsplp=3.80771E-01
     21    21  (MHGPS) GEOPT_SQNM  -1.71318570601318E+02  -1.89E-02  1.207E+00  2.43E+00  0.00E+00  0.00E+00   beta=4.02E-03 dim=005 maxd=8.1E-03 dsplr=3.96782E-01 dsplp=3.96782E-01
     22    22  (MHGPS) GEOPT_SQNM  -1.71344112527555E+02  -2.55E-02  8.715E-01  1.61E+00  0.00E+00  0.00E+00   beta=3.41E-03 dim=006 maxd=1.1E-02 dsplr=4.16020E-01 dsplp=4.16020E-01
     23    23  (MHGPS) GEOPT_SQNM  -1.71365544818871E+02  -2.14E-02  8.161E-01  1.51E+00  0.00E+00  0.00E+00   beta=3.76E-03 dim=007 maxd=1.0E-02 dsplr=4.32875E-01 dsplp=4.32875E-01
     24    24  (MHGPS) GEOPT_SQNM  -1.71389774300816E+02  -2.42E-02  7.693E-01  1.59E+00  0.00E+00  0.00E+00   beta=4.13E-03 dim=008 maxd=1.2E-02 dsplr=4.52375E-01 dsplp=4.52375E-01
     25    25  (MHGPS) GEOPT_SQNM  -1.71422736117761E+02  -3.30E-02  8.070E-01  1.64E+00  0.00E+00  0.00E+00   beta=4.54E-03 dim=009 maxd=1.7E-02 dsplr=4.79791E-01 dsplp=4.79791E-01
     26    26  (MHGPS) GEOPT_SQNM  -1.71448277641190E+02  -2.55E-02  7.860E-01  1.54E+00  0.00E+00  0.00E+00   beta=5.00E-03 dim=010 maxd=1.3E-02 dsplr=4.99708E-01 dsplp=4.99708E-01
     27    27  (MHGPS) GEOPT_SQNM  -1.71578861905948E+02  -1.31E-01  1.700E+00  3.82E+00  0.00E+00  0.00E+00   beta=5.50E-03 dim=010 maxd=7.8E-02 dsplr=6.36363E-01 dsplp=6.36363E-01
     28    28  (MHGPS) GEOPT_SQNM  -1.71631793933685E+02  -5.29E-02  1.934E+00  3.78E+00  0.00E+00  0.00E+00   beta=4.67E-03 dim=009 maxd=2.5E-02 dsplr=6.78615E-01 dsplp=6.78615E-01
     29    29  (MHGPS) GEOPT_SQNM  -1.71715009819549E+02  -8.32E-02  1.518E+00  3.29E+00  0.00E+00  0.00E+00   beta=3.97E-03 dim=010 maxd=3.7E-02 dsplr=7.35926E-01 dsplp=7.35926E-01
     30    30  (MHGPS) GEOPT_SQNM  -1.71819671295768E+02  -1.05E-01  1.464E+00  3.39E+00  0.00E+00  0.00E+00   beta=4.37E-03 dim=010 maxd=4.5E-02 dsplr=8.03041E-01 dsplp=8.03041E-01
     31    31  (MHGPS) GEOPT_SQNM  -1.71895423283351E+02  -7.58E-02  1.613E+00  3.69E+00  0.00E+00  0.00E+00   beta=4.81E-03 dim=010 maxd=4.2E-02 dsplr=8.61369E-01 dsplp=8.61369E-01
     32    32  (MHGPS) GEOPT_SQNM  -1.71974333585213E+02  -7.89E-02  1.651E+00  3.78E+00  0.00E+00  0.00E+00   beta=5.29E-03 dim=010 maxd=1.6E-02 dsplr=9.01665E-01 dsplp=9.01665E-01
     33    33  (MHGPS) GEOPT_SQNM  -1.72030068438618E+02  -5.57E-02  2.160E+00  5.27E+00  0.00E+00  0.00E+00   beta=5.82E-03 dim=010 maxd=1.6E-02 dsplr=9.31453E-01 dsplp=9.31453E-01
     34    34  (MHGPS) GEOPT_SQNM  -1.72066999932341E+02  -3.69E-02  5.102E+00  8.74E+00  0.00E+00  0.00E+00   beta=4.94E-03 dim=010 maxd=1.5E-02 dsplr=9.65627E-01 dsplp=9.65627E-01
     35    35  (MHGPS) GEOPT_SQNM  -1.72176538507361E+02  -1.10E-01  4.225E+00  6.93E+00  0.00E+00  0.00E+00   beta=4.20E-03 dim=010 maxd=1.9E-02 dsplr=1.00717E+00 dsplp=1.00717E+00
     36    36  (MHGPS) GEOPT_SQNM  -1.72350929964173E+02  -1.74E-01  2.134E+00  4.36E+00  0.00E+00  0.00E+00   beta=3.57E-03 dim=010 maxd=3.1E-02 dsplr=1.07507E+00 dsplp=1.07507E+00
     37    37  (MHGPS) GEOPT_SQNM  -1.72500537907282E+02  -1.50E-01  2.884E+00  5.10E+00  0.00E+00  0.00E+00   beta=3.93E-03 dim=010 maxd=2.9E-02 dsplr=1.14745E+00 dsplp=1.14745E+00
     38    38  (MHGPS) GEOPT_SQNM  -1.72598698852027E+02  -9.82E-02  3.105E+00  5.68E+00  0.00E+00  0.00E+00   beta=4.32E-03 dim=010 maxd=1.8E-02 dsplr=1.19325E+00 dsplp=1.19325E+00
     39    39  (MHGPS) GEOPT_SQNM  -1.72693608147870E+02  -9.49E-02  1.259E+00  3.33E+00  0.00E+00  0.00E+00   beta=3.67E-03 dim=010 maxd=1.7E-02 dsplr=1.23486E+00 dsplp=1.23486E+00
     40    40  (MHGPS) GEOPT_SQNM  -1.72756275295303E+02  -6.27E-02  8.945E-01  2.38E+00  0.00E+00  0.00E+00   beta=4.04E-03 dim=010 maxd=1.6E-02 dsplr=1.26757E+00 dsplp=1.26757E+00
     41    41  (MHGPS) GEOPT_SQNM  -1.72796118694955E+02  -3.98E-02  1.139E+00  2.28E+00  0.00E+00  0.00E+00   beta=4.45E-03 dim=010 maxd=1.1E-02 dsplr=1.29424E+00 dsplp=1.29424E+00
     42    42  (MHGPS) GEOPT_SQNM  -1.72814044814850E+02  -1.79E-02  2.489E+00  3.67E+00  0.00E+00  0.00E+00   beta=4.89E-03 dim=010 maxd=6.4E-03 dsplr=1.31224E+00 dsplp=1.31224E+00
     43    43  (MHGPS) GEOPT_SQNM  -1.72836992461366E+02  -2.29E-02  1.295E+00  2.24E+00  0.00E+00  0.00E+00   beta=4.16E-03 dim=010 maxd=5.6E-03 dsplr=1.32894E+00 dsplp=1.32894E+00
     44    44  (MHGPS) GEOPT_SQNM  -1.72858903033099E+02  -2.19E-02  3.649E-01  1.20E+00  0.00E+00  0.00E+00   beta=3.53E-03 dim=010 maxd=9.7E-03 dsplr=1.35370E+00 dsplp=1.35370E+00
     45    45  (MHGPS) GEOPT_SQNM  -1.72867502380816E+02  -8.60E-03  2.927E-01  8.88E-01  0.00E+00  0.00E+00   beta=3.89E-03 dim=010 maxd=5.4E-03 dsplr=1.36802E+00 dsplp=1.36802E+00
     46    46  (MHGPS) GEOPT_SQNM  -1.72872507916256E+02  -5.01E-03  2.960E-01  7.04E-01  0.00E+00  0.00E+00   beta=4.28E-03 dim=010 maxd=3.7E-03 dsplr=1.37808E+00 dsplp=1.37808E+00
     47    47  (MHGPS) GEOPT_SQNM  -1.72874820979149E+02  -2.31E-03  6.721E-01  9.66E-01  0.00E+00  0.00E+00   beta=4.70E-03 dim=010 maxd=2.7E-03 dsplr=1.38589E+00 dsplp=1.38589E+00
     48    48  (MHGPS) GEOPT_SQNM  -1.72876396876075E+02  -1.58E-03  6.075E-01  8.71E-01  0.00E+00  0.00E+00   beta=4.00E-03 dim=010 maxd=2.8E-03 dsplr=1.39386E+00 dsplp=1.39386E+00
     49    49  (MHGPS) GEOPT_SQNM  -1.72877206684129E+02  -8.10E-04  2.768E-01  4.84E-01  0.00E+00  0.00E+00   beta=3.40E-03 dim=010 maxd=1.6E-03 dsplr=1.39850E+00 dsplp=1.39850E+00
     50    50  (MHGPS) GEOPT_SQNM  -1.72877464226515E+02  -2.58E-04  2.276E-01  3.20E-01  0.00E+00  0.00E+00   beta=2.89E-03 dim=010 maxd=7.0E-04 dsplr=1.40056E+00 dsplp=1.40056E+00
     51    51  (MHGPS) GEOPT_SQNM  -1.72877593833935E+02  -1.30E-04  1.036E-01  1.86E-01  0.00E+00  0.00E+00   beta=2.45E-03 dim=010 maxd=4.5E-04 dsplr=1.40191E+00 dsplp=1.40191E+00
     52    52  (MHGPS) GEOPT_SQNM  -1.72877659048135E+02  -6.52E-05  2.648E-02  8.10E-02  0.00E+00  0.00E+00   beta=2.09E-03 dim=010 maxd=3.2E-04 dsplr=1.40286E+00 dsplp=1.40286E+00
     53    53  (MHGPS) GEOPT_SQNM  -1.72877687627936E+02  -2.86E-05  2.100E-02  6.29E-02  0.00E+00  0.00E+00   beta=2.30E-03 dim=010 maxd=2.6E-04 dsplr=1.40359E+00 dsplp=1.40359E+00
     54    54  (MHGPS) GEOPT_SQNM  -1.72877704415135E+02  -1.68E-05  1.531E-02  5.03E-02  0.00E+00  0.00E+00   beta=2.52E-03 dim=010 maxd=2.1E-04 dsplr=1.40412E+00 dsplp=1.40412E+00
     55    55  (MHGPS) GEOPT_SQNM  -1.72877712128133E+02  -7.71E-06  1.168E-02  3.63E-02  0.00E+00  0.00E+00   beta=2.78E-03 dim=009 maxd=9.0E-05 dsplr=1.40435E+00 dsplp=1.40435E+00
     56    56  (MHGPS) GEOPT_SQNM  -1.72877720081241E+02  -7.95E-06  1.097E-02  3.19E-02  0.00E+00  0.00E+00   beta=3.06E-03 dim=010 maxd=1.5E-04 dsplr=1.40472E+00 dsplp=1.40472E+00
     57    57  (MHGPS) GEOPT_SQNM  -1.72877726788414E+02  -6.71E-06  7.455E-03  2.63E-02  0.00E+00  0.00E+00   beta=3.36E-03 dim=010 maxd=1.3E-04 dsplr=1.40512E+00 dsplp=1.40512E+00
     58    58  (MHGPS) GEOPT_SQNM  -1.72877729436028E+02  -2.65E-06  6.380E-03  2.08E-02  0.00E+00  0.00E+00   beta=3.70E-03 dim=010 maxd=6.3E-05 dsplr=1.40530E+00 dsplp=1.40530E+00
     59    59  (MHGPS) GEOPT_SQNM  -1.72877731767121E+02  -2.33E-06  4.905E-03  1.70E-02  0.00E+00  0.00E+00   beta=4.07E-03 dim=010 maxd=6.3E-05 dsplr=1.40549E+00 dsplp=1.40549E+00
     60    60  (MHGPS) GEOPT_SQNM  -1.72877733541483E+02  -1.77E-06  1.063E-02  1.84E-02  0.00E+00  0.00E+00   beta=4.47E-03 dim=010 maxd=7.2E-05 dsplr=1.40569E+00 dsplp=1.40569E+00
     61    61  (MHGPS) GEOPT_SQNM  -1.72877734675716E+02  -1.13E-06  1.380E-02  1.94E-02  0.00E+00  0.00E+00   beta=4.92E-03 dim=010 maxd=7.1E-05 dsplr=1.40587E+00 dsplp=1.40587E+00
     62    62  (MHGPS) GEOPT_SQNM  -1.72877735370937E+02  -6.95E-07  9.469E-03  1.54E-02  0.00E+00  0.00E+00   beta=4.18E-03 dim=010 maxd=5.9E-05 dsplr=1.40601E+00 dsplp=1.40601E+00
     63    63  (MHGPS) GEOPT_SQNM  -1.72877735791986E+02  -4.21E-07  6.675E-03  1.14E-02  0.00E+00  0.00E+00   beta=3.55E-03 dim=010 maxd=4.5E-05 dsplr=1.40611E+00 dsplp=1.40611E+00
     64    64  (MHGPS) GEOPT_SQNM  -1.72877735989349E+02  -1.97E-07  4.354E-03  8.17E-03  0.00E+00  0.00E+00   beta=3.02E-03 dim=010 maxd=2.6E-05 dsplr=1.40617E+00 dsplp=1.40617E+00
     65    65  (MHGPS) GEOPT_SQNM  -1.72877736142728E+02  -1.53E-07  1.531E-03  4.15E-03  0.00E+00  0.00E+00   beta=2.57E-03 dim=010 maxd=2.7E-05 dsplr=1.40622E+00 dsplp=1.40622E+00
     66    66  (MHGPS) GEOPT_SQNM  -1.72877736230395E+02  -8.77E-08  9.887E-04  3.38E-03  0.00E+00  0.00E+00   beta=2.83E-03 dim=010 maxd=2.3E-05 dsplr=1.40626E+00 dsplp=1.40626E+00
     67    67  (MHGPS) GEOPT_SQNM  -1.72877736293432E+02  -6.30E-08  9.864E-04  2.90E-03  0.00E+00  0.00E+00   beta=3.11E-03 dim=010 maxd=2.0E-05 dsplr=1.40630E+00 dsplp=1.40630E+00
     68    68  (MHGPS) GEOPT_SQNM  -1.72877736331092E+02  -3.77E-08  1.794E-03  3.31E-03  0.00E+00  0.00E+00   beta=3.42E-03 dim=010 maxd=1.3E-05 dsplr=1.40633E+00 dsplp=1.40633E+00
     69    69  (MHGPS) GEOPT_SQNM  -1.72877736348906E+02  -1.78E-08  2.096E-03  3.36E-03  0.00E+00  0.00E+00   beta=2.91E-03 dim=010 maxd=6.0E-06 dsplr=1.40635E+00 dsplp=1.40635E+00
     70    70  (MHGPS) GEOPT_SQNM  -1.72877736375386E+02  -2.65E-08  5.437E-04  1.71E-03  0.00E+00  0.00E+00   beta=2.47E-03 dim=010 maxd=9.1E-06 dsplr=1.40637E+00 dsplp=1.40637E+00
     71    71  (MHGPS) GEOPT_SQNM  -1.72877736392634E+02  -1.72E-08  3.828E-04  1.45E-03  0.00E+00  0.00E+00   beta=2.72E-03 dim=010 maxd=1.0E-05 dsplr=1.40639E+00 dsplp=1.40639E+00
     72    72  (MHGPS) GEOPT_SQNM  -1.72877736402707E+02  -1.01E-08  3.249E-04  1.09E-03  0.00E+00  0.00E+00   beta=2.99E-03 dim=010 maxd=7.6E-06 dsplr=1.40641E+00 dsplp=1.40641E+00
     73    73  (MHGPS) GEOPT_SQNM  -1.72877736405988E+02  -3.28E-09  5.782E-04  9.70E-04  0.00E+00  0.00E+00   beta=3.29E-03 dim=009 maxd=2.7E-06 dsplr=1.40641E+00 dsplp=1.40641E+00
     74    74  (MHGPS) GEOPT_SQNM  -1.72877736408069E+02  -2.08E-09  5.385E-04  9.16E-04  0.00E+00  0.00E+00   beta=2.79E-03 dim=010 maxd=2.4E-06 dsplr=1.40642E+00 dsplp=1.40642E+00
     75    75  (MHGPS) GEOPT_SQNM  -1.72877736409159E+02  -1.09E-09  2.742E-04  5.87E-04  0.00E+00  0.00E+00   beta=2.38E-03 dim=010 maxd=1.2E-06 dsplr=1.40642E+00 dsplp=1.40642E+00
  (MHGPS) SQNM converged at iteration  75. Needed energy calls:  75
  (MHGPS)ediff, fpdist  MS  1.8782835E+00  3.6097422E-02
    #........................................................... (MHGPS) Relax from right side
  #(MHGPS) COUNT  IT  GEOPT_METHOD  ENERGY                 DIFF       FMAX       FNRM      FRAC*FLUC FLUC      ADD. INFO
      0     0  (MHGPS) GEOPT_SQNM  -1.70999465294621E+02   0.00E+00  6.921E-03  1.30E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=0.0E+00 dsplr=0.00000E+00 dsplp=0.00000E+00
      1     1  (MHGPS) GEOPT_SQNM  -1.70999465461056E+02  -1.66E-07  6.880E-03  1.28E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=6.9E-06 dsplr=1.29645E-05 dsplp=1.29645E-05
      2     2  (MHGPS) GEOPT_SQNM  -1.70999466818823E+02  -1.36E-06  7.432E-03  1.67E-02  0.00E+00  0.00E+00   beta=1.10E-03 dim=001 maxd=6.2E-05 dsplr=1.28403E-04 dsplp=1.28403E-04
      3     3  (MHGPS) GEOPT_SQNM  -1.70999468094497E+02  -1.28E-06  8.786E-03  1.72E-02  0.00E+00  0.00E+00   beta=1.21E-03 dim=001 maxd=5.5E-05 dsplr=2.31037E-04 dsplp=2.31037E-04
      4     4  (MHGPS) GEOPT_SQNM  -1.70999472173410E+02  -4.08E-06  1.250E-02  2.21E-02  0.00E+00  0.00E+00   beta=1.33E-03 dim=002 maxd=1.7E-04 dsplr=5.52357E-04 dsplp=5.52357E-04
      5     5  (MHGPS) GEOPT_SQNM  -1.70999476798506E+02  -4.63E-06  1.528E-02  2.63E-02  0.00E+00  0.00E+00   beta=1.46E-03 dim=002 maxd=1.7E-04 dsplr=8.79898E-04 dsplp=8.79898E-04
      6     6  (MHGPS) GEOPT_SQNM  -1.70999493425312E+02  -1.66E-05  1.306E-02  3.32E-02  0.00E+00  0.00E+00   beta=1.61E-03 dim=003 maxd=4.6E-04 dsplr=1.75944E-03 dsplp=1.75944E-03
      7     7  (MHGPS) GEOPT_SQNM  -1.70999520079686E+02  -2.67E-05  1.601E-02  4.10E-02  0.00E+00  0.00E+00   beta=1.77E-03 dim=003 maxd=5.8E-04 dsplr=2.88754E-03 dsplp=2.88754E-03
      8     8  (MHGPS) GEOPT_SQNM  -1.70999592377605E+02  -7.23E-05  2.068E-02  5.99E-02  0.00E+00  0.00E+00   beta=1.95E-03 dim=004 maxd=1.1E-03 dsplr=5.04367E-03 dsplp=5.04367E-03
      9     9  (MHGPS) GEOPT_SQNM  -1.70999746573560E+02  -1.54E-04  2.586E-02  7.64E-02  0.00E+00  0.00E+00   beta=2.14E-03 dim=004 maxd=1.6E-03 dsplr=8.22343E-03 dsplp=8.22343E-03
     10    10  (MHGPS) GEOPT_SQNM  -1.71000139103795E+02  -3.93E-04  4.420E-02  1.15E-01  0.00E+00  0.00E+00   beta=2.36E-03 dim=004 maxd=2.8E-03 dsplr=1.36173E-02 dsplp=1.36173E-02
     11    11  (MHGPS) GEOPT_SQNM  -1.71001151312758E+02  -1.01E-03  7.212E-02  1.73E-01  0.00E+00  0.00E+00   beta=2.59E-03 dim=004 maxd=4.6E-03 dsplr=2.25239E-02 dsplp=2.25239E-02
     12    12  (MHGPS) GEOPT_SQNM  -1.71004539379363E+02  -3.39E-03  1.439E-01  2.98E-01  0.00E+00  0.00E+00   beta=2.85E-03 dim=005 maxd=9.0E-03 dsplr=4.01890E-02 dsplp=4.01890E-02
     13    13  (MHGPS) GEOPT_SQNM  -1.71014824529918E+02  -1.03E-02  2.231E-01  4.91E-01  0.00E+00  0.00E+00   beta=3.14E-03 dim=005 maxd=1.6E-02 dsplr=7.12751E-02 dsplp=7.12751E-02
     14    14  (MHGPS) GEOPT_SQNM  -1.71047043378366E+02  -3.22E-02  4.619E-01  9.22E-01  0.00E+00  0.00E+00   beta=3.45E-03 dim=005 maxd=2.9E-02 dsplr=1.28148E-01 dsplp=1.28148E-01
     15    15  (MHGPS) GEOPT_SQNM  -1.71136621673105E+02  -8.96E-02  8.998E-01  1.93E+00  0.00E+00  0.00E+00   beta=3.80E-03 dim=004 maxd=5.3E-02 dsplr=2.30690E-01 dsplp=2.30690E-01
     16    16  (MHGPS) GEOPT_SQNM  -1.71187133132311E+02  -5.05E-02  9.054E-01  1.80E+00  0.00E+00  0.00E+00   beta=4.18E-03 dim=004 maxd=2.3E-02 dsplr=2.74989E-01 dsplp=2.74989E-01
     17    17  (MHGPS) GEOPT_SQNM  -1.71227132942964E+02  -4.00E-02  9.146E-01  2.03E+00  0.00E+00  0.00E+00   beta=4.59E-03 dim=004 maxd=1.6E-02 dsplr=3.08098E-01 dsplp=3.08098E-01
     18    18  (MHGPS) GEOPT_SQNM  -1.71256146819831E+02  -2.90E-02  1.118E+00  2.38E+00  0.00E+00  0.00E+00   beta=5.05E-03 dim=004 maxd=1.1E-02 dsplr=3.31678E-01 dsplp=3.31678E-01
     19    19  (MHGPS) GEOPT_SQNM  -1.71273831152962E+02  -1.77E-02  1.933E+00  3.60E+00  0.00E+00  0.00E+00   beta=5.56E-03 dim=005 maxd=9.9E-03 dsplr=3.49914E-01 dsplp=3.49914E-01
     20    20  (MHGPS) GEOPT_SQNM  -1.71310442498535E+02  -3.66E-02  1.970E+00  3.65E+00  0.00E+00  0.00E+00   beta=4.73E-03 dim=005 maxd=1.4E-02 dsplr=3.80095E-01 dsplp=3.80095E-01
     21    21  (MHGPS) GEOPT_SQNM  -1.71351218731677E+02  -4.08E-02  1.673E+00  3.11E+00  0.00E+00  0.00E+00   beta=4.02E-03 dim=006 maxd=1.7E-02 dsplr=4.12262E-01 dsplp=4.12262E-01
     22    22  (MHGPS) GEOPT_SQNM  -1.71385350723960E+02  -3.41E-02  8.141E-01  2.12E+00  0.00E+00  0.00E+00   beta=3.41E-03 dim=007 maxd=1.4E-02 dsplr=4.37604E-01 dsplp=4.37604E-01
     23    23  (MHGPS) GEOPT_SQNM  -1.71425006725737E+02  -3.97E-02  8.445E-01  1.51E+00  0.00E+00  0.00E+00   beta=3.76E-03 dim=008 maxd=1.8E-02 dsplr=4.68744E-01 dsplp=4.68744E-01
     24    24  (MHGPS) GEOPT_SQNM  -1.71466608608103E+02  -4.16E-02  9.340E-01  1.67E+00  0.00E+00  0.00E+00   beta=4.13E-03 dim=009 maxd=2.0E-02 dsplr=5.03771E-01 dsplp=5.03771E-01
     25    25  (MHGPS) GEOPT_SQNM  -1.71511003638212E+02  -4.44E-02  9.592E-01  1.78E+00  0.00E+00  0.00E+00   beta=4.54E-03 dim=010 maxd=2.4E-02 dsplr=5.42945E-01 dsplp=5.42945E-01
     26    26  (MHGPS) GEOPT_SQNM  -1.71543627732205E+02  -3.26E-02  1.342E+00  2.27E+00  0.00E+00  0.00E+00   beta=5.00E-03 dim=010 maxd=1.5E-02 dsplr=5.71277E-01 dsplp=5.71277E-01
     27    27  (MHGPS) GEOPT_SQNM  -1.71584203604169E+02  -4.06E-02  2.069E+00  3.24E+00  0.00E+00  0.00E+00   beta=5.50E-03 dim=010 maxd=2.1E-02 dsplr=6.05943E-01 dsplp=6.05943E-01
     28    28  (MHGPS) GEOPT_SQNM  -1.71703176491135E+02  -1.19E-01  1.608E+00  3.63E+00  0.00E+00  0.00E+00   beta=4.67E-03 dim=010 maxd=5.7E-02 dsplr=6.94365E-01 dsplp=6.94365E-01
     29    29  (MHGPS) GEOPT_SQNM  -1.71829499843774E+02  -1.26E-01  1.534E+00  3.85E+00  0.00E+00  0.00E+00   beta=5.14E-03 dim=010 maxd=5.9E-02 dsplr=7.81340E-01 dsplp=7.81340E-01
     30    30  (MHGPS) GEOPT_SQNM  -1.71912043968776E+02  -8.25E-02  2.450E+00  5.26E+00  0.00E+00  0.00E+00   beta=5.66E-03 dim=010 maxd=2.9E-02 dsplr=8.29327E-01 dsplp=8.29327E-01
     31    31  (MHGPS) GEOPT_SQNM  -1.71992351814399E+02  -8.03E-02  3.017E+00  4.87E+00  0.00E+00  0.00E+00   beta=4.81E-03 dim=010 maxd=2.6E-02 dsplr=8.68533E-01 dsplp=8.68533E-01
     32    32  (MHGPS) GEOPT_SQNM  -1.72076532678519E+02  -8.42E-02  1.354E+00  3.86E+00  0.00E+00  0.00E+00   beta=4.09E-03 dim=010 maxd=2.4E-02 dsplr=9.06802E-01 dsplp=9.06802E-01
     33    33  (MHGPS) GEOPT_SQNM  -1.72172462379490E+02  -9.59E-02  1.800E+00  4.15E+00  0.00E+00  0.00E+00   beta=4.49E-03 dim=010 maxd=2.4E-02 dsplr=9.48535E-01 dsplp=9.48535E-01
     34    34  (MHGPS) GEOPT_SQNM  -1.72290634746789E+02  -1.18E-01  2.608E+00  5.48E+00  0.00E+00  0.00E+00   beta=4.94E-03 dim=010 maxd=4.2E-02 dsplr=1.01691E+00 dsplp=1.01691E+00
     35    35  (MHGPS) GEOPT_SQNM  -1.72397128446297E+02  -1.06E-01  2.708E+00  5.26E+00  0.00E+00  0.00E+00   beta=4.20E-03 dim=010 maxd=1.8E-02 dsplr=1.05700E+00 dsplp=1.05700E+00
     36    36  (MHGPS) GEOPT_SQNM  -1.72528209500213E+02  -1.31E-01  1.855E+00  4.85E+00  0.00E+00  0.00E+00   beta=4.62E-03 dim=010 maxd=3.0E-02 dsplr=1.12025E+00 dsplp=1.12025E+00
     37    37  (MHGPS) GEOPT_SQNM  -1.72623862318166E+02  -9.57E-02  1.208E+00  3.61E+00  0.00E+00  0.00E+00   beta=3.93E-03 dim=010 maxd=1.8E-02 dsplr=1.16359E+00 dsplp=1.16359E+00
     38    38  (MHGPS) GEOPT_SQNM  -1.72701448172218E+02  -7.76E-02  9.929E-01  3.02E+00  0.00E+00  0.00E+00   beta=4.32E-03 dim=010 maxd=1.5E-02 dsplr=1.19824E+00 dsplp=1.19824E+00
     39    39  (MHGPS) GEOPT_SQNM  -1.72747598221294E+02  -4.62E-02  2.374E+00  3.91E+00  0.00E+00  0.00E+00   beta=4.75E-03 dim=010 maxd=1.0E-02 dsplr=1.22513E+00 dsplp=1.22513E+00
     40    40  (MHGPS) GEOPT_SQNM  -1.72782656218452E+02  -3.51E-02  4.701E+00  7.00E+00  0.00E+00  0.00E+00   beta=5.23E-03 dim=010 maxd=1.6E-02 dsplr=1.26739E+00 dsplp=1.26739E+00
     41    41  (MHGPS) GEOPT_SQNM  -1.72833502272954E+02  -5.08E-02  1.774E+00  3.47E+00  0.00E+00  0.00E+00   beta=4.45E-03 dim=010 maxd=1.1E-02 dsplr=1.29788E+00 dsplp=1.29788E+00
     42    42  (MHGPS) GEOPT_SQNM  -1.72856709333046E+02  -2.32E-02  1.445E+00  2.40E+00  0.00E+00  0.00E+00   beta=3.78E-03 dim=010 maxd=8.6E-03 dsplr=1.32339E+00 dsplp=1.32339E+00
     43    43  (MHGPS) GEOPT_SQNM  -1.72866019901683E+02  -9.31E-03  1.394E+00  1.99E+00  0.00E+00  0.00E+00   beta=3.21E-03 dim=010 maxd=4.6E-03 dsplr=1.33725E+00 dsplp=1.33725E+00
     44    44  (MHGPS) GEOPT_SQNM  -1.72871369199892E+02  -5.35E-03  5.502E-01  1.16E+00  0.00E+00  0.00E+00   beta=2.73E-03 dim=010 maxd=3.4E-03 dsplr=1.34587E+00 dsplp=1.34587E+00
     45    45  (MHGPS) GEOPT_SQNM  -1.72874721909476E+02  -3.35E-03  3.632E-01  6.63E-01  0.00E+00  0.00E+00   beta=2.32E-03 dim=010 maxd=3.7E-03 dsplr=1.35518E+00 dsplp=1.35518E+00
     46    46  (MHGPS) GEOPT_SQNM  -1.72876178663048E+02  -1.46E-03  1.528E-01  4.68E-01  0.00E+00  0.00E+00   beta=1.97E-03 dim=010 maxd=2.5E-03 dsplr=1.36093E+00 dsplp=1.36093E+00
     47    47  (MHGPS) GEOPT_SQNM  -1.72876875785076E+02  -6.97E-04  1.211E-01  3.43E-01  0.00E+00  0.00E+00   beta=2.17E-03 dim=010 maxd=1.3E-03 dsplr=1.36477E+00 dsplp=1.36477E+00
     48    48  (MHGPS) GEOPT_SQNM  -1.72877177803015E+02  -3.02E-04  7.588E-02  2.25E-01  0.00E+00  0.00E+00   beta=1.84E-03 dim=010 maxd=4.9E-04 dsplr=1.36637E+00 dsplp=1.36637E+00
     49    49  (MHGPS) GEOPT_SQNM  -1.72877384505727E+02  -2.07E-04  5.927E-02  1.75E-01  0.00E+00  0.00E+00   beta=2.03E-03 dim=010 maxd=5.2E-04 dsplr=1.36801E+00 dsplp=1.36801E+00
     50    50  (MHGPS) GEOPT_SQNM  -1.72877530704024E+02  -1.46E-04  4.409E-02  1.43E-01  0.00E+00  0.00E+00   beta=2.23E-03 dim=010 maxd=7.6E-04 dsplr=1.37014E+00 dsplp=1.37014E+00
     51    51  (MHGPS) GEOPT_SQNM  -1.72877598604444E+02  -6.79E-05  3.314E-02  1.12E-01  0.00E+00  0.00E+00   beta=2.45E-03 dim=010 maxd=3.1E-04 dsplr=1.37110E+00 dsplp=1.37110E+00
     52    52  (MHGPS) GEOPT_SQNM  -1.72877667967424E+02  -6.94E-05  2.225E-02  7.92E-02  0.00E+00  0.00E+00   beta=2.70E-03 dim=010 maxd=3.6E-04 dsplr=1.37228E+00 dsplp=1.37228E+00
     53    53  (MHGPS) GEOPT_SQNM  -1.72877697600190E+02  -2.96E-05  1.875E-02  6.17E-02  0.00E+00  0.00E+00   beta=2.97E-03 dim=010 maxd=2.3E-04 dsplr=1.37297E+00 dsplp=1.37297E+00
     54    54  (MHGPS) GEOPT_SQNM  -1.72877710692487E+02  -1.31E-05  2.379E-02  5.45E-02  0.00E+00  0.00E+00   beta=3.27E-03 dim=010 maxd=1.5E-04 dsplr=1.37341E+00 dsplp=1.37341E+00
     55    55  (MHGPS) GEOPT_SQNM  -1.72877717656093E+02  -6.96E-06  4.616E-02  7.06E-02  0.00E+00  0.00E+00   beta=3.59E-03 dim=010 maxd=1.1E-04 dsplr=1.37377E+00 dsplp=1.37377E+00
     56    56  (MHGPS) GEOPT_SQNM  -1.72877724529784E+02  -6.87E-06  2.629E-02  4.45E-02  0.00E+00  0.00E+00   beta=3.06E-03 dim=010 maxd=9.7E-05 dsplr=1.37405E+00 dsplp=1.37405E+00
     57    57  (MHGPS) GEOPT_SQNM  -1.72877728635932E+02  -4.11E-06  1.471E-02  2.90E-02  0.00E+00  0.00E+00   beta=2.60E-03 dim=010 maxd=6.7E-05 dsplr=1.37429E+00 dsplp=1.37429E+00
     58    58  (MHGPS) GEOPT_SQNM  -1.72877731172540E+02  -2.54E-06  1.142E-02  2.31E-02  0.00E+00  0.00E+00   beta=2.86E-03 dim=010 maxd=6.1E-05 dsplr=1.37448E+00 dsplp=1.37448E+00
     59    59  (MHGPS) GEOPT_SQNM  -1.72877733060022E+02  -1.89E-06  4.934E-03  1.48E-02  0.00E+00  0.00E+00   beta=3.14E-03 dim=010 maxd=4.9E-05 dsplr=1.37465E+00 dsplp=1.37465E+00
     60    60  (MHGPS) GEOPT_SQNM  -1.72877734480556E+02  -1.42E-06  3.233E-03  1.24E-02  0.00E+00  0.00E+00   beta=3.46E-03 dim=010 maxd=5.9E-05 dsplr=1.37482E+00 dsplp=1.37482E+00
     61    61  (MHGPS) GEOPT_SQNM  -1.72877735395823E+02  -9.15E-07  2.632E-03  8.76E-03  0.00E+00  0.00E+00   beta=3.80E-03 dim=010 maxd=5.1E-05 dsplr=1.37496E+00 dsplp=1.37496E+00
     62    62  (MHGPS) GEOPT_SQNM  -1.72877735866829E+02  -4.71E-07  2.475E-03  7.36E-03  0.00E+00  0.00E+00   beta=4.18E-03 dim=010 maxd=4.4E-05 dsplr=1.37508E+00 dsplp=1.37508E+00
     63    63  (MHGPS) GEOPT_SQNM  -1.72877736072453E+02  -2.06E-07  3.094E-03  6.89E-03  0.00E+00  0.00E+00   beta=4.60E-03 dim=010 maxd=2.5E-05 dsplr=1.37515E+00 dsplp=1.37515E+00
     64    64  (MHGPS) GEOPT_SQNM  -1.72877736207459E+02  -1.35E-07  1.811E-03  4.66E-03  0.00E+00  0.00E+00   beta=3.91E-03 dim=010 maxd=1.6E-05 dsplr=1.37520E+00 dsplp=1.37520E+00
     65    65  (MHGPS) GEOPT_SQNM  -1.72877736275474E+02  -6.80E-08  1.434E-03  3.35E-03  0.00E+00  0.00E+00   beta=3.32E-03 dim=010 maxd=1.2E-05 dsplr=1.37523E+00 dsplp=1.37523E+00
     66    66  (MHGPS) GEOPT_SQNM  -1.72877736305216E+02  -2.97E-08  1.233E-03  2.75E-03  0.00E+00  0.00E+00   beta=2.83E-03 dim=010 maxd=6.6E-06 dsplr=1.37525E+00 dsplp=1.37525E+00
     67    67  (MHGPS) GEOPT_SQNM  -1.72877736332250E+02  -2.70E-08  1.239E-03  2.65E-03  0.00E+00  0.00E+00   beta=3.11E-03 dim=010 maxd=7.3E-06 dsplr=1.37527E+00 dsplp=1.37527E+00
     68    68  (MHGPS) GEOPT_SQNM  -1.72877736349999E+02  -1.77E-08  1.695E-03  2.69E-03  0.00E+00  0.00E+00   beta=3.42E-03 dim=010 maxd=4.7E-06 dsplr=1.37529E+00 dsplp=1.37529E+00
     69    69  (MHGPS) GEOPT_SQNM  -1.72877736371760E+02  -2.18E-08  5.270E-04  1.54E-03  0.00E+00  0.00E+00   beta=2.91E-03 dim=010 maxd=7.2E-06 dsplr=1.37531E+00 dsplp=1.37531E+00
     70    70  (MHGPS) GEOPT_SQNM  -1.72877736385442E+02  -1.37E-08  4.648E-04  1.23E-03  0.00E+00  0.00E+00   beta=3.20E-03 dim=010 maxd=6.8E-06 dsplr=1.37533E+00 dsplp=1.37533E+00
     71    71  (MHGPS) GEOPT_SQNM  -1.72877736396121E+02  -1.07E-08  3.574E-04  1.05E-03  0.00E+00  0.00E+00   beta=3.52E-03 dim=010 maxd=7.3E-06 dsplr=1.37534E+00 dsplp=1.37534E+00
     72    72  (MHGPS) GEOPT_SQNM  -1.72877736402381E+02  -6.26E-09  3.125E-04  8.84E-04  0.00E+00  0.00E+00   beta=3.87E-03 dim=010 maxd=6.0E-06 dsplr=1.37536E+00 dsplp=1.37536E+00
     73    73  (MHGPS) GEOPT_SQNM  -1.72877736405618E+02  -3.24E-09  5.522E-04  9.78E-04  0.00E+00  0.00E+00   beta=4.25E-03 dim=010 maxd=4.5E-06 dsplr=1.37537E+00 dsplp=1.37537E+00
     74    74  (MHGPS) GEOPT_SQNM  -1.72877736407295E+02  -1.68E-09  7.228E-04  1.14E-03  0.00E+00  0.00E+00   beta=3.62E-03 dim=010 maxd=3.5E-06 dsplr=1.37537E+00 dsplp=1.37537E+00
  (MHGPS) SQNM converged at iteration  74. Needed energy calls:  74
  (MHGPS)ediff, fpdist  MS  1.8782835E+00  3.6097688E-02
  (MHGPS)ediff, fpdist  MM  2.0135928E-09  2.2515680E-07
  (MHGPS)ediff, fpdist  MM  1.9986437E+00  3.6670346E-02
  (MHGPS)ediff, fpdist  MM  1.9986437E+00  3.6670215E-02
  (MHGPS)ediff, fpdist  MM  3.8770906E-09  4.5851688E-07
   (MHGPS) connection check lnl and not rnr (rmsd)   2.12535733901167     
  (MHGPS) connection check connected -1.72877736409158928E+02 -1.72877736407295430E+02
    #(MHGPS) nsad:1; connect minima with following energies
    #(MHGPS) -172.8777364072954 and
    #(MHGPS) -170.8790926601544
  (MHGPS)ediff, fpdist  MM  1.9986437E+00  3.6670346E-02
    #-------------------------------------------------- (MHGPS) Generating TS input guess ....
    #(MHGPS) entering grow_freezstring
     (MHGPS) 001  8.587E+00 -1.721E+02  7.157E+00 -1.704E+02
     (MHGPS) 001  1.002E+01 -1.710E+02  8.422E+00 -1.697E+02
     (MHGPS) 001  1.006E+01 -1.700E+02  9.033E+00 -1.692E+02
     (MHGPS) 001  9.545E+00 -1.694E+02  9.085E+00 -1.690E+02
     (MHGPS) 001  8.424E+00 -1.691E+02  8.421E+00 -1.691E+02
   (MHGPS) No. Energy evaluations for TS guess:  20.0
    #-------------------------------------------------------- (MHGPS) Start Saddle Search ....
    #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    ndim dspl         alpha_strtch
     (MHGPS) GEOPT  0001 0000 -1.69039388813780E+02  0.00E+00  3.60E+00  7.91E+00  1.00E-03 000  0.00000E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.39420043525970E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0002 0000 -1.47668923266789E+01  0.00E+00  9.00E+00  1.70E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0003 0001 -1.50038464067479E+01 -2.37E-01  5.59E+00  1.17E+01  1.00E-03 000  2.00E-04  1.00E+00  1.70432E-02  1.70414E-02
  #  (MHGPS) CUOPT  0004 0002 -1.51974338654160E+01 -1.94E-01  3.64E+00  8.69E+00  1.10E-03 001  2.00E-04  9.99E-01  3.95933E-02  3.95850E-02
  #  (MHGPS) CUOPT  0005 0003 -1.53279112737072E+01 -1.30E-01  3.15E+00  7.32E+00  1.21E-03 002  2.00E-04  9.98E-01  6.01435E-02  6.01316E-02
  #  (MHGPS) CUOPT  0006 0004 -1.54525271086992E+01 -1.25E-01  2.46E+00  6.31E+00  1.33E-03 003  2.00E-04  9.97E-01  8.80124E-02  8.79855E-02
  #  (MHGPS) CUOPT  0007 0005 -1.55127459111278E+01 -6.02E-02  1.88E+00  5.39E+00  1.46E-03 003  2.00E-04  9.96E-01  1.03467E-01  1.03434E-01
  #  (MHGPS) CUOPT  0008 0006 -1.55748268768247E+01 -6.21E-02  1.02E+00  3.13E+00  1.61E-03 004  2.00E-04  9.94E-01  1.26523E-01  1.26479E-01
   (MHGPS) minmode overlap               :  0.9932789149390012
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0009 0001 -1.69098074685081E+02 -5.87E-02  3.16E+00  7.14E+00  1.00E-03 000  7.91483E-03  4.00E-04
  #  (MHGPS) GEOPT  0010 0002 -1.69332989587087E+02 -2.35E-01  3.19E+00  5.76E+00  1.10E-03 001  5.53984E-02  4.00E-04
  #  (MHGPS) GEOPT  0011 0003 -1.69405902874871E+02 -7.29E-02  3.35E+00  5.58E+00  1.21E-03 002  7.60935E-02  4.00E-04
  #  (MHGPS) GEOPT  0012 0004 -1.69627908530110E+02 -2.22E-01  3.01E+00  5.46E+00  1.33E-03 003  1.33595E-01  4.00E-04
  #  (MHGPS) GEOPT  0013 0005 -1.69756206665797E+02 -1.28E-01  3.59E+00  6.10E+00  1.46E-03 003  1.81649E-01  4.00E-04
  #  (MHGPS) GEOPT  0014 0006 -1.69961423942264E+02 -2.05E-01  2.48E+00  6.31E+00  1.61E-03 004  2.57457E-01  4.00E-04
  #  (MHGPS) GEOPT  0015 0007 -1.69985560865303E+02 -2.41E-02  3.35E+00  5.73E+00  1.37E-03 004  3.02085E-01  4.00E-04
  #  (MHGPS) GEOPT  0016 0008 -1.70023339312233E+02 -3.78E-02  3.04E+00  6.07E+00  1.16E-03 005  3.38798E-01  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.33636339469989E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0017 0000  7.14536151526787E-01  0.00E+00  4.33E+01  7.51E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0018 0001 -3.91286953222112E+00 -4.63E+00  2.63E+01  5.06E+01  1.00E-03 000  2.00E-04  9.97E-01  7.50907E-02  7.49325E-02
  #  (MHGPS) CUOPT  0019 0002 -7.50767787645784E+00 -3.59E+00  1.16E+01  2.90E+01  1.10E-03 001  2.00E-04  9.82E-01  1.89098E-01  1.88115E-01
  #  (MHGPS) CUOPT  0020 0003 -8.53345365095338E+00 -1.03E+00  9.05E+00  2.04E+01  1.21E-03 002  2.00E-04  9.73E-01  2.42851E-01  2.41777E-01
  #  (MHGPS) CUOPT  0021 0004 -9.21029812717265E+00 -6.77E-01  7.46E+00  1.63E+01  1.33E-03 003  2.00E-04  9.66E-01  2.92185E-01  2.90059E-01
  #  (MHGPS) CUOPT  0022 0005 -9.62634640461958E+00 -4.16E-01  5.15E+00  1.27E+01  1.46E-03 004  2.00E-04  9.60E-01  3.28137E-01  3.25915E-01
  #  (MHGPS) CUOPT  0023 0006 -1.00037816268736E+01 -3.77E-01  3.66E+00  8.61E+00  1.61E-03 005  2.00E-04  9.52E-01  3.74062E-01  3.71362E-01
  #  (MHGPS) CUOPT  0024 0007 -1.02361988822021E+01 -2.32E-01  2.66E+00  6.36E+00  1.77E-03 005  2.00E-04  9.43E-01  4.19522E-01  4.16742E-01
  #  (MHGPS) CUOPT  0025 0008 -1.03352285025597E+01 -9.90E-02  1.75E+00  4.81E+00  1.95E-03 005  2.00E-04  9.37E-01  4.46907E-01  4.44099E-01
   (MHGPS) minmode overlap               :  0.9368588827331054
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0026 0009 -1.70048279011703E+02 -2.49E-02  1.34E+00  3.15E+00  1.00E-03 006  3.60051E-01  4.00E-04
  #  (MHGPS) GEOPT  0027 0010 -1.70081844073221E+02 -3.36E-02  1.14E+00  2.74E+00  1.10E-03 006  3.80918E-01  4.00E-04
  #  (MHGPS) GEOPT  0028 0011 -1.70099976403152E+02 -1.81E-02  8.68E-01  2.19E+00  1.21E-03 007  3.92705E-01  4.00E-04
  #  (MHGPS) GEOPT  0029 0012 -1.70117731910374E+02 -1.78E-02  8.10E-01  2.08E+00  1.33E-03 007  4.17252E-01  4.00E-04
  #  (MHGPS) GEOPT  0030 0013 -1.70129786554372E+02 -1.21E-02  8.27E-01  1.89E+00  1.13E-03 008  4.35458E-01  4.00E-04
  #  (MHGPS) GEOPT  0031 0014 -1.70135086680283E+02 -5.30E-03  6.87E-01  1.47E+00  1.00E-03 008  4.48382E-01  4.00E-04
  #  (MHGPS) GEOPT  0032 0015 -1.70141627635891E+02 -6.54E-03  5.00E-01  1.24E+00  1.00E-03 009  4.57136E-01  4.00E-04
  #  (MHGPS) GEOPT  0033 0016 -1.70146364828009E+02 -4.74E-03  5.09E-01  1.40E+00  1.10E-03 009  4.67030E-01  4.00E-04
  #  (MHGPS) GEOPT  0034 0017 -1.70151402699703E+02 -5.04E-03  3.79E-01  1.08E+00  1.21E-03 010  4.74979E-01  4.00E-04
  #  (MHGPS) GEOPT  0035 0018 -1.70154965385525E+02 -3.56E-03  3.77E-01  1.07E+00  1.33E-03 010  4.83165E-01  4.00E-04
  #  (MHGPS) GEOPT  0036 0019 -1.70160271895138E+02 -5.31E-03  4.12E-01  1.14E+00  1.46E-03 011  4.95363E-01  4.00E-04
  #  (MHGPS) GEOPT  0037 0020 -1.70162845849191E+02 -2.57E-03  2.93E-01  9.26E-01  1.24E-03 011  5.02670E-01  4.00E-04
  #  (MHGPS) GEOPT  0038 0021 -1.70166057100364E+02 -3.21E-03  3.47E-01  1.02E+00  1.37E-03 012  5.12372E-01  4.00E-04
  #  (MHGPS) GEOPT  0039 0022 -1.70168232262760E+02 -2.18E-03  2.23E-01  8.18E-01  1.16E-03 012  5.19668E-01  4.00E-04
  #  (MHGPS) GEOPT  0040 0023 -1.70170292849455E+02 -2.06E-03  2.90E-01  8.97E-01  1.00E-03 013  5.26630E-01  4.00E-04
  #  (MHGPS) GEOPT  0041 0024 -1.70172825609003E+02 -2.53E-03  2.28E-01  7.50E-01  1.00E-03 013  5.36099E-01  4.00E-04
  #  (MHGPS) GEOPT  0042 0025 -1.70174399059532E+02 -1.57E-03  2.82E-01  7.94E-01  1.10E-03 014  5.42788E-01  4.00E-04
  #  (MHGPS) GEOPT  0043 0026 -1.70176773683143E+02 -2.37E-03  2.65E-01  7.14E-01  1.00E-03 014  5.52684E-01  4.00E-04
  #  (MHGPS) GEOPT  0044 0027 -1.70177590309461E+02 -8.17E-04  4.04E-01  7.92E-01  1.10E-03 015  5.56569E-01  4.00E-04
  #  (MHGPS) GEOPT  0045 0028 -1.70179641490203E+02 -2.05E-03  1.53E-01  4.89E-01  1.00E-03 015  5.65619E-01  4.00E-04
  #  (MHGPS) GEOPT  0046 0029 -1.70180209263718E+02 -5.68E-04  1.75E-01  4.83E-01  1.10E-03 016  5.69809E-01  4.00E-04
  #  (MHGPS) GEOPT  0047 0030 -1.70181825557487E+02 -1.62E-03  1.50E-01  4.56E-01  1.21E-03 016  5.81782E-01  4.00E-04
  #  (MHGPS) GEOPT  0048 0031 -1.70182315909467E+02 -4.90E-04  1.80E-01  5.25E-01  1.33E-03 017  5.90159E-01  4.00E-04
  #  (MHGPS) GEOPT  0049 0032 -1.70182579642839E+02 -2.64E-04  1.60E-01  4.54E-01  1.13E-03 017  5.97269E-01  4.00E-04
  #  (MHGPS) GEOPT  0050 0033 -1.70182923982358E+02 -3.44E-04  1.35E-01  4.24E-01  1.24E-03 018  6.02251E-01  4.00E-04
  #  (MHGPS) GEOPT  0051 0034 -1.70182982881654E+02 -5.89E-05  1.22E-01  3.68E-01  1.06E-03 018  6.05796E-01  4.00E-04
  #  (MHGPS) GEOPT  0052 0035 -1.70183289967777E+02 -3.07E-04  1.23E-01  3.39E-01  1.16E-03 018  6.10047E-01  4.00E-04
  #  (MHGPS) GEOPT  0053 0036 -1.70183453625027E+02 -1.64E-04  1.05E-01  3.10E-01  1.00E-03 018  6.13153E-01  4.00E-04
  #  (MHGPS) GEOPT  0054 0037 -1.70183599033258E+02 -1.45E-04  1.01E-01  2.92E-01  1.10E-03 018  6.16710E-01  4.00E-04
  #  (MHGPS) GEOPT  0055 0038 -1.70183728096350E+02 -1.29E-04  7.68E-02  2.44E-01  1.21E-03 018  6.19666E-01  4.00E-04
  #  (MHGPS) GEOPT  0056 0039 -1.70183760956555E+02 -3.29E-05  7.53E-02  2.22E-01  1.33E-03 018  6.21741E-01  4.00E-04
  #  (MHGPS) GEOPT  0057 0040 -1.70183875604352E+02 -1.15E-04  6.54E-02  1.99E-01  1.46E-03 019  6.23721E-01  4.00E-04
  #  (MHGPS) GEOPT  0058 0041 -1.70183919678180E+02 -4.41E-05  6.09E-02  1.82E-01  1.61E-03 019  6.25171E-01  4.00E-04
  #  (MHGPS) GEOPT  0059 0042 -1.70184026206997E+02 -1.07E-04  5.62E-02  1.51E-01  1.77E-03 020  6.26697E-01  4.00E-04
  #  (MHGPS) GEOPT  0060 0043 -1.70184119684481E+02 -9.35E-05  5.06E-02  1.40E-01  1.95E-03 020  6.28265E-01  4.00E-04
  #  (MHGPS) GEOPT  0061 0044 -1.70184233868656E+02 -1.14E-04  3.78E-02  1.18E-01  2.14E-03 020  6.30588E-01  4.00E-04
  #  (MHGPS) GEOPT  0062 0045 -1.70184291731808E+02 -5.79E-05  3.20E-02  1.05E-01  2.36E-03 020  6.31655E-01  4.00E-04
  #  (MHGPS) GEOPT  0063 0046 -1.70184363630127E+02 -7.19E-05  3.05E-02  1.07E-01  2.59E-03 021  6.33111E-01  4.00E-04
  #  (MHGPS) GEOPT  0064 0047 -1.70184403192325E+02 -3.96E-05  2.76E-02  7.96E-02  2.85E-03 021  6.33987E-01  4.00E-04
  #  (MHGPS) GEOPT  0065 0048 -1.70184451846789E+02 -4.87E-05  2.56E-02  7.68E-02  3.14E-03 021  6.35287E-01  4.00E-04
  #  (MHGPS) GEOPT  0066 0049 -1.70184489723100E+02 -3.79E-05  2.87E-02  7.09E-02  3.45E-03 022  6.36580E-01  4.00E-04
  #  (MHGPS) GEOPT  0067 0050 -1.70184514078101E+02 -2.44E-05  2.53E-02  6.31E-02  3.80E-03 021  6.37505E-01  4.00E-04
  #  (MHGPS) GEOPT  0068 0051 -1.70184534540765E+02 -2.05E-05  4.13E-02  7.54E-02  4.18E-03 021  6.38434E-01  4.00E-04
  #  (MHGPS) GEOPT  0069 0052 -1.70184550771025E+02 -1.62E-05  2.45E-02  5.09E-02  3.55E-03 022  6.39367E-01  4.00E-04
  #  (MHGPS) GEOPT  0070 0053 -1.70184558995805E+02 -8.22E-06  1.16E-02  3.21E-02  3.02E-03 022  6.39924E-01  4.00E-04
  #  (MHGPS) GEOPT  0071 0054 -1.70184564959918E+02 -5.96E-06  9.78E-03  2.62E-02  3.32E-03 022  6.40321E-01  4.00E-04
  #  (MHGPS) GEOPT  0072 0055 -1.70184569820008E+02 -4.86E-06  8.32E-03  2.31E-02  3.65E-03 023  6.40709E-01  4.00E-04
  #  (MHGPS) GEOPT  0073 0056 -1.70184574250758E+02 -4.43E-06  6.75E-03  2.10E-02  4.02E-03 023  6.41113E-01  4.00E-04
  #  (MHGPS) GEOPT  0074 0057 -1.70184577136941E+02 -2.89E-06  5.91E-03  1.93E-02  4.42E-03 022  6.41388E-01  4.00E-04
  #  (MHGPS) GEOPT  0075 0058 -1.70184580107543E+02 -2.97E-06  5.15E-03  1.76E-02  4.86E-03 023  6.41662E-01  4.00E-04
  #  (MHGPS) GEOPT  0076 0059 -1.70184582826877E+02 -2.72E-06  1.14E-02  2.01E-02  5.35E-03 024  6.41969E-01  4.00E-04
  #  (MHGPS) GEOPT  0077 0060 -1.70184584434567E+02 -1.61E-06  1.75E-02  2.77E-02  5.88E-03 024  6.42203E-01  4.00E-04
  #  (MHGPS) GEOPT  0078 0061 -1.70184585816807E+02 -1.38E-06  1.82E-02  2.85E-02  5.00E-03 024  6.42424E-01  4.00E-04
  #  (MHGPS) GEOPT  0079 0062 -1.70184587377905E+02 -1.56E-06  8.80E-03  1.81E-02  4.25E-03 024  6.42648E-01  4.00E-04
  #  (MHGPS) GEOPT  0080 0063 -1.70184588716878E+02 -1.34E-06  5.60E-03  1.01E-02  3.61E-03 024  6.42984E-01  4.00E-04
  #  (MHGPS) GEOPT  0081 0064 -1.70184589306750E+02 -5.90E-07  1.94E-03  6.76E-03  3.07E-03 024  6.43196E-01  4.00E-04
  #  (MHGPS) GEOPT  0082 0065 -1.70184589598774E+02 -2.92E-07  1.63E-03  5.01E-03  3.38E-03 025  6.43313E-01  4.00E-04
  #  (MHGPS) GEOPT  0083 0066 -1.70184589743494E+02 -1.45E-07  1.22E-03  4.18E-03  3.71E-03 024  6.43385E-01  4.00E-04
  #  (MHGPS) GEOPT  0084 0067 -1.70184589856586E+02 -1.13E-07  1.18E-03  3.36E-03  4.09E-03 024  6.43437E-01  4.00E-04
  #  (MHGPS) GEOPT  0085 0068 -1.70184589937981E+02 -8.14E-08  8.22E-04  2.81E-03  4.49E-03 024  6.43485E-01  4.00E-04
  #  (MHGPS) GEOPT  0086 0069 -1.70184589984525E+02 -4.65E-08  9.32E-04  2.52E-03  4.94E-03 024  6.43524E-01  4.00E-04
  #  (MHGPS) GEOPT  0087 0070 -1.70184590026945E+02 -4.24E-08  8.77E-04  2.21E-03  5.44E-03 025  6.43565E-01  4.00E-04
  #  (MHGPS) GEOPT  0088 0071 -1.70184590049949E+02 -2.30E-08  8.32E-04  2.45E-03  5.98E-03 025  6.43600E-01  4.00E-04
  #  (MHGPS) GEOPT  0089 0072 -1.70184590066063E+02 -1.61E-08  8.39E-04  1.85E-03  5.09E-03 025  6.43625E-01  4.00E-04
  #  (MHGPS) GEOPT  0090 0073 -1.70184590079362E+02 -1.33E-08  6.94E-04  1.38E-03  4.32E-03 025  6.43650E-01  4.00E-04
  #  (MHGPS) GEOPT  0091 0074 -1.70184590087585E+02 -8.22E-09  6.39E-04  1.25E-03  4.75E-03 025  6.43670E-01  4.00E-04
  #  (MHGPS) GEOPT  0092 0075 -1.70184590091907E+02 -4.32E-09  6.76E-04  1.17E-03  5.23E-03 025  6.43688E-01  4.00E-04
  #  (MHGPS) GEOPT  0093 0076 -1.70184590091188E+02  7.19E-10  6.65E-04  1.22E-03  5.75E-03 025  6.43707E-01  4.00E-04
  #  (MHGPS) GEOPT  0094 0077 -1.70184590086929E+02  4.26E-09  6.48E-04  1.36E-03  6.33E-03 025  6.43724E-01  4.00E-04
  #  (MHGPS) GEOPT  0095 0078 -1.70184590079366E+02  7.56E-09  7.35E-04  1.66E-03  5.38E-03 025  6.43744E-01  4.00E-04
  #  (MHGPS) GEOPT  0096 0079 -1.70184590070050E+02  9.32E-09  1.46E-03  2.31E-03  4.57E-03 024  6.43762E-01  4.00E-04
  #  (MHGPS) GEOPT  0097 0080 -1.70184590061810E+02  8.24E-09  1.22E-03  2.17E-03  3.89E-03 024  6.43784E-01  4.00E-04
  #  (MHGPS) GEOPT  0098 0081 -1.70184590061132E+02  6.78E-10  7.32E-04  1.62E-03  3.30E-03 024  6.43803E-01  4.00E-04
  #  (MHGPS) GEOPT  0099 0082 -1.70184590062096E+02 -9.64E-10  4.70E-04  1.13E-03  2.81E-03 024  6.43819E-01  4.00E-04
  #  (MHGPS) GEOPT  0100 0083 -1.70184590065232E+02 -3.14E-09  4.02E-04  8.57E-04  3.09E-03 025  6.43830E-01  4.00E-04
    #(MHGPS) tightening
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.34882878442122E-03
  #  (MHGPS) CUOPT minoverlap -2.00E+00
  #  (MHGPS) CUOPT  0101 0000 -3.01365112252897E+00  0.00E+00  2.66E+01  4.32E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0102 0001 -4.36664246791763E+00 -1.35E+00  1.29E+01  2.26E+01  1.00E-03 000  2.00E-04  9.99E-01  4.31827E-02  4.31525E-02
  #  (MHGPS) CUOPT  0103 0002 -4.92633337902277E+00 -5.60E-01  8.17E+00  1.60E+01  1.10E-03 001  2.00E-04  9.97E-01  7.69956E-02  7.69429E-02
  #  (MHGPS) CUOPT  0104 0003 -5.46241089341440E+00 -5.36E-01  5.35E+00  1.38E+01  1.21E-03 002  2.00E-04  9.94E-01  1.24475E-01  1.24418E-01
  #  (MHGPS) CUOPT  0105 0004 -5.87919488820297E+00 -4.17E-01  4.81E+00  1.20E+01  1.33E-03 003  2.00E-04  9.89E-01  1.67942E-01  1.67705E-01
  #  (MHGPS) CUOPT  0106 0005 -6.19971357416991E+00 -3.21E-01  3.90E+00  1.07E+01  1.46E-03 003  2.00E-04  9.84E-01  2.06129E-01  2.05826E-01
  #  (MHGPS) CUOPT  0107 0006 -6.58257286704368E+00 -3.83E-01  3.45E+00  9.25E+00  1.61E-03 004  2.00E-04  9.76E-01  2.57591E-01  2.57183E-01
  #  (MHGPS) CUOPT  0108 0007 -6.99979901273856E+00 -4.17E-01  3.17E+00  8.30E+00  1.77E-03 005  2.00E-04  9.60E-01  3.31662E-01  3.30957E-01
  #  (MHGPS) CUOPT  0109 0008 -7.29859206968350E+00 -2.99E-01  2.51E+00  7.57E+00  1.95E-03 005  2.00E-04  9.40E-01  4.06668E-01  4.05713E-01
  #  (MHGPS) CUOPT  0110 0009 -7.45498407307464E+00 -1.56E-01  2.47E+00  6.59E+00  2.14E-03 005  2.00E-04  9.29E-01  4.49317E-01  4.48327E-01
  #  (MHGPS) CUOPT  0111 0010 -7.55503790014124E+00 -1.00E-01  2.40E+00  6.61E+00  2.36E-03 005  2.00E-04  9.17E-01  4.86101E-01  4.84925E-01
  #  (MHGPS) CUOPT  0112 0011 -7.60658652665807E+00 -5.15E-02  5.95E+00  1.01E+01  2.59E-03 005  2.00E-04  9.10E-01  5.14125E-01  5.12937E-01
  #  (MHGPS) CUOPT  0113 0012 -7.67348478559067E+00 -6.69E-02  5.65E+00  8.22E+00  2.20E-03 005  2.00E-04  9.01E-01  5.44822E-01  5.43573E-01
  #  (MHGPS) CUOPT  0114 0013 -7.70852301620804E+00 -3.50E-02  3.53E+00  6.03E+00  1.87E-03 005  2.00E-04  8.97E-01  5.62744E-01  5.61484E-01
  #  (MHGPS) CUOPT  0115 0014 -7.74102021393652E+00 -3.25E-02  8.73E-01  2.40E+00  1.59E-03 005  2.00E-04  8.93E-01  5.80228E-01  5.78966E-01
   (MHGPS) minmode overlap               :  0.8930199275482988
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0116 0084 -1.70184590068200E+02 -2.97E-09  3.51E-04  7.20E-04  3.40E-03 025  6.43841E-01  4.00E-04
   (MHGPS) convergence at                :  116
  (MHGPS)ediff, fpdist  SS  8.1486281E-01  2.7640722E-02
    #............................................................ (MHGPS) Relax from left side
  #(MHGPS) COUNT  IT  GEOPT_METHOD  ENERGY                 DIFF       FMAX       FNRM      FRAC*FLUC FLUC      ADD. INFO
      0     0  (MHGPS) GEOPT_SQNM  -1.70184599020901E+02   0.00E+00  7.457E-03  1.19E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=0.0E+00 dsplr=0.00000E+00 dsplp=0.00000E+00
      1     1  (MHGPS) GEOPT_SQNM  -1.70184599162405E+02  -1.42E-07  7.532E-03  1.19E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=7.5E-06 dsplr=1.18938E-05 dsplp=1.18938E-05
      2     2  (MHGPS) GEOPT_SQNM  -1.70184601261584E+02  -2.10E-06  8.664E-03  1.71E-02  0.00E+00  0.00E+00   beta=1.10E-03 dim=001 maxd=1.1E-04 dsplr=1.86607E-04 dsplp=1.86607E-04
      3     3  (MHGPS) GEOPT_SQNM  -1.70184603760463E+02  -2.50E-06  9.818E-03  1.94E-02  0.00E+00  0.00E+00   beta=1.21E-03 dim=001 maxd=1.2E-04 dsplr=3.69490E-04 dsplp=3.69490E-04
      4     4  (MHGPS) GEOPT_SQNM  -1.70184623335045E+02  -1.96E-05  1.641E-02  2.69E-02  0.00E+00  0.00E+00   beta=1.33E-03 dim=002 maxd=6.7E-04 dsplr=1.43005E-03 dsplp=1.43005E-03
      5     5  (MHGPS) GEOPT_SQNM  -1.70184671239965E+02  -4.79E-05  2.673E-02  4.25E-02  0.00E+00  0.00E+00   beta=1.46E-03 dim=002 maxd=1.1E-03 dsplr=3.10442E-03 dsplp=3.10442E-03
      6     6  (MHGPS) GEOPT_SQNM  -1.70184804870828E+02  -1.34E-04  4.418E-02  6.79E-02  0.00E+00  0.00E+00   beta=1.61E-03 dim=002 maxd=1.9E-03 dsplr=6.01938E-03 dsplp=6.01938E-03
      7     7  (MHGPS) GEOPT_SQNM  -1.70185195139685E+02  -3.90E-04  7.398E-02  1.11E-01  0.00E+00  0.00E+00   beta=1.77E-03 dim=002 maxd=3.3E-03 dsplr=1.11567E-02 dsplp=1.11567E-02
      8     8  (MHGPS) GEOPT_SQNM  -1.70186370502794E+02  -1.18E-03  1.248E-01  1.85E-01  0.00E+00  0.00E+00   beta=1.95E-03 dim=002 maxd=5.8E-03 dsplr=2.02868E-02 dsplp=2.02868E-02
      9     9  (MHGPS) GEOPT_SQNM  -1.70189965730415E+02  -3.60E-03  2.090E-01  3.12E-01  0.00E+00  0.00E+00   beta=2.14E-03 dim=002 maxd=1.0E-02 dsplr=3.66218E-02 dsplp=3.66218E-02
     10    10  (MHGPS) GEOPT_SQNM  -1.70200775593217E+02  -1.08E-02  3.339E-01  5.30E-01  0.00E+00  0.00E+00   beta=2.36E-03 dim=002 maxd=1.9E-02 dsplr=6.58264E-02 dsplp=6.58264E-02
     11    11  (MHGPS) GEOPT_SQNM  -1.70229505647869E+02  -2.87E-02  4.564E-01  9.53E-01  0.00E+00  0.00E+00   beta=2.59E-03 dim=002 maxd=3.2E-02 dsplr=1.16351E-01 dsplp=1.16351E-01
     12    12  (MHGPS) GEOPT_SQNM  -1.70275090407874E+02  -4.56E-02  1.433E+00  2.03E+00  0.00E+00  0.00E+00   beta=2.85E-03 dim=002 maxd=4.6E-02 dsplr=1.88325E-01 dsplp=1.88325E-01
     13    13  (MHGPS) GEOPT_SQNM  -1.70283921421612E+02  -8.83E-03  5.860E-01  1.49E+00  0.00E+00  0.00E+00   beta=3.14E-03 dim=002 maxd=4.0E-03 dsplr=1.93998E-01 dsplp=1.93998E-01
     14    14  (MHGPS) GEOPT_SQNM  -1.70313459905087E+02  -2.95E-02  7.028E-01  1.61E+00  0.00E+00  0.00E+00   beta=3.45E-03 dim=002 maxd=2.2E-02 dsplr=2.30564E-01 dsplp=2.30564E-01
     15    15  (MHGPS) GEOPT_SQNM  -1.70329109129394E+02  -1.56E-02  6.346E-01  1.35E+00  0.00E+00  0.00E+00   beta=3.80E-03 dim=003 maxd=5.7E-03 dsplr=2.43322E-01 dsplp=2.43322E-01
     16    16  (MHGPS) GEOPT_SQNM  -1.70338832052718E+02  -9.72E-03  6.890E-01  1.31E+00  0.00E+00  0.00E+00   beta=4.18E-03 dim=004 maxd=4.0E-03 dsplr=2.52029E-01 dsplp=2.52029E-01
     17    17  (MHGPS) GEOPT_SQNM  -1.70354897756505E+02  -1.61E-02  7.933E-01  1.29E+00  0.00E+00  0.00E+00   beta=4.59E-03 dim=005 maxd=7.7E-03 dsplr=2.67275E-01 dsplp=2.67275E-01
     18    18  (MHGPS) GEOPT_SQNM  -1.70373858508752E+02  -1.90E-02  8.726E-01  1.37E+00  0.00E+00  0.00E+00   beta=5.05E-03 dim=006 maxd=9.7E-03 dsplr=2.85427E-01 dsplp=2.85427E-01
     19    19  (MHGPS) GEOPT_SQNM  -1.70401092450718E+02  -2.72E-02  9.610E-01  1.53E+00  0.00E+00  0.00E+00   beta=5.56E-03 dim=007 maxd=1.4E-02 dsplr=3.09905E-01 dsplp=3.09905E-01
     20    20  (MHGPS) GEOPT_SQNM  -1.70437844726510E+02  -3.68E-02  1.026E+00  1.67E+00  0.00E+00  0.00E+00   beta=6.12E-03 dim=008 maxd=1.7E-02 dsplr=3.40547E-01 dsplp=3.40547E-01
     21    21  (MHGPS) GEOPT_SQNM  -1.70474834097236E+02  -3.70E-02  1.060E+00  1.78E+00  0.00E+00  0.00E+00   beta=6.73E-03 dim=008 maxd=1.5E-02 dsplr=3.68458E-01 dsplp=3.68458E-01
     22    22  (MHGPS) GEOPT_SQNM  -1.70682119729091E+02  -2.07E-01  3.149E+00  4.66E+00  0.00E+00  0.00E+00   beta=7.40E-03 dim=008 maxd=1.0E-01 dsplr=5.32395E-01 dsplp=5.32395E-01
     23    23  (MHGPS) GEOPT_SQNM  -1.70744240130069E+02  -6.21E-02  2.533E+00  4.71E+00  0.00E+00  0.00E+00   beta=6.29E-03 dim=008 maxd=2.2E-02 dsplr=5.71383E-01 dsplp=5.71383E-01
     24    24  (MHGPS) GEOPT_SQNM  -1.70783873845312E+02  -3.96E-02  3.151E+00  5.99E+00  0.00E+00  0.00E+00   beta=5.35E-03 dim=008 maxd=2.0E-02 dsplr=6.03642E-01 dsplp=6.03642E-01
     25    25  (MHGPS) GEOPT_SQNM  -1.70886094120333E+02  -1.02E-01  3.330E+00  6.73E+00  0.00E+00  0.00E+00   beta=4.54E-03 dim=009 maxd=4.5E-02 dsplr=6.78554E-01 dsplp=6.78554E-01
     26    26  (MHGPS) GEOPT_SQNM  -1.70997374601719E+02  -1.11E-01  3.681E+00  6.31E+00  0.00E+00  0.00E+00   beta=3.86E-03 dim=009 maxd=2.2E-02 dsplr=7.28274E-01 dsplp=7.28274E-01
     27    27  (MHGPS) GEOPT_SQNM  -1.71109932238137E+02  -1.13E-01  1.545E+00  3.81E+00  0.00E+00  0.00E+00   beta=3.28E-03 dim=010 maxd=2.8E-02 dsplr=7.76112E-01 dsplp=7.76112E-01
     28    28  (MHGPS) GEOPT_SQNM  -1.71188066131154E+02  -7.81E-02  1.336E+00  3.43E+00  0.00E+00  0.00E+00   beta=3.61E-03 dim=010 maxd=2.4E-02 dsplr=8.14071E-01 dsplp=8.14071E-01
     29    29  (MHGPS) GEOPT_SQNM  -1.71257771557736E+02  -6.97E-02  1.407E+00  3.13E+00  0.00E+00  0.00E+00   beta=3.97E-03 dim=010 maxd=2.2E-02 dsplr=8.49736E-01 dsplp=8.49736E-01
     30    30  (MHGPS) GEOPT_SQNM  -1.71335738526416E+02  -7.80E-02  1.324E+00  3.02E+00  0.00E+00  0.00E+00   beta=4.37E-03 dim=010 maxd=3.3E-02 dsplr=9.03649E-01 dsplp=9.03649E-01
     31    31  (MHGPS) GEOPT_SQNM  -1.71374770398651E+02  -3.90E-02  1.440E+00  3.19E+00  0.00E+00  0.00E+00   beta=4.81E-03 dim=010 maxd=1.3E-02 dsplr=9.28697E-01 dsplp=9.28697E-01
     32    32  (MHGPS) GEOPT_SQNM  -1.71410915292862E+02  -3.61E-02  1.926E+00  3.73E+00  0.00E+00  0.00E+00   beta=5.29E-03 dim=010 maxd=1.6E-02 dsplr=9.56265E-01 dsplp=9.56265E-01
     33    33  (MHGPS) GEOPT_SQNM  -1.71451024602252E+02  -4.01E-02  1.854E+00  3.32E+00  0.00E+00  0.00E+00   beta=4.49E-03 dim=010 maxd=1.6E-02 dsplr=9.83595E-01 dsplp=9.83595E-01
     34    34  (MHGPS) GEOPT_SQNM  -1.71487124821990E+02  -3.61E-02  1.114E+00  2.87E+00  0.00E+00  0.00E+00   beta=3.82E-03 dim=010 maxd=1.7E-02 dsplr=1.01121E+00 dsplp=1.01121E+00
     35    35  (MHGPS) GEOPT_SQNM  -1.71524183070160E+02  -3.71E-02  1.144E+00  1.91E+00  0.00E+00  0.00E+00   beta=3.25E-03 dim=010 maxd=1.5E-02 dsplr=1.03537E+00 dsplp=1.03537E+00
     36    36  (MHGPS) GEOPT_SQNM  -1.71587121395486E+02  -6.29E-02  1.230E+00  2.18E+00  0.00E+00  0.00E+00   beta=3.57E-03 dim=010 maxd=3.3E-02 dsplr=1.08238E+00 dsplp=1.08238E+00
     37    37  (MHGPS) GEOPT_SQNM  -1.71681095441267E+02  -9.40E-02  1.435E+00  2.56E+00  0.00E+00  0.00E+00   beta=3.93E-03 dim=010 maxd=4.4E-02 dsplr=1.14467E+00 dsplp=1.14467E+00
     38    38  (MHGPS) GEOPT_SQNM  -1.71768474512408E+02  -8.74E-02  1.694E+00  3.19E+00  0.00E+00  0.00E+00   beta=4.32E-03 dim=010 maxd=3.2E-02 dsplr=1.19324E+00 dsplp=1.19324E+00
     39    39  (MHGPS) GEOPT_SQNM  -1.71989688071715E+02  -2.21E-01  1.808E+00  4.12E+00  0.00E+00  0.00E+00   beta=4.75E-03 dim=009 maxd=8.2E-02 dsplr=1.30684E+00 dsplp=1.30684E+00
     40    40  (MHGPS) GEOPT_SQNM  -1.72076979939893E+02  -8.73E-02  3.021E+00  5.46E+00  0.00E+00  0.00E+00   beta=5.23E-03 dim=009 maxd=2.7E-02 dsplr=1.34646E+00 dsplp=1.34646E+00
     41    41  (MHGPS) GEOPT_SQNM  -1.72142840269687E+02  -6.59E-02  5.322E+00  8.71E+00  0.00E+00  0.00E+00   beta=5.75E-03 dim=010 maxd=2.8E-02 dsplr=1.38972E+00 dsplp=1.38972E+00
     42    42  (MHGPS) GEOPT_SQNM  -1.72223954178785E+02  -8.11E-02  5.549E+00  9.86E+00  0.00E+00  0.00E+00   beta=4.89E-03 dim=010 maxd=1.9E-02 dsplr=1.43142E+00 dsplp=1.43142E+00
     43    43  (MHGPS) GEOPT_SQNM  -1.72335480415088E+02  -1.12E-01  3.495E+00  7.93E+00  0.00E+00  0.00E+00   beta=4.16E-03 dim=010 maxd=1.8E-02 dsplr=1.47275E+00 dsplp=1.47275E+00
     44    44  (MHGPS) GEOPT_SQNM  -1.72439433574307E+02  -1.04E-01  3.039E+00  6.26E+00  0.00E+00  0.00E+00   beta=3.53E-03 dim=010 maxd=2.2E-02 dsplr=1.51323E+00 dsplp=1.51323E+00
     45    45  (MHGPS) GEOPT_SQNM  -1.72536843965551E+02  -9.74E-02  1.395E+00  3.90E+00  0.00E+00  0.00E+00   beta=3.00E-03 dim=010 maxd=1.8E-02 dsplr=1.55053E+00 dsplp=1.55053E+00
     46    46  (MHGPS) GEOPT_SQNM  -1.72623179099509E+02  -8.63E-02  9.811E-01  2.96E+00  0.00E+00  0.00E+00   beta=3.30E-03 dim=010 maxd=1.7E-02 dsplr=1.58746E+00 dsplp=1.58746E+00
     47    47  (MHGPS) GEOPT_SQNM  -1.72696719110773E+02  -7.35E-02  1.102E+00  2.78E+00  0.00E+00  0.00E+00   beta=3.63E-03 dim=010 maxd=1.6E-02 dsplr=1.62385E+00 dsplp=1.62385E+00
     48    48  (MHGPS) GEOPT_SQNM  -1.72777435127295E+02  -8.07E-02  1.400E+00  2.70E+00  0.00E+00  0.00E+00   beta=4.00E-03 dim=010 maxd=2.6E-02 dsplr=1.68126E+00 dsplp=1.68126E+00
     49    49  (MHGPS) GEOPT_SQNM  -1.72812454052326E+02  -3.50E-02  1.333E+00  2.48E+00  0.00E+00  0.00E+00   beta=4.40E-03 dim=010 maxd=1.0E-02 dsplr=1.70753E+00 dsplp=1.70753E+00
     50    50  (MHGPS) GEOPT_SQNM  -1.72836727863617E+02  -2.43E-02  5.783E-01  1.67E+00  0.00E+00  0.00E+00   beta=4.84E-03 dim=010 maxd=6.4E-03 dsplr=1.72589E+00 dsplp=1.72589E+00
     51    51  (MHGPS) GEOPT_SQNM  -1.72849191488942E+02  -1.25E-02  1.167E+00  2.26E+00  0.00E+00  0.00E+00   beta=5.32E-03 dim=010 maxd=5.2E-03 dsplr=1.74132E+00 dsplp=1.74132E+00
     52    52  (MHGPS) GEOPT_SQNM  -1.72857034283773E+02  -7.84E-03  1.963E+00  3.08E+00  0.00E+00  0.00E+00   beta=4.52E-03 dim=010 maxd=5.1E-03 dsplr=1.75624E+00 dsplp=1.75624E+00
     53    53  (MHGPS) GEOPT_SQNM  -1.72865227459006E+02  -8.19E-03  1.494E+00  2.29E+00  0.00E+00  0.00E+00   beta=3.84E-03 dim=010 maxd=3.9E-03 dsplr=1.76814E+00 dsplp=1.76814E+00
     54    54  (MHGPS) GEOPT_SQNM  -1.72871745192911E+02  -6.52E-03  7.961E-01  1.15E+00  0.00E+00  0.00E+00   beta=3.27E-03 dim=010 maxd=3.5E-03 dsplr=1.77771E+00 dsplp=1.77771E+00
     55    55  (MHGPS) GEOPT_SQNM  -1.72874679009821E+02  -2.93E-03  4.067E-01  6.81E-01  0.00E+00  0.00E+00   beta=2.78E-03 dim=010 maxd=2.7E-03 dsplr=1.78517E+00 dsplp=1.78517E+00
     56    56  (MHGPS) GEOPT_SQNM  -1.72876266117501E+02  -1.59E-03  2.213E-01  4.42E-01  0.00E+00  0.00E+00   beta=2.36E-03 dim=010 maxd=2.8E-03 dsplr=1.79262E+00 dsplp=1.79262E+00
     57    57  (MHGPS) GEOPT_SQNM  -1.72876863278433E+02  -5.97E-04  1.151E-01  2.68E-01  0.00E+00  0.00E+00   beta=2.01E-03 dim=010 maxd=1.3E-03 dsplr=1.79600E+00 dsplp=1.79600E+00
     58    58  (MHGPS) GEOPT_SQNM  -1.72877287374121E+02  -4.24E-04  6.732E-02  2.14E-01  0.00E+00  0.00E+00   beta=2.21E-03 dim=010 maxd=1.4E-03 dsplr=1.79987E+00 dsplp=1.79987E+00
     59    59  (MHGPS) GEOPT_SQNM  -1.72877426934134E+02  -1.40E-04  6.297E-02  1.63E-01  0.00E+00  0.00E+00   beta=2.43E-03 dim=010 maxd=5.7E-04 dsplr=1.80140E+00 dsplp=1.80140E+00
     60    60  (MHGPS) GEOPT_SQNM  -1.72877537745686E+02  -1.11E-04  6.048E-02  1.30E-01  0.00E+00  0.00E+00   beta=2.67E-03 dim=010 maxd=5.1E-04 dsplr=1.80266E+00 dsplp=1.80266E+00
     61    61  (MHGPS) GEOPT_SQNM  -1.72877628754366E+02  -9.10E-05  2.592E-02  9.37E-02  0.00E+00  0.00E+00   beta=2.94E-03 dim=010 maxd=5.6E-04 dsplr=1.80417E+00 dsplp=1.80417E+00
     62    62  (MHGPS) GEOPT_SQNM  -1.72877655590952E+02  -2.68E-05  2.367E-02  7.84E-02  0.00E+00  0.00E+00   beta=3.23E-03 dim=009 maxd=2.1E-04 dsplr=1.80466E+00 dsplp=1.80466E+00
     63    63  (MHGPS) GEOPT_SQNM  -1.72877681631612E+02  -2.60E-05  4.492E-02  8.72E-02  0.00E+00  0.00E+00   beta=3.55E-03 dim=010 maxd=2.7E-04 dsplr=1.80535E+00 dsplp=1.80535E+00
     64    64  (MHGPS) GEOPT_SQNM  -1.72877699734677E+02  -1.81E-05  2.555E-02  5.83E-02  0.00E+00  0.00E+00   beta=3.02E-03 dim=010 maxd=1.8E-04 dsplr=1.80583E+00 dsplp=1.80583E+00
     65    65  (MHGPS) GEOPT_SQNM  -1.72877711370627E+02  -1.16E-05  1.377E-02  4.35E-02  0.00E+00  0.00E+00   beta=3.32E-03 dim=010 maxd=1.7E-04 dsplr=1.80629E+00 dsplp=1.80629E+00
     66    66  (MHGPS) GEOPT_SQNM  -1.72877717910682E+02  -6.54E-06  2.755E-02  4.84E-02  0.00E+00  0.00E+00   beta=3.66E-03 dim=010 maxd=1.4E-04 dsplr=1.80661E+00 dsplp=1.80661E+00
     67    67  (MHGPS) GEOPT_SQNM  -1.72877723503125E+02  -5.59E-06  2.520E-02  4.46E-02  0.00E+00  0.00E+00   beta=3.11E-03 dim=010 maxd=1.4E-04 dsplr=1.80693E+00 dsplp=1.80693E+00
     68    68  (MHGPS) GEOPT_SQNM  -1.72877728105877E+02  -4.60E-06  7.685E-03  2.28E-02  0.00E+00  0.00E+00   beta=2.64E-03 dim=010 maxd=1.2E-04 dsplr=1.80720E+00 dsplp=1.80720E+00
     69    69  (MHGPS) GEOPT_SQNM  -1.72877731169077E+02  -3.06E-06  5.361E-03  1.87E-02  0.00E+00  0.00E+00   beta=2.91E-03 dim=010 maxd=1.3E-04 dsplr=1.80748E+00 dsplp=1.80748E+00
     70    70  (MHGPS) GEOPT_SQNM  -1.72877733187119E+02  -2.02E-06  4.440E-03  1.57E-02  0.00E+00  0.00E+00   beta=3.20E-03 dim=010 maxd=9.7E-05 dsplr=1.80771E+00 dsplp=1.80771E+00
     71    71  (MHGPS) GEOPT_SQNM  -1.72877734218561E+02  -1.03E-06  6.242E-03  1.30E-02  0.00E+00  0.00E+00   beta=3.52E-03 dim=010 maxd=5.3E-05 dsplr=1.80784E+00 dsplp=1.80784E+00
     72    72  (MHGPS) GEOPT_SQNM  -1.72877734898882E+02  -6.80E-07  6.844E-03  1.33E-02  0.00E+00  0.00E+00   beta=3.87E-03 dim=010 maxd=4.1E-05 dsplr=1.80796E+00 dsplp=1.80796E+00
     73    73  (MHGPS) GEOPT_SQNM  -1.72877735327713E+02  -4.29E-07  1.155E-02  1.67E-02  0.00E+00  0.00E+00   beta=4.25E-03 dim=010 maxd=3.3E-05 dsplr=1.80805E+00 dsplp=1.80805E+00
     74    74  (MHGPS) GEOPT_SQNM  -1.72877735801290E+02  -4.74E-07  3.304E-03  8.80E-03  0.00E+00  0.00E+00   beta=3.62E-03 dim=010 maxd=3.2E-05 dsplr=1.80815E+00 dsplp=1.80815E+00
     75    75  (MHGPS) GEOPT_SQNM  -1.72877736058794E+02  -2.58E-07  1.234E-03  4.85E-03  0.00E+00  0.00E+00   beta=3.07E-03 dim=010 maxd=2.6E-05 dsplr=1.80822E+00 dsplp=1.80822E+00
     76    76  (MHGPS) GEOPT_SQNM  -1.72877736231587E+02  -1.73E-07  1.151E-03  3.78E-03  0.00E+00  0.00E+00   beta=3.38E-03 dim=010 maxd=2.3E-05 dsplr=1.80829E+00 dsplp=1.80829E+00
     77    77  (MHGPS) GEOPT_SQNM  -1.72877736305180E+02  -7.36E-08  7.854E-04  2.81E-03  0.00E+00  0.00E+00   beta=3.72E-03 dim=010 maxd=1.5E-05 dsplr=1.80833E+00 dsplp=1.80833E+00
     78    78  (MHGPS) GEOPT_SQNM  -1.72877736340798E+02  -3.56E-08  9.897E-04  2.66E-03  0.00E+00  0.00E+00   beta=4.09E-03 dim=010 maxd=7.5E-06 dsplr=1.80836E+00 dsplp=1.80836E+00
     79    79  (MHGPS) GEOPT_SQNM  -1.72877736360983E+02  -2.02E-08  2.254E-03  3.57E-03  0.00E+00  0.00E+00   beta=4.50E-03 dim=010 maxd=7.5E-06 dsplr=1.80837E+00 dsplp=1.80837E+00
     80    80  (MHGPS) GEOPT_SQNM  -1.72877736384416E+02  -2.34E-08  1.275E-03  2.17E-03  0.00E+00  0.00E+00   beta=3.83E-03 dim=010 maxd=7.7E-06 dsplr=1.80840E+00 dsplp=1.80840E+00
     81    81  (MHGPS) GEOPT_SQNM  -1.72877736394670E+02  -1.03E-08  4.510E-04  1.18E-03  0.00E+00  0.00E+00   beta=3.25E-03 dim=010 maxd=5.9E-06 dsplr=1.80841E+00 dsplp=1.80841E+00
     82    82  (MHGPS) GEOPT_SQNM  -1.72877736400066E+02  -5.40E-09  3.405E-04  9.26E-04  0.00E+00  0.00E+00   beta=3.58E-03 dim=010 maxd=4.4E-06 dsplr=1.80842E+00 dsplp=1.80842E+00
     83    83  (MHGPS) GEOPT_SQNM  -1.72877736404081E+02  -4.02E-09  5.937E-04  9.70E-04  0.00E+00  0.00E+00   beta=3.93E-03 dim=010 maxd=4.3E-06 dsplr=1.80843E+00 dsplp=1.80843E+00
     84    84  (MHGPS) GEOPT_SQNM  -1.72877736406468E+02  -2.39E-09  5.435E-04  9.67E-04  0.00E+00  0.00E+00   beta=4.33E-03 dim=010 maxd=2.8E-06 dsplr=1.80844E+00 dsplp=1.80844E+00
     85    85  (MHGPS) GEOPT_SQNM  -1.72877736408670E+02  -2.20E-09  1.522E-04  4.84E-04  0.00E+00  0.00E+00   beta=3.68E-03 dim=010 maxd=2.8E-06 dsplr=1.80844E+00 dsplp=1.80844E+00
     86    86  (MHGPS) GEOPT_SQNM  -1.72877736409915E+02  -1.25E-09  1.146E-04  3.20E-04  0.00E+00  0.00E+00   beta=4.05E-03 dim=010 maxd=2.3E-06 dsplr=1.80845E+00 dsplp=1.80845E+00
  (MHGPS) SQNM converged at iteration  86. Needed energy calls:  86
  (MHGPS)ediff, fpdist  MS  2.6931463E+00  3.0881602E-02
    #........................................................... (MHGPS) Relax from right side
  #(MHGPS) COUNT  IT  GEOPT_METHOD  ENERGY                 DIFF       FMAX       FNRM      FRAC*FLUC FLUC      ADD. INFO
      0     0  (MHGPS) GEOPT_SQNM  -1.70184598829219E+02   0.00E+00  7.490E-03  1.18E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=0.0E+00 dsplr=0.00000E+00 dsplp=0.00000E+00
      1     1  (MHGPS) GEOPT_SQNM  -1.70184598969295E+02  -1.40E-07  7.561E-03  1.19E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=7.5E-06 dsplr=1.18381E-05 dsplp=1.18381E-05
      2     2  (MHGPS) GEOPT_SQNM  -1.70184600873727E+02  -1.90E-06  8.665E-03  1.68E-02  0.00E+00  0.00E+00   beta=1.10E-03 dim=001 maxd=1.0E-04 dsplr=1.72853E-04 dsplp=1.72853E-04
      3     3  (MHGPS) GEOPT_SQNM  -1.70184603087110E+02  -2.21E-06  9.808E-03  1.91E-02  0.00E+00  0.00E+00   beta=1.21E-03 dim=001 maxd=1.1E-04 dsplr=3.38444E-04 dsplp=3.38444E-04
      4     4  (MHGPS) GEOPT_SQNM  -1.70184618754352E+02  -1.57E-05  1.573E-02  2.60E-02  0.00E+00  0.00E+00   beta=1.33E-03 dim=002 maxd=5.7E-04 dsplr=1.23362E-03 dsplp=1.23362E-03
      5     5  (MHGPS) GEOPT_SQNM  -1.70184653720006E+02  -3.50E-05  2.452E-02  3.86E-02  0.00E+00  0.00E+00   beta=1.46E-03 dim=002 maxd=8.7E-04 dsplr=2.58550E-03 dsplp=2.58550E-03
      6     6  (MHGPS) GEOPT_SQNM  -1.70184746212374E+02  -9.25E-05  3.901E-02  5.92E-02  0.00E+00  0.00E+00   beta=1.61E-03 dim=002 maxd=1.5E-03 dsplr=4.91082E-03 dsplp=4.91082E-03
      7     7  (MHGPS) GEOPT_SQNM  -1.70185003859730E+02  -2.58E-04  6.352E-02  9.43E-02  0.00E+00  0.00E+00   beta=1.77E-03 dim=002 maxd=2.6E-03 dsplr=8.94175E-03 dsplp=8.94175E-03
      8     8  (MHGPS) GEOPT_SQNM  -1.70185750791863E+02  -7.47E-04  1.056E-01  1.55E-01  0.00E+00  0.00E+00   beta=1.95E-03 dim=002 maxd=4.5E-03 dsplr=1.59799E-02 dsplp=1.59799E-02
      9     9  (MHGPS) GEOPT_SQNM  -1.70187984856719E+02  -2.23E-03  1.786E-01  2.64E-01  0.00E+00  0.00E+00   beta=2.14E-03 dim=002 maxd=8.0E-03 dsplr=2.83682E-02 dsplp=2.83682E-02
     10    10  (MHGPS) GEOPT_SQNM  -1.70194801148760E+02  -6.82E-03  3.038E-01  4.60E-01  0.00E+00  0.00E+00   beta=2.36E-03 dim=002 maxd=1.4E-02 dsplr=5.03266E-02 dsplp=5.03266E-02
     11    11  (MHGPS) GEOPT_SQNM  -1.70215454063230E+02  -2.07E-02  5.058E-01  8.35E-01  0.00E+00  0.00E+00   beta=2.59E-03 dim=002 maxd=2.5E-02 dsplr=8.92677E-02 dsplp=8.92677E-02
     12    12  (MHGPS) GEOPT_SQNM  -1.70277955502915E+02  -6.25E-02  8.182E-01  1.68E+00  0.00E+00  0.00E+00   beta=2.85E-03 dim=003 maxd=4.7E-02 dsplr=1.61855E-01 dsplp=1.61855E-01
     13    13  (MHGPS) GEOPT_SQNM  -1.70308445785885E+02  -3.05E-02  9.039E-01  1.89E+00  0.00E+00  0.00E+00   beta=3.14E-03 dim=002 maxd=1.7E-02 dsplr=1.88160E-01 dsplp=1.88160E-01
     14    14  (MHGPS) GEOPT_SQNM  -1.70320755449044E+02  -1.23E-02  9.753E-01  1.65E+00  0.00E+00  0.00E+00   beta=3.45E-03 dim=003 maxd=3.8E-03 dsplr=1.95637E-01 dsplp=1.95637E-01
     15    15  (MHGPS) GEOPT_SQNM  -1.70398585051884E+02  -7.78E-02  1.065E+00  2.22E+00  0.00E+00  0.00E+00   beta=3.80E-03 dim=003 maxd=3.7E-02 dsplr=2.51097E-01 dsplp=2.51097E-01
     16    16  (MHGPS) GEOPT_SQNM  -1.70472876422401E+02  -7.43E-02  1.384E+00  2.51E+00  0.00E+00  0.00E+00   beta=4.18E-03 dim=004 maxd=2.7E-02 dsplr=2.95514E-01 dsplp=2.95514E-01
     17    17  (MHGPS) GEOPT_SQNM  -1.70657983723021E+02  -1.85E-01  2.200E+00  4.67E+00  0.00E+00  0.00E+00   beta=4.59E-03 dim=004 maxd=9.6E-02 dsplr=4.41612E-01 dsplp=4.41612E-01
     18    18  (MHGPS) GEOPT_SQNM  -1.70737249061564E+02  -7.93E-02  1.594E+00  3.53E+00  0.00E+00  0.00E+00   beta=3.91E-03 dim=005 maxd=1.8E-02 dsplr=4.75138E-01 dsplp=4.75138E-01
     19    19  (MHGPS) GEOPT_SQNM  -1.70773628215933E+02  -3.64E-02  2.894E+00  4.58E+00  0.00E+00  0.00E+00   beta=4.30E-03 dim=006 maxd=1.5E-02 dsplr=4.99969E-01 dsplp=4.99969E-01
     20    20  (MHGPS) GEOPT_SQNM  -1.70817694989798E+02  -4.41E-02  1.766E+00  2.77E+00  0.00E+00  0.00E+00   beta=3.65E-03 dim=007 maxd=1.5E-02 dsplr=5.25235E-01 dsplp=5.25235E-01
     21    21  (MHGPS) GEOPT_SQNM  -1.70840719510836E+02  -2.30E-02  6.938E-01  1.63E+00  0.00E+00  0.00E+00   beta=3.10E-03 dim=008 maxd=1.2E-02 dsplr=5.44699E-01 dsplp=5.44699E-01
     22    22  (MHGPS) GEOPT_SQNM  -1.70851637569256E+02  -1.09E-02  5.207E-01  1.26E+00  0.00E+00  0.00E+00   beta=3.41E-03 dim=009 maxd=6.8E-03 dsplr=5.56510E-01 dsplp=5.56510E-01
     23    23  (MHGPS) GEOPT_SQNM  -1.70859596272897E+02  -7.96E-03  7.007E-01  1.20E+00  0.00E+00  0.00E+00   beta=3.76E-03 dim=009 maxd=7.3E-03 dsplr=5.67951E-01 dsplp=5.67951E-01
     24    24  (MHGPS) GEOPT_SQNM  -1.70864235875026E+02  -4.64E-03  6.916E-01  1.30E+00  0.00E+00  0.00E+00   beta=4.13E-03 dim=010 maxd=4.5E-03 dsplr=5.77388E-01 dsplp=5.77388E-01
     25    25  (MHGPS) GEOPT_SQNM  -1.70867884527797E+02  -3.65E-03  2.441E-01  7.37E-01  0.00E+00  0.00E+00   beta=3.51E-03 dim=010 maxd=2.3E-03 dsplr=5.83311E-01 dsplp=5.83311E-01
     26    26  (MHGPS) GEOPT_SQNM  -1.70870746359288E+02  -2.86E-03  1.808E-01  5.33E-01  0.00E+00  0.00E+00   beta=3.86E-03 dim=010 maxd=2.2E-03 dsplr=5.89218E-01 dsplp=5.89218E-01
     27    27  (MHGPS) GEOPT_SQNM  -1.70873372432085E+02  -2.63E-03  2.595E-01  5.28E-01  0.00E+00  0.00E+00   beta=4.25E-03 dim=010 maxd=3.3E-03 dsplr=5.97046E-01 dsplp=5.97046E-01
     28    28  (MHGPS) GEOPT_SQNM  -1.70875095810504E+02  -1.72E-03  5.134E-01  7.65E-01  0.00E+00  0.00E+00   beta=4.67E-03 dim=010 maxd=4.2E-03 dsplr=6.06414E-01 dsplp=6.06414E-01
     29    29  (MHGPS) GEOPT_SQNM  -1.70875988177861E+02  -8.92E-04  3.498E-01  6.01E-01  0.00E+00  0.00E+00   beta=3.97E-03 dim=010 maxd=1.7E-03 dsplr=6.10388E-01 dsplp=6.10388E-01
     30    30  (MHGPS) GEOPT_SQNM  -1.70876920385875E+02  -9.32E-04  1.425E-01  3.11E-01  0.00E+00  0.00E+00   beta=3.38E-03 dim=010 maxd=2.6E-03 dsplr=6.15591E-01 dsplp=6.15591E-01
     31    31  (MHGPS) GEOPT_SQNM  -1.70877372338836E+02  -4.52E-04  1.259E-01  2.46E-01  0.00E+00  0.00E+00   beta=3.71E-03 dim=010 maxd=1.9E-03 dsplr=6.18797E-01 dsplp=6.18797E-01
     32    32  (MHGPS) GEOPT_SQNM  -1.70877831978288E+02  -4.60E-04  1.008E-01  2.05E-01  0.00E+00  0.00E+00   beta=4.09E-03 dim=010 maxd=2.4E-03 dsplr=6.22477E-01 dsplp=6.22477E-01
     33    33  (MHGPS) GEOPT_SQNM  -1.70878247043223E+02  -4.15E-04  8.814E-02  2.27E-01  0.00E+00  0.00E+00   beta=4.49E-03 dim=010 maxd=2.9E-03 dsplr=6.26752E-01 dsplp=6.26752E-01
     34    34  (MHGPS) GEOPT_SQNM  -1.70878400742659E+02  -1.54E-04  1.925E-01  3.58E-01  0.00E+00  0.00E+00   beta=4.94E-03 dim=010 maxd=1.6E-03 dsplr=6.29095E-01 dsplp=6.29095E-01
     35    35  (MHGPS) GEOPT_SQNM  -1.70878580897638E+02  -1.80E-04  2.309E-01  3.61E-01  0.00E+00  0.00E+00   beta=4.20E-03 dim=010 maxd=1.7E-03 dsplr=6.31775E-01 dsplp=6.31775E-01
     36    36  (MHGPS) GEOPT_SQNM  -1.70878724750354E+02  -1.44E-04  1.693E-01  2.48E-01  0.00E+00  0.00E+00   beta=3.57E-03 dim=010 maxd=1.2E-03 dsplr=6.33550E-01 dsplp=6.33550E-01
     37    37  (MHGPS) GEOPT_SQNM  -1.70878821005500E+02  -9.63E-05  1.224E-01  1.84E-01  0.00E+00  0.00E+00   beta=3.04E-03 dim=010 maxd=1.2E-03 dsplr=6.35246E-01 dsplp=6.35246E-01
     38    38  (MHGPS) GEOPT_SQNM  -1.70878889518162E+02  -6.85E-05  5.360E-02  1.20E-01  0.00E+00  0.00E+00   beta=2.58E-03 dim=010 maxd=1.0E-03 dsplr=6.36699E-01 dsplp=6.36699E-01
     39    39  (MHGPS) GEOPT_SQNM  -1.70878935116382E+02  -4.56E-05  3.118E-02  9.11E-02  0.00E+00  0.00E+00   beta=2.19E-03 dim=010 maxd=6.5E-04 dsplr=6.37632E-01 dsplp=6.37632E-01
     40    40  (MHGPS) GEOPT_SQNM  -1.70878976955749E+02  -4.18E-05  2.508E-02  8.17E-02  0.00E+00  0.00E+00   beta=2.41E-03 dim=010 maxd=8.4E-04 dsplr=6.38791E-01 dsplp=6.38791E-01
     41    41  (MHGPS) GEOPT_SQNM  -1.70879006914669E+02  -3.00E-05  2.059E-02  6.99E-02  0.00E+00  0.00E+00   beta=2.65E-03 dim=010 maxd=6.7E-04 dsplr=6.39709E-01 dsplp=6.39709E-01
     42    42  (MHGPS) GEOPT_SQNM  -1.70879035003079E+02  -2.81E-05  1.786E-02  6.04E-02  0.00E+00  0.00E+00   beta=2.92E-03 dim=010 maxd=5.2E-04 dsplr=6.40561E-01 dsplp=6.40561E-01
     43    43  (MHGPS) GEOPT_SQNM  -1.70879053449504E+02  -1.84E-05  1.549E-02  4.70E-02  0.00E+00  0.00E+00   beta=3.21E-03 dim=010 maxd=4.0E-04 dsplr=6.41211E-01 dsplp=6.41211E-01
     44    44  (MHGPS) GEOPT_SQNM  -1.70879066441263E+02  -1.30E-05  1.409E-02  4.07E-02  0.00E+00  0.00E+00   beta=3.53E-03 dim=010 maxd=3.6E-04 dsplr=6.41788E-01 dsplp=6.41788E-01
     45    45  (MHGPS) GEOPT_SQNM  -1.70879077033529E+02  -1.06E-05  1.789E-02  3.98E-02  0.00E+00  0.00E+00   beta=3.89E-03 dim=010 maxd=3.0E-04 dsplr=6.42307E-01 dsplp=6.42307E-01
     46    46  (MHGPS) GEOPT_SQNM  -1.70879083822061E+02  -6.79E-06  1.823E-02  3.35E-02  0.00E+00  0.00E+00   beta=4.28E-03 dim=010 maxd=2.6E-04 dsplr=6.42730E-01 dsplp=6.42730E-01
     47    47  (MHGPS) GEOPT_SQNM  -1.70879086695084E+02  -2.87E-06  3.791E-02  5.20E-02  0.00E+00  0.00E+00   beta=4.70E-03 dim=010 maxd=2.1E-04 dsplr=6.43086E-01 dsplp=6.43086E-01
     48    48  (MHGPS) GEOPT_SQNM  -1.70879087582466E+02  -8.87E-07  4.261E-02  6.18E-02  0.00E+00  0.00E+00   beta=4.00E-03 dim=010 maxd=1.0E-04 dsplr=6.43307E-01 dsplp=6.43307E-01
     49    49  (MHGPS) GEOPT_SQNM  -1.70879090933279E+02  -3.35E-06  9.426E-03  2.05E-02  0.00E+00  0.00E+00   beta=3.40E-03 dim=010 maxd=1.2E-04 dsplr=6.43527E-01 dsplp=6.43527E-01
     50    50  (MHGPS) GEOPT_SQNM  -1.70879091846912E+02  -9.14E-07  7.697E-03  1.26E-02  0.00E+00  0.00E+00   beta=2.89E-03 dim=010 maxd=5.8E-05 dsplr=6.43661E-01 dsplp=6.43661E-01
     51    51  (MHGPS) GEOPT_SQNM  -1.70879092176909E+02  -3.30E-07  4.641E-03  8.48E-03  0.00E+00  0.00E+00   beta=2.45E-03 dim=010 maxd=3.0E-05 dsplr=6.43733E-01 dsplp=6.43733E-01
     52    52  (MHGPS) GEOPT_SQNM  -1.70879092408883E+02  -2.32E-07  1.592E-03  4.75E-03  0.00E+00  0.00E+00   beta=2.09E-03 dim=010 maxd=3.2E-05 dsplr=6.43809E-01 dsplp=6.43809E-01
     53    53  (MHGPS) GEOPT_SQNM  -1.70879092529656E+02  -1.21E-07  1.477E-03  3.58E-03  0.00E+00  0.00E+00   beta=2.30E-03 dim=010 maxd=1.9E-05 dsplr=6.43860E-01 dsplp=6.43860E-01
     54    54  (MHGPS) GEOPT_SQNM  -1.70879092567529E+02  -3.79E-08  1.161E-03  2.72E-03  0.00E+00  0.00E+00   beta=2.52E-03 dim=010 maxd=7.9E-06 dsplr=6.43880E-01 dsplp=6.43880E-01
     55    55  (MHGPS) GEOPT_SQNM  -1.70879092605959E+02  -3.84E-08  7.223E-04  2.29E-03  0.00E+00  0.00E+00   beta=2.78E-03 dim=010 maxd=1.2E-05 dsplr=6.43905E-01 dsplp=6.43905E-01
     56    56  (MHGPS) GEOPT_SQNM  -1.70879092625949E+02  -2.00E-08  4.890E-04  1.65E-03  0.00E+00  0.00E+00   beta=3.06E-03 dim=009 maxd=7.1E-06 dsplr=6.43920E-01 dsplp=6.43920E-01
     57    57  (MHGPS) GEOPT_SQNM  -1.70879092641934E+02  -1.60E-08  4.350E-04  1.26E-03  0.00E+00  0.00E+00   beta=3.36E-03 dim=009 maxd=8.4E-06 dsplr=6.43937E-01 dsplp=6.43937E-01
     58    58  (MHGPS) GEOPT_SQNM  -1.70879092650699E+02  -8.76E-09  2.944E-04  9.41E-04  0.00E+00  0.00E+00   beta=3.70E-03 dim=010 maxd=5.7E-06 dsplr=6.43950E-01 dsplp=6.43950E-01
     59    59  (MHGPS) GEOPT_SQNM  -1.70879092654415E+02  -3.72E-09  2.054E-04  6.72E-04  0.00E+00  0.00E+00   beta=4.07E-03 dim=010 maxd=2.6E-06 dsplr=6.43957E-01 dsplp=6.43957E-01
     60    60  (MHGPS) GEOPT_SQNM  -1.70879092656438E+02  -2.02E-09  4.652E-04  7.61E-04  0.00E+00  0.00E+00   beta=4.47E-03 dim=009 maxd=2.7E-06 dsplr=6.43963E-01 dsplp=6.43963E-01
  (MHGPS) SQNM converged at iteration  60. Needed energy calls:  60
  (MHGPS)ediff, fpdist  MS  6.9450259E-01  1.9748825E-02
  (MHGPS)ediff, fpdist  MM  2.6194016E-09  5.4767287E-07
  (MHGPS)ediff, fpdist  MM  3.7159964E-09  6.1355205E-07
  (MHGPS)ediff, fpdist  MM  1.9986437E+00  3.6670275E-02
  (MHGPS)ediff, fpdist  MM  1.9986438E+00  3.6670296E-02
  (MHGPS) connection check connected-1.72877736409914831E+02 -1.70879092656438388E+02
   (MHGPS) succesfully connected, intermediate transition states:  2
    #------------ (MHGPS) Connect ioput001/posacc_00002.xyz and ioput001/posacc_00003.xyz ....
    #(MHGPS) nsad:0; connect minima with following energies
    #(MHGPS) -170.8790926601544 and
    #(MHGPS) -169.5174535933274
  (MHGPS)ediff, fpdist  MM  1.3616391E+00  2.6519085E-02
    #-------------------------------------------------- (MHGPS) Generating TS input guess ....
    #(MHGPS) entering grow_freezstring
     (MHGPS) 001  2.115E+01 -1.691E+02  2.840E+01 -1.678E+02
     (MHGPS) 001  3.439E+01 -1.666E+02  4.265E+01 -1.657E+02
     (MHGPS) 001  2.912E+01 -1.652E+02  3.171E+01 -1.646E+02
     (MHGPS) 001  2.416E+01 -1.645E+02  2.709E+01 -1.641E+02
     (MHGPS) 001  1.946E+01 -1.643E+02  2.000E+01 -1.642E+02
   (MHGPS) No. Energy evaluations for TS guess:  20.0
    #-------------------------------------------------------- (MHGPS) Start Saddle Search ....
    #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    ndim dspl         alpha_strtch
     (MHGPS) GEOPT  0001 0000 -1.64553596599100E+02  0.00E+00  8.87E+00  1.48E+01  1.00E-03 000  0.00000E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.42489603209603E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0002 0000 -2.98132907151761E+01  0.00E+00  5.05E+01  8.27E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0003 0001 -3.42207323710245E+01 -4.41E+00  2.40E+01  3.30E+01  1.00E-03 000  2.00E-04  9.97E-01  8.27028E-02  8.24916E-02
  #  (MHGPS) CUOPT  0004 0002 -3.51750636855412E+01 -9.54E-01  1.02E+01  1.99E+01  1.10E-03 001  2.00E-04  9.93E-01  1.23259E-01  1.23013E-01
  #  (MHGPS) CUOPT  0005 0003 -3.56669958996066E+01 -4.92E-01  6.57E+00  1.49E+01  1.21E-03 002  2.00E-04  9.90E-01  1.54487E-01  1.54224E-01
  #  (MHGPS) CUOPT  0006 0004 -3.61122640982917E+01 -4.45E-01  4.62E+00  1.17E+01  1.33E-03 003  2.00E-04  9.86E-01  1.94812E-01  1.94522E-01
  #  (MHGPS) CUOPT  0007 0005 -3.64622174853821E+01 -3.50E-01  3.13E+00  9.03E+00  1.46E-03 004  2.00E-04  9.80E-01  2.43068E-01  2.42710E-01
  #  (MHGPS) CUOPT  0008 0006 -3.66241644746957E+01 -1.62E-01  1.85E+00  5.33E+00  1.61E-03 005  2.00E-04  9.75E-01  2.78689E-01  2.78297E-01
  #  (MHGPS) CUOPT  0009 0007 -3.66658058825127E+01 -4.16E-02  2.45E+00  4.33E+00  1.77E-03 005  2.00E-04  9.72E-01  2.94602E-01  2.94196E-01
   (MHGPS) minmode overlap               :  0.9717855918750058
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0010 0001 -1.64749017719995E+02 -1.95E-01  7.02E+00  1.20E+01  1.00E-03 000  1.47772E-02  4.00E-04
  #  (MHGPS) GEOPT  0011 0002 -1.65157691211273E+02 -4.09E-01  2.87E+00  7.16E+00  1.10E-03 001  6.69559E-02  4.00E-04
  #  (MHGPS) GEOPT  0012 0003 -1.65240091066620E+02 -8.24E-02  2.72E+00  6.27E+00  1.21E-03 002  8.18168E-02  4.00E-04
  #  (MHGPS) GEOPT  0013 0004 -1.65439312127886E+02 -1.99E-01  2.85E+00  5.93E+00  1.33E-03 003  1.24516E-01  4.00E-04
  #  (MHGPS) GEOPT  0014 0005 -1.65517800501118E+02 -7.85E-02  2.86E+00  5.71E+00  1.46E-03 003  1.79379E-01  4.00E-04
  #  (MHGPS) GEOPT  0015 0006 -1.65653270580307E+02 -1.35E-01  3.39E+00  6.31E+00  1.61E-03 004  2.30080E-01  4.00E-04
  #  (MHGPS) GEOPT  0016 0007 -1.65794489323562E+02 -1.41E-01  3.72E+00  6.95E+00  1.77E-03 004  2.83797E-01  4.00E-04
  #  (MHGPS) GEOPT  0017 0008 -1.66072362212175E+02 -2.78E-01  4.64E+00  8.49E+00  1.95E-03 005  3.47201E-01  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.43021825767390E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0018 0000 -8.59024915201994E+00  0.00E+00  8.45E+01  1.18E+02  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0019 0001 -1.77395204588659E+01 -9.15E+00  2.79E+01  4.89E+01  1.00E-03 000  2.00E-04  9.93E-01  1.17630E-01  1.17025E-01
  #  (MHGPS) CUOPT  0020 0002 -1.97856948429719E+01 -2.05E+00  1.68E+01  2.93E+01  1.10E-03 000  2.00E-04  9.87E-01  1.71420E-01  1.70757E-01
  #  (MHGPS) CUOPT  0021 0003 -2.06276321702386E+01 -8.42E-01  1.08E+01  1.92E+01  1.21E-03 000  2.00E-04  9.82E-01  2.06899E-01  2.06219E-01
  #  (MHGPS) CUOPT  0022 0004 -2.10307128930233E+01 -4.03E-01  7.11E+00  1.35E+01  1.33E-03 000  2.00E-04  9.78E-01  2.32502E-01  2.31816E-01
  #  (MHGPS) CUOPT  0023 0005 -2.12444678479535E+01 -2.14E-01  5.11E+00  1.08E+01  1.46E-03 000  2.00E-04  9.75E-01  2.52334E-01  2.51645E-01
  #  (MHGPS) CUOPT  0024 0006 -2.13619422686713E+01 -1.17E-01  6.13E+00  1.17E+01  1.61E-03 000  2.00E-04  9.73E-01  2.69776E-01  2.69085E-01
  #  (MHGPS) CUOPT  0025 0007 -2.16319224342939E+01 -2.70E-01  2.48E+00  4.97E+00  1.77E-03 005  2.00E-04  9.66E-01  3.18424E-01  3.17710E-01
   (MHGPS) minmode overlap               :  0.9663130213550695
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0026 0009 -1.66328221358505E+02 -2.56E-01  4.36E+00  7.64E+00  2.14E-03 005  4.12281E-01  4.00E-04
   (MHGPS) resize step                   :  6.4513884461727886E-002
  #  (MHGPS) GEOPT  0027 0010 -1.66562535318119E+02 -2.34E-01  4.62E+00  8.01E+00  2.36E-03 006  4.55986E-01  4.00E-04
   (MHGPS) resize step                   :  0.1007191786615416
  #  (MHGPS) GEOPT  0028 0011 -1.66822816415645E+02 -2.60E-01  4.88E+00  7.87E+00  2.59E-03 007  5.00005E-01  4.00E-04
   (MHGPS) resize step                   :  0.119072176322768
  #  (MHGPS) GEOPT  0029 0012 -1.67036485683664E+02 -2.14E-01  5.04E+00  8.15E+00  2.85E-03 007  5.39662E-01  4.00E-04
  #  (MHGPS) GEOPT  0030 0013 -1.67267301932909E+02 -2.31E-01  4.64E+00  7.97E+00  3.14E-03 008  6.00385E-01  4.00E-04
   (MHGPS) resize step                   :  9.1807471152803341E-002
  #  (MHGPS) GEOPT  0031 0014 -1.67440188196605E+02 -1.73E-01  4.85E+00  8.80E+00  3.45E-03 008  6.36031E-01  4.00E-04
   (MHGPS) resize step                   :  5.1581192031505949E-002
  #  (MHGPS) GEOPT  0032 0015 -1.67661439108466E+02 -2.21E-01  4.94E+00  8.42E+00  3.80E-03 009  6.68799E-01  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.30273181326713E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0033 0000  5.40619304148315E+00  0.00E+00  7.27E+01  1.20E+02  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0034 0001 -4.85436710654857E+00 -1.03E+01  3.45E+01  5.96E+01  1.00E-03 000  2.00E-04  9.93E-01  1.19931E-01  1.19290E-01
  #  (MHGPS) CUOPT  0035 0002 -7.97408563331437E+00 -3.12E+00  2.04E+01  3.83E+01  1.10E-03 000  2.00E-04  9.84E-01  1.85517E-01  1.84771E-01
  #  (MHGPS) CUOPT  0036 0003 -9.48582195296296E+00 -1.51E+00  1.48E+01  2.80E+01  1.21E-03 000  2.00E-04  9.77E-01  2.31834E-01  2.31051E-01
  #  (MHGPS) CUOPT  0037 0004 -1.04033309813419E+01 -9.18E-01  1.08E+01  2.18E+01  1.33E-03 000  2.00E-04  9.70E-01  2.69121E-01  2.68318E-01
  #  (MHGPS) CUOPT  0038 0005 -1.10237128149902E+01 -6.20E-01  9.46E+00  1.79E+01  1.46E-03 000  2.00E-04  9.64E-01  3.01093E-01  3.00278E-01
  #  (MHGPS) CUOPT  0039 0006 -1.14718343166018E+01 -4.48E-01  9.01E+00  1.59E+01  1.61E-03 000  2.00E-04  9.58E-01  3.29937E-01  3.29113E-01
  #  (MHGPS) CUOPT  0040 0007 -1.26258296845017E+01 -1.15E+00  5.48E+00  9.80E+00  1.77E-03 005  2.00E-04  9.31E-01  4.46018E-01  4.44866E-01
  #  (MHGPS) CUOPT  0041 0008 -1.29128130611357E+01 -2.87E-01  3.90E+00  7.51E+00  1.95E-03 005  2.00E-04  9.19E-01  4.95271E-01  4.94008E-01
  #  (MHGPS) CUOPT  0042 0009 -1.30928537802399E+01 -1.80E-01  2.48E+00  6.22E+00  2.14E-03 005  2.00E-04  9.09E-01  5.35462E-01  5.34178E-01
  #  (MHGPS) CUOPT  0043 0010 -1.32280839431076E+01 -1.35E-01  2.04E+00  5.59E+00  2.36E-03 005  2.00E-04  9.00E-01  5.74242E-01  5.72916E-01
  #  (MHGPS) CUOPT  0044 0011 -1.33177204620180E+01 -8.96E-02  2.16E+00  5.40E+00  2.59E-03 005  2.00E-04  8.94E-01  6.04317E-01  6.02973E-01
  #  (MHGPS) CUOPT  0045 0012 -1.34058580726852E+01 -8.81E-02  1.88E+00  4.25E+00  2.85E-03 005  2.00E-04  8.88E-01  6.36281E-01  6.34931E-01
   (MHGPS) minmode overlap               :  0.8882579735511991
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
   (MHGPS) resize step                   :  6.9709438842116694E-002
  #  (MHGPS) GEOPT  0046 0016 -1.67799162705510E+02 -1.38E-01  4.75E+00  7.67E+00  4.18E-03 009  7.04233E-01  4.00E-04
   (MHGPS) resize step                   :  5.8980580336025955E-002
  #  (MHGPS) GEOPT  0047 0017 -1.67925969807730E+02 -1.27E-01  4.51E+00  7.14E+00  4.59E-03 010  7.35307E-01  4.00E-04
   (MHGPS) resize step                   :  6.985378298078522E-002
  #  (MHGPS) GEOPT  0048 0018 -1.68066308331435E+02 -1.40E-01  4.44E+00  6.72E+00  5.05E-03 011  7.68818E-01  4.00E-04
  #  (MHGPS) GEOPT  0049 0019 -1.68108936041919E+02 -4.26E-02  3.73E+00  6.12E+00  5.56E-03 012  8.37742E-01  4.00E-04
  #  (MHGPS) GEOPT  0050 0020 -1.67984212835306E+02  1.25E-01  6.03E+00  1.04E+01  6.12E-03 012  9.03586E-01  4.00E-04
  #  (MHGPS) GEOPT  0051 0021 -1.67880794434254E+02  1.03E-01  3.79E+00  1.01E+01  5.20E-03 013  9.57114E-01  4.00E-04
  #  (MHGPS) GEOPT  0052 0022 -1.67794536684109E+02  8.63E-02  7.09E+00  1.20E+01  4.42E-03 014  1.00312E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.12058425565204E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0053 0000  1.58614518909003E+01  0.00E+00  1.41E+02  1.88E+02  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0054 0001 -6.05596913108920E-01 -1.65E+01  5.66E+01  9.25E+01  1.00E-03 000  2.00E-04  9.83E-01  1.87914E-01  1.85481E-01
  #  (MHGPS) CUOPT  0055 0002 -4.84539854718826E+00 -4.24E+00  2.91E+01  5.99E+01  1.00E-03 000  2.00E-04  9.81E-01  2.80456E-01  2.77727E-01
  #  (MHGPS) CUOPT  0056 0003 -6.85619556384132E+00 -2.01E+00  2.02E+01  4.27E+01  1.00E-03 000  2.00E-04  9.71E-01  3.40334E-01  3.37525E-01
  #  (MHGPS) CUOPT  0057 0004 -8.01877030488348E+00 -1.16E+00  1.59E+01  3.24E+01  1.00E-03 000  2.00E-04  9.66E-01  3.83017E-01  3.80179E-01
  #  (MHGPS) CUOPT  0058 0005 -8.80735440717021E+00 -7.89E-01  1.37E+01  2.67E+01  1.10E-03 000  2.00E-04  9.59E-01  4.18684E-01  4.15829E-01
  #  (MHGPS) CUOPT  0059 0006 -9.36215327378060E+00 -5.55E-01  1.04E+01  2.36E+01  1.21E-03 000  2.00E-04  9.54E-01  4.50987E-01  4.48119E-01
  #  (MHGPS) CUOPT  0060 0007 -1.05570520774648E+01 -1.19E+00  3.27E+00  9.42E+00  1.33E-03 005  2.00E-04  9.27E-01  5.53611E-01  5.50543E-01
  #  (MHGPS) CUOPT  0061 0008 -1.06855470734025E+01 -1.28E-01  2.87E+00  6.85E+00  1.46E-03 005  2.00E-04  9.21E-01  5.78927E-01  5.75854E-01
  #  (MHGPS) CUOPT  0062 0009 -1.07701015359064E+01 -8.46E-02  2.40E+00  6.07E+00  1.61E-03 005  2.00E-04  9.18E-01  5.98476E-01  5.95399E-01
  #  (MHGPS) CUOPT  0063 0010 -1.08753299514726E+01 -1.05E-01  1.98E+00  4.64E+00  1.77E-03 005  2.00E-04  9.16E-01  6.23689E-01  6.20612E-01
   (MHGPS) minmode overlap               :  0.9161256132491388
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0064 0023 -1.67882780815475E+02 -8.82E-02  2.86E+00  7.33E+00  3.76E-03 015  1.03991E+00  4.00E-04
  #  (MHGPS) GEOPT  0065 0024 -1.67913826099457E+02 -3.10E-02  3.42E+00  6.42E+00  3.19E-03 016  1.06960E+00  4.00E-04
  #  (MHGPS) GEOPT  0066 0025 -1.67957415401955E+02 -4.36E-02  1.55E+00  3.92E+00  2.71E-03 017  1.08908E+00  4.00E-04
  #  (MHGPS) GEOPT  0067 0026 -1.67982570400659E+02 -2.52E-02  1.40E+00  3.54E+00  2.99E-03 018  1.10600E+00  4.00E-04
  #  (MHGPS) GEOPT  0068 0027 -1.68014996027662E+02 -3.24E-02  1.38E+00  3.33E+00  3.28E-03 018  1.13950E+00  4.00E-04
  #  (MHGPS) GEOPT  0069 0028 -1.68045482463733E+02 -3.05E-02  1.33E+00  2.88E+00  3.61E-03 019  1.16627E+00  4.00E-04
  #  (MHGPS) GEOPT  0070 0029 -1.68073704415912E+02 -2.82E-02  1.33E+00  2.67E+00  3.97E-03 019  1.19912E+00  4.00E-04
  #  (MHGPS) GEOPT  0071 0030 -1.68113955612888E+02 -4.03E-02  1.05E+00  2.33E+00  4.37E-03 019  1.23397E+00  4.00E-04
  #  (MHGPS) GEOPT  0072 0031 -1.68134516020890E+02 -2.06E-02  1.05E+00  2.47E+00  4.81E-03 020  1.25990E+00  4.00E-04
  #  (MHGPS) GEOPT  0073 0032 -1.68145895314623E+02 -1.14E-02  1.62E+00  3.36E+00  5.29E-03 021  1.28380E+00  4.00E-04
  #  (MHGPS) GEOPT  0074 0033 -1.68155513919018E+02 -9.62E-03  1.39E+00  3.00E+00  4.49E-03 022  1.30397E+00  4.00E-04
  #  (MHGPS) GEOPT  0075 0034 -1.68168307250647E+02 -1.28E-02  6.98E-01  1.56E+00  3.82E-03 022  1.32287E+00  4.00E-04
  #  (MHGPS) GEOPT  0076 0035 -1.68173461498489E+02 -5.15E-03  6.52E-01  1.39E+00  4.20E-03 022  1.33712E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.12964041968784E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0077 0000 -4.19231993690277E+00  0.00E+00  5.03E+01  7.57E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0078 0001 -8.28007776563981E+00 -4.09E+00  2.86E+01  3.92E+01  1.00E-03 000  2.00E-04  9.97E-01  7.57266E-02  7.55644E-02
  #  (MHGPS) CUOPT  0079 0002 -9.88322033740658E+00 -1.60E+00  1.51E+01  2.62E+01  1.10E-03 001  2.00E-04  9.92E-01  1.30791E-01  1.30535E-01
  #  (MHGPS) CUOPT  0080 0003 -1.09870435308107E+01 -1.10E+00  7.82E+00  1.97E+01  1.21E-03 002  2.00E-04  9.85E-01  1.89529E-01  1.89210E-01
  #  (MHGPS) CUOPT  0081 0004 -1.17246574586885E+01 -7.38E-01  5.39E+00  1.55E+01  1.33E-03 003  2.00E-04  9.76E-01  2.48754E-01  2.48293E-01
  #  (MHGPS) CUOPT  0082 0005 -1.21251773618628E+01 -4.01E-01  4.39E+00  1.13E+01  1.46E-03 004  2.00E-04  9.69E-01  2.91169E-01  2.90595E-01
  #  (MHGPS) CUOPT  0083 0006 -1.23766779473277E+01 -2.52E-01  3.72E+00  9.25E+00  1.61E-03 004  2.00E-04  9.63E-01  3.25224E-01  3.24585E-01
  #  (MHGPS) CUOPT  0084 0007 -1.25999674668740E+01 -2.23E-01  3.19E+00  7.10E+00  1.77E-03 005  2.00E-04  9.56E-01  3.64250E-01  3.63575E-01
  #  (MHGPS) CUOPT  0085 0008 -1.27432302670007E+01 -1.43E-01  1.86E+00  5.82E+00  1.95E-03 005  2.00E-04  9.50E-01  3.97276E-01  3.96565E-01
  #  (MHGPS) CUOPT  0086 0009 -1.28462931195118E+01 -1.03E-01  1.59E+00  4.95E+00  2.14E-03 005  2.00E-04  9.45E-01  4.26928E-01  4.26188E-01
   (MHGPS) minmode overlap               :  0.9445825120962711
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0087 0036 -1.68176726939813E+02 -3.27E-03  6.31E-01  1.48E+00  4.62E-03 022  1.34687E+00  4.00E-04
  #  (MHGPS) GEOPT  0088 0037 -1.68180075645963E+02 -3.35E-03  5.90E-01  1.36E+00  5.09E-03 023  1.35528E+00  4.00E-04
  #  (MHGPS) GEOPT  0089 0038 -1.68183994902777E+02 -3.92E-03  6.12E-01  1.24E+00  5.59E-03 023  1.36458E+00  4.00E-04
  #  (MHGPS) GEOPT  0090 0039 -1.68188701368645E+02 -4.71E-03  6.70E-01  1.22E+00  6.15E-03 024  1.37448E+00  4.00E-04
  #  (MHGPS) GEOPT  0091 0040 -1.68193316462874E+02 -4.62E-03  5.59E-01  1.24E+00  6.77E-03 025  1.38361E+00  4.00E-04
  #  (MHGPS) GEOPT  0092 0041 -1.68204761823485E+02 -1.14E-02  7.49E-01  1.49E+00  7.45E-03 025  1.40121E+00  4.00E-04
  #  (MHGPS) GEOPT  0093 0042 -1.68223296821110E+02 -1.85E-02  6.78E-01  1.70E+00  8.19E-03 025  1.42538E+00  4.00E-04
  #  (MHGPS) GEOPT  0094 0043 -1.68259689089487E+02 -3.64E-02  8.92E-01  1.94E+00  9.01E-03 025  1.46509E+00  4.00E-04
  #  (MHGPS) GEOPT  0095 0044 -1.68261669472564E+02 -1.98E-03  2.26E+00  4.29E+00  9.91E-03 025  1.48358E+00  4.00E-04
  #  (MHGPS) GEOPT  0096 0045 -1.68338095405125E+02 -7.64E-02  2.81E+00  6.17E+00  8.42E-03 025  1.55765E+00  4.00E-04
  #  (MHGPS) GEOPT  0097 0046 -1.68457222442061E+02 -1.19E-01  2.60E+00  6.72E+00  7.16E-03 025  1.64157E+00  4.00E-04
  #  (MHGPS) GEOPT  0098 0047 -1.68523502002902E+02 -6.63E-02  3.62E+00  6.39E+00  6.09E-03 025  1.69707E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.15441529173744E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0099 0000 -6.37850508666582E+00  0.00E+00  2.28E+01  3.98E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0100 0001 -7.65689668631214E+00 -1.28E+00  1.82E+01  2.97E+01  1.00E-03 000  2.00E-04  9.99E-01  3.97832E-02  3.97596E-02
  #  (MHGPS) CUOPT  0101 0002 -8.81634206514850E+00 -1.16E+00  1.35E+01  2.38E+01  1.10E-03 001  2.00E-04  9.96E-01  8.64318E-02  8.63544E-02
  #  (MHGPS) CUOPT  0102 0003 -1.01307655077407E+01 -1.31E+00  1.16E+01  2.03E+01  1.21E-03 002  2.00E-04  9.87E-01  1.64000E-01  1.63640E-01
  #  (MHGPS) CUOPT  0103 0004 -1.11248099184029E+01 -9.94E-01  6.90E+00  1.50E+01  1.33E-03 003  2.00E-04  9.71E-01  2.54214E-01  2.53709E-01
  #  (MHGPS) CUOPT  0104 0005 -1.14230391224117E+01 -2.98E-01  5.00E+00  1.09E+01  1.46E-03 003  2.00E-04  9.63E-01  2.90944E-01  2.90291E-01
  #  (MHGPS) CUOPT  0105 0006 -1.16201135348910E+01 -1.97E-01  3.01E+00  7.19E+00  1.61E-03 004  2.00E-04  9.55E-01  3.25630E-01  3.24878E-01
  #  (MHGPS) CUOPT  0106 0007 -1.17455786011331E+01 -1.25E-01  2.00E+00  5.13E+00  1.77E-03 005  2.00E-04  9.50E-01  3.54455E-01  3.53685E-01
  #  (MHGPS) CUOPT  0107 0008 -1.18202981223518E+01 -7.47E-02  1.54E+00  4.19E+00  1.95E-03 005  2.00E-04  9.46E-01  3.78978E-01  3.78196E-01
   (MHGPS) minmode overlap               :  0.945959264903896
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0108 0048 -1.68558911287288E+02 -3.54E-02  1.36E+00  3.99E+00  5.17E-03 025  1.74979E+00  4.00E-04
  #  (MHGPS) GEOPT  0109 0049 -1.68588709483528E+02 -2.98E-02  1.26E+00  3.34E+00  4.40E-03 025  1.78154E+00  4.00E-04
  #  (MHGPS) GEOPT  0110 0050 -1.68623673400583E+02 -3.50E-02  8.74E-01  2.48E+00  3.74E-03 025  1.81004E+00  4.00E-04
  #  (MHGPS) GEOPT  0111 0051 -1.68663936045389E+02 -4.03E-02  8.76E-01  2.33E+00  4.11E-03 025  1.83975E+00  4.00E-04
  #  (MHGPS) GEOPT  0112 0052 -1.68753424601156E+02 -8.95E-02  9.51E-01  2.63E+00  4.52E-03 025  1.90154E+00  4.00E-04
  #  (MHGPS) GEOPT  0113 0053 -1.68844789021327E+02 -9.14E-02  9.35E-01  2.61E+00  4.97E-03 025  1.96516E+00  4.00E-04
  #  (MHGPS) GEOPT  0114 0054 -1.68926070355763E+02 -8.13E-02  2.20E+00  3.72E+00  5.47E-03 024  2.03949E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.11469282720234E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0115 0000 -5.81265047910711E+00  0.00E+00  1.43E+01  2.82E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0116 0001 -6.39471142611812E+00 -5.82E-01  9.74E+00  1.83E+01  1.00E-03 000  2.00E-04  1.00E+00  2.81888E-02  2.81804E-02
  #  (MHGPS) CUOPT  0117 0002 -6.73498196791985E+00 -3.40E-01  6.69E+00  1.33E+01  1.10E-03 001  2.00E-04  9.99E-01  5.14008E-02  5.13863E-02
  #  (MHGPS) CUOPT  0118 0003 -7.03926106335813E+00 -3.04E-01  4.88E+00  1.05E+01  1.21E-03 002  2.00E-04  9.97E-01  8.20776E-02  8.20425E-02
  #  (MHGPS) CUOPT  0119 0004 -7.31883802842716E+00 -2.80E-01  2.73E+00  8.95E+00  1.33E-03 003  2.00E-04  9.94E-01  1.22236E-01  1.22190E-01
  #  (MHGPS) CUOPT  0120 0005 -7.50516941272480E+00 -1.86E-01  2.57E+00  7.70E+00  1.46E-03 004  2.00E-04  9.90E-01  1.57141E-01  1.57039E-01
  #  (MHGPS) CUOPT  0121 0006 -7.59922103311333E+00 -9.41E-02  4.18E+00  7.50E+00  1.61E-03 004  2.00E-04  9.88E-01  1.79726E-01  1.79604E-01
  #  (MHGPS) CUOPT  0122 0007 -7.68215500120743E+00 -8.29E-02  4.03E+00  7.23E+00  1.77E-03 005  2.00E-04  9.84E-01  2.04243E-01  2.04105E-01
  #  (MHGPS) CUOPT  0123 0008 -7.76151197239638E+00 -7.94E-02  1.84E+00  4.11E+00  1.51E-03 005  2.00E-04  9.81E-01  2.29057E-01  2.28906E-01
   (MHGPS) minmode overlap               :  0.9811042888398435
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0124 0055 -1.68939429537075E+02 -1.34E-02  4.48E+00  6.64E+00  6.02E-03 025  2.07467E+00  4.00E-04
  #  (MHGPS) GEOPT  0125 0056 -1.68946058133022E+02 -6.63E-03  5.30E+00  7.73E+00  5.12E-03 025  2.10782E+00  4.00E-04
  #  (MHGPS) GEOPT  0126 0057 -1.68979306938532E+02 -3.32E-02  3.24E+00  5.73E+00  4.35E-03 025  2.13956E+00  4.00E-04
  #  (MHGPS) GEOPT  0127 0058 -1.69006431889191E+02 -2.71E-02  1.22E+00  3.06E+00  3.70E-03 025  2.16350E+00  4.00E-04
  #  (MHGPS) GEOPT  0128 0059 -1.69017723623912E+02 -1.13E-02  5.15E-01  1.34E+00  3.14E-03 025  2.18018E+00  4.00E-04
  #  (MHGPS) GEOPT  0129 0060 -1.69021037836323E+02 -3.31E-03  4.18E-01  1.02E+00  2.67E-03 025  2.19022E+00  4.00E-04
  #  (MHGPS) GEOPT  0130 0061 -1.69024546305809E+02 -3.51E-03  3.23E-01  8.51E-01  2.94E-03 025  2.19953E+00  4.00E-04
  #  (MHGPS) GEOPT  0131 0062 -1.69026383791981E+02 -1.84E-03  2.99E-01  6.99E-01  3.23E-03 025  2.20702E+00  4.00E-04
  #  (MHGPS) GEOPT  0132 0063 -1.69026950056775E+02 -5.66E-04  2.36E-01  5.64E-01  3.55E-03 024  2.21519E+00  4.00E-04
  #  (MHGPS) GEOPT  0133 0064 -1.69026906432032E+02  4.36E-05  2.02E-01  5.00E-01  3.91E-03 025  2.22129E+00  4.00E-04
  #  (MHGPS) GEOPT  0134 0065 -1.69026850658766E+02  5.58E-05  1.81E-01  4.31E-01  4.30E-03 025  2.22592E+00  4.00E-04
  #  (MHGPS) GEOPT  0135 0066 -1.69026760090171E+02  9.06E-05  1.53E-01  3.62E-01  4.73E-03 025  2.22988E+00  4.00E-04
  #  (MHGPS) GEOPT  0136 0067 -1.69026788423531E+02 -2.83E-05  1.64E-01  3.91E-01  5.20E-03 024  2.23319E+00  4.00E-04
  #  (MHGPS) GEOPT  0137 0068 -1.69026651351074E+02  1.37E-04  4.03E-01  6.27E-01  5.73E-03 025  2.23600E+00  4.00E-04
  #  (MHGPS) GEOPT  0138 0069 -1.69026808809656E+02 -1.57E-04  2.65E-01  4.29E-01  4.87E-03 025  2.23817E+00  4.00E-04
  #  (MHGPS) GEOPT  0139 0070 -1.69026933131715E+02 -1.24E-04  1.72E-01  2.96E-01  4.14E-03 025  2.24019E+00  4.00E-04
  #  (MHGPS) GEOPT  0140 0071 -1.69026947602967E+02 -1.45E-05  8.07E-02  1.95E-01  3.52E-03 025  2.24202E+00  4.00E-04
  #  (MHGPS) GEOPT  0141 0072 -1.69026892369959E+02  5.52E-05  7.23E-02  1.59E-01  2.99E-03 025  2.24364E+00  4.00E-04
  #  (MHGPS) GEOPT  0142 0073 -1.69026848241131E+02  4.41E-05  6.42E-02  1.46E-01  2.54E-03 025  2.24509E+00  4.00E-04
  #  (MHGPS) GEOPT  0143 0074 -1.69026739602598E+02  1.09E-04  7.70E-02  1.52E-01  2.79E-03 025  2.24771E+00  4.00E-04
  #  (MHGPS) GEOPT  0144 0075 -1.69026727360735E+02  1.22E-05  6.95E-02  1.32E-01  2.38E-03 025  2.25021E+00  4.00E-04
  #  (MHGPS) GEOPT  0145 0076 -1.69026756714273E+02 -2.94E-05  4.84E-02  1.08E-01  2.61E-03 024  2.25178E+00  4.00E-04
  #  (MHGPS) GEOPT  0146 0077 -1.69026801905844E+02 -4.52E-05  2.86E-02  8.18E-02  2.87E-03 024  2.25265E+00  4.00E-04
  #  (MHGPS) GEOPT  0147 0078 -1.69026842955817E+02 -4.10E-05  2.14E-02  6.71E-02  3.16E-03 024  2.25361E+00  4.00E-04
  #  (MHGPS) GEOPT  0148 0079 -1.69026874501786E+02 -3.15E-05  2.03E-02  5.46E-02  3.48E-03 024  2.25453E+00  4.00E-04
  #  (MHGPS) GEOPT  0149 0080 -1.69026892852634E+02 -1.84E-05  1.94E-02  4.51E-02  3.83E-03 023  2.25549E+00  4.00E-04
  #  (MHGPS) GEOPT  0150 0081 -1.69026900562852E+02 -7.71E-06  1.93E-02  3.66E-02  3.25E-03 024  2.25596E+00  4.00E-04
  #  (MHGPS) GEOPT  0151 0082 -1.69026904349829E+02 -3.79E-06  8.12E-03  2.31E-02  2.76E-03 024  2.25628E+00  4.00E-04
  #  (MHGPS) GEOPT  0152 0083 -1.69026906672280E+02 -2.32E-06  7.92E-03  1.97E-02  3.04E-03 024  2.25652E+00  4.00E-04
  #  (MHGPS) GEOPT  0153 0084 -1.69026908269759E+02 -1.60E-06  6.93E-03  1.74E-02  3.34E-03 023  2.25668E+00  4.00E-04
  #  (MHGPS) GEOPT  0154 0085 -1.69026909711622E+02 -1.44E-06  1.01E-02  1.76E-02  3.68E-03 024  2.25685E+00  4.00E-04
  #  (MHGPS) GEOPT  0155 0086 -1.69026911043979E+02 -1.33E-06  5.73E-03  1.39E-02  4.05E-03 024  2.25702E+00  4.00E-04
  #  (MHGPS) GEOPT  0156 0087 -1.69026912175653E+02 -1.13E-06  3.63E-03  1.08E-02  4.45E-03 024  2.25721E+00  4.00E-04
  #  (MHGPS) GEOPT  0157 0088 -1.69026912843103E+02 -6.67E-07  2.64E-03  8.74E-03  4.90E-03 024  2.25735E+00  4.00E-04
  #  (MHGPS) GEOPT  0158 0089 -1.69026913347630E+02 -5.05E-07  5.65E-03  1.02E-02  5.39E-03 024  2.25749E+00  4.00E-04
  #  (MHGPS) GEOPT  0159 0090 -1.69026913628215E+02 -2.81E-07  6.12E-03  1.09E-02  4.58E-03 024  2.25759E+00  4.00E-04
  #  (MHGPS) GEOPT  0160 0091 -1.69026913883472E+02 -2.55E-07  3.37E-03  7.44E-03  3.89E-03 025  2.25768E+00  4.00E-04
  #  (MHGPS) GEOPT  0161 0092 -1.69026914057129E+02 -1.74E-07  1.49E-03  4.31E-03  3.31E-03 025  2.25775E+00  4.00E-04
  #  (MHGPS) GEOPT  0162 0093 -1.69026914169474E+02 -1.12E-07  1.23E-03  3.27E-03  3.64E-03 025  2.25782E+00  4.00E-04
  #  (MHGPS) GEOPT  0163 0094 -1.69026914266654E+02 -9.72E-08  9.22E-04  2.81E-03  4.00E-03 025  2.25788E+00  4.00E-04
  #  (MHGPS) GEOPT  0164 0095 -1.69026914312834E+02 -4.62E-08  7.25E-04  2.00E-03  4.40E-03 024  2.25793E+00  4.00E-04
  #  (MHGPS) GEOPT  0165 0096 -1.69026914343891E+02 -3.11E-08  5.49E-04  1.80E-03  4.84E-03 025  2.25796E+00  4.00E-04
  #  (MHGPS) GEOPT  0166 0097 -1.69026914359534E+02 -1.56E-08  8.20E-04  1.66E-03  5.33E-03 025  2.25799E+00  4.00E-04
  #  (MHGPS) GEOPT  0167 0098 -1.69026914368087E+02 -8.55E-09  8.29E-04  1.41E-03  4.53E-03 025  2.25801E+00  4.00E-04
  #  (MHGPS) GEOPT  0168 0099 -1.69026914371419E+02 -3.33E-09  8.81E-04  1.39E-03  3.85E-03 025  2.25802E+00  4.00E-04
  #  (MHGPS) GEOPT  0169 0100 -1.69026914373567E+02 -2.15E-09  6.73E-04  1.11E-03  3.27E-03 025  2.25802E+00  4.00E-04
  #  (MHGPS) GEOPT  0170 0101 -1.69026914375627E+02 -2.06E-09  1.74E-04  4.42E-04  2.78E-03 025  2.25803E+00  4.00E-04
    #(MHGPS) tightening
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.07498639826022E-03
  #  (MHGPS) CUOPT minoverlap -2.00E+00
  #  (MHGPS) CUOPT  0171 0000 -5.10494739784799E+00  0.00E+00  3.21E+01  4.25E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0172 0001 -6.36288770436487E+00 -1.26E+00  1.82E+01  2.13E+01  1.00E-03 000  2.00E-04  9.99E-01  4.24510E-02  4.24223E-02
  #  (MHGPS) CUOPT  0173 0002 -6.80878533260510E+00 -4.46E-01  1.06E+01  1.39E+01  1.10E-03 001  2.00E-04  9.98E-01  7.07634E-02  7.07224E-02
  #  (MHGPS) CUOPT  0174 0003 -7.06951821352505E+00 -2.61E-01  6.28E+00  1.05E+01  1.21E-03 002  2.00E-04  9.96E-01  9.44261E-02  9.43764E-02
  #  (MHGPS) CUOPT  0175 0004 -7.31171192787652E+00 -2.42E-01  3.47E+00  8.33E+00  1.33E-03 003  2.00E-04  9.94E-01  1.27811E-01  1.27745E-01
  #  (MHGPS) CUOPT  0176 0005 -7.48409774914281E+00 -1.72E-01  1.95E+00  6.60E+00  1.46E-03 004  2.00E-04  9.90E-01  1.64289E-01  1.64205E-01
  #  (MHGPS) CUOPT  0177 0006 -7.55155167290558E+00 -6.75E-02  1.82E+00  5.06E+00  1.61E-03 004  2.00E-04  9.89E-01  1.80120E-01  1.80027E-01
  #  (MHGPS) CUOPT  0178 0007 -7.62041203190339E+00 -6.89E-02  1.46E+00  4.02E+00  1.77E-03 005  2.00E-04  9.86E-01  2.01966E-01  2.01863E-01
   (MHGPS) minmode overlap               :  0.9863813979101124
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0179 0102 -1.69026914376312E+02 -6.85E-10  7.98E-05  2.79E-04  2.36E-03 025  2.25803E+00  4.00E-04
   (MHGPS) convergence at                :  179
    #............................................................ (MHGPS) Relax from left side
  #(MHGPS) COUNT  IT  GEOPT_METHOD  ENERGY                 DIFF       FMAX       FNRM      FRAC*FLUC FLUC      ADD. INFO
      0     0  (MHGPS) GEOPT_SQNM  -1.69026918681299E+02   0.00E+00  7.819E-03  8.39E-03  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=0.0E+00 dsplr=0.00000E+00 dsplp=0.00000E+00
      1     1  (MHGPS) GEOPT_SQNM  -1.69026918751716E+02  -7.04E-08  7.874E-03  8.41E-03  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=7.8E-06 dsplr=8.38784E-06 dsplp=8.38784E-06
      2     2  (MHGPS) GEOPT_SQNM  -1.69026920314794E+02  -1.56E-06  9.141E-03  1.22E-02  0.00E+00  0.00E+00   beta=1.10E-03 dim=001 maxd=1.7E-04 dsplr=1.90534E-04 dsplp=1.90534E-04
      3     3  (MHGPS) GEOPT_SQNM  -1.69026922181370E+02  -1.87E-06  1.059E-02  1.52E-02  0.00E+00  0.00E+00   beta=1.21E-03 dim=001 maxd=1.8E-04 dsplr=3.83226E-04 dsplp=3.83226E-04
      4     4  (MHGPS) GEOPT_SQNM  -1.69026927910912E+02  -5.73E-06  1.417E-02  2.07E-02  0.00E+00  0.00E+00   beta=1.33E-03 dim=002 maxd=4.4E-04 dsplr=8.56302E-04 dsplp=8.56302E-04
      5     5  (MHGPS) GEOPT_SQNM  -1.69026937784794E+02  -9.87E-06  1.893E-02  2.66E-02  0.00E+00  0.00E+00   beta=1.46E-03 dim=002 maxd=5.8E-04 dsplr=1.47682E-03 dsplp=1.47682E-03
      6     6  (MHGPS) GEOPT_SQNM  -1.69026973668782E+02  -3.59E-05  2.958E-02  3.97E-02  0.00E+00  0.00E+00   beta=1.61E-03 dim=003 maxd=1.4E-03 dsplr=2.95867E-03 dsplp=2.95867E-03
      7     7  (MHGPS) GEOPT_SQNM  -1.69027063436514E+02  -8.98E-05  4.711E-02  6.09E-02  0.00E+00  0.00E+00   beta=1.77E-03 dim=003 maxd=2.2E-03 dsplr=5.31304E-03 dsplp=5.31304E-03
      8     8  (MHGPS) GEOPT_SQNM  -1.69027307090617E+02  -2.44E-04  7.598E-02  9.63E-02  0.00E+00  0.00E+00   beta=1.95E-03 dim=003 maxd=3.7E-03 dsplr=9.26416E-03 dsplp=9.26416E-03
      9     9  (MHGPS) GEOPT_SQNM  -1.69027986994944E+02  -6.80E-04  1.241E-01  1.54E-01  0.00E+00  0.00E+00   beta=2.14E-03 dim=003 maxd=6.3E-03 dsplr=1.59487E-02 dsplp=1.59487E-02
     10    10  (MHGPS) GEOPT_SQNM  -1.69029932311890E+02  -1.95E-03  2.060E-01  2.52E-01  0.00E+00  0.00E+00   beta=2.36E-03 dim=003 maxd=1.1E-02 dsplr=2.73746E-02 dsplp=2.73746E-02
     11    11  (MHGPS) GEOPT_SQNM  -1.69037862879542E+02  -7.93E-03  3.984E-01  4.41E-01  0.00E+00  0.00E+00   beta=2.59E-03 dim=004 maxd=2.4E-02 dsplr=5.27602E-02 dsplp=5.27602E-02
     12    12  (MHGPS) GEOPT_SQNM  -1.69066614821286E+02  -2.88E-02  8.997E-01  1.01E+00  0.00E+00  0.00E+00   beta=2.85E-03 dim=004 maxd=4.7E-02 dsplr=1.02316E-01 dsplp=1.02316E-01
     13    13  (MHGPS) GEOPT_SQNM  -1.69153655599215E+02  -8.70E-02  2.232E+00  2.58E+00  0.00E+00  0.00E+00   beta=3.14E-03 dim=004 maxd=8.3E-02 dsplr=1.90095E-01 dsplp=1.90095E-01
     14    14  (MHGPS) GEOPT_SQNM  -1.69296344291852E+02  -1.43E-01  3.932E+00  4.58E+00  0.00E+00  0.00E+00   beta=3.45E-03 dim=003 maxd=9.2E-02 dsplr=2.87788E-01 dsplp=2.87788E-01
     15    15  (MHGPS) GEOPT_SQNM  -1.69428439674946E+02  -1.32E-01  3.552E+00  3.90E+00  0.00E+00  0.00E+00   beta=3.80E-03 dim=004 maxd=4.2E-02 dsplr=3.32636E-01 dsplp=3.32636E-01
     16    16  (MHGPS) GEOPT_SQNM  -1.69691614460472E+02  -2.63E-01  3.939E+00  5.45E+00  0.00E+00  0.00E+00   beta=4.18E-03 dim=004 maxd=7.9E-02 dsplr=4.16747E-01 dsplp=4.16747E-01
     17    17  (MHGPS) GEOPT_SQNM  -1.70126845342658E+02  -4.35E-01  6.379E+00  7.93E+00  0.00E+00  0.00E+00   beta=4.59E-03 dim=004 maxd=1.1E-01 dsplr=5.36210E-01 dsplp=5.36210E-01
     18    18  (MHGPS) GEOPT_SQNM  -1.70727947265750E+02  -6.01E-01  5.117E+00  8.97E+00  0.00E+00  0.00E+00   beta=5.05E-03 dim=005 maxd=1.4E-01 dsplr=6.80878E-01 dsplp=6.80878E-01
     19    19  (MHGPS) GEOPT_SQNM  -1.70847283648620E+02  -1.19E-01  2.544E+00  5.48E+00  0.00E+00  0.00E+00   beta=4.30E-03 dim=006 maxd=2.3E-02 dsplr=7.13302E-01 dsplp=7.13302E-01
     20    20  (MHGPS) GEOPT_SQNM  -1.70893167428116E+02  -4.59E-02  1.854E+00  3.86E+00  0.00E+00  0.00E+00   beta=3.65E-03 dim=007 maxd=7.5E-03 dsplr=7.32510E-01 dsplp=7.32510E-01
     21    21  (MHGPS) GEOPT_SQNM  -1.70924003966103E+02  -3.08E-02  1.710E+00  2.71E+00  0.00E+00  0.00E+00   beta=3.10E-03 dim=008 maxd=8.4E-03 dsplr=7.47854E-01 dsplp=7.47854E-01
     22    22  (MHGPS) GEOPT_SQNM  -1.70943039310810E+02  -1.90E-02  1.360E+00  2.30E+00  0.00E+00  0.00E+00   beta=3.41E-03 dim=008 maxd=9.1E-03 dsplr=7.60505E-01 dsplp=7.60505E-01
     23    23  (MHGPS) GEOPT_SQNM  -1.70955292109733E+02  -1.23E-02  8.292E-01  1.55E+00  0.00E+00  0.00E+00   beta=3.76E-03 dim=009 maxd=6.5E-03 dsplr=7.70678E-01 dsplp=7.70678E-01
     24    24  (MHGPS) GEOPT_SQNM  -1.70965349253443E+02  -1.01E-02  4.959E-01  8.35E-01  0.00E+00  0.00E+00   beta=4.13E-03 dim=010 maxd=6.1E-03 dsplr=7.83242E-01 dsplp=7.83242E-01
     25    25  (MHGPS) GEOPT_SQNM  -1.70969679406642E+02  -4.33E-03  2.753E-01  6.28E-01  0.00E+00  0.00E+00   beta=4.54E-03 dim=010 maxd=6.1E-03 dsplr=7.91979E-01 dsplp=7.91979E-01
     26    26  (MHGPS) GEOPT_SQNM  -1.70971829578399E+02  -2.15E-03  3.090E-01  6.36E-01  0.00E+00  0.00E+00   beta=5.00E-03 dim=010 maxd=2.7E-03 dsplr=7.98512E-01 dsplp=7.98512E-01
     27    27  (MHGPS) GEOPT_SQNM  -1.70972221328554E+02  -3.92E-04  9.453E-01  1.29E+00  0.00E+00  0.00E+00   beta=5.50E-03 dim=010 maxd=1.7E-03 dsplr=8.03177E-01 dsplp=8.03177E-01
     28    28  (MHGPS) GEOPT_SQNM  -1.70973411177777E+02  -1.19E-03  7.128E-01  1.01E+00  0.00E+00  0.00E+00   beta=4.67E-03 dim=010 maxd=2.1E-03 dsplr=8.07594E-01 dsplp=8.07594E-01
     29    29  (MHGPS) GEOPT_SQNM  -1.70974441700046E+02  -1.03E-03  5.271E-01  7.38E-01  0.00E+00  0.00E+00   beta=3.97E-03 dim=010 maxd=2.2E-03 dsplr=8.12687E-01 dsplp=8.12687E-01
     30    30  (MHGPS) GEOPT_SQNM  -1.70974860485194E+02  -4.19E-04  3.821E-01  5.88E-01  0.00E+00  0.00E+00   beta=3.38E-03 dim=010 maxd=1.2E-03 dsplr=8.15660E-01 dsplp=8.15660E-01
     31    31  (MHGPS) GEOPT_SQNM  -1.70975162927598E+02  -3.02E-04  1.794E-01  3.42E-01  0.00E+00  0.00E+00   beta=2.87E-03 dim=010 maxd=7.1E-04 dsplr=8.17649E-01 dsplp=8.17649E-01
     32    32  (MHGPS) GEOPT_SQNM  -1.70975335881870E+02  -1.73E-04  4.741E-02  1.38E-01  0.00E+00  0.00E+00   beta=2.44E-03 dim=010 maxd=4.8E-04 dsplr=8.19118E-01 dsplp=8.19118E-01
     33    33  (MHGPS) GEOPT_SQNM  -1.70975451780204E+02  -1.16E-04  3.258E-02  1.10E-01  0.00E+00  0.00E+00   beta=2.68E-03 dim=010 maxd=7.4E-04 dsplr=8.21007E-01 dsplp=8.21007E-01
     34    34  (MHGPS) GEOPT_SQNM  -1.70975496032837E+02  -4.43E-05  2.321E-02  8.13E-02  0.00E+00  0.00E+00   beta=2.95E-03 dim=010 maxd=3.5E-04 dsplr=8.21965E-01 dsplp=8.21965E-01
     35    35  (MHGPS) GEOPT_SQNM  -1.70975525995320E+02  -3.00E-05  2.003E-02  6.53E-02  0.00E+00  0.00E+00   beta=3.25E-03 dim=010 maxd=2.4E-04 dsplr=8.22716E-01 dsplp=8.22716E-01
     36    36  (MHGPS) GEOPT_SQNM  -1.70975545439425E+02  -1.94E-05  1.693E-02  4.74E-02  0.00E+00  0.00E+00   beta=3.57E-03 dim=010 maxd=1.8E-04 dsplr=8.23237E-01 dsplp=8.23237E-01
     37    37  (MHGPS) GEOPT_SQNM  -1.70975556667948E+02  -1.12E-05  1.479E-02  3.98E-02  0.00E+00  0.00E+00   beta=3.93E-03 dim=010 maxd=1.6E-04 dsplr=8.23688E-01 dsplp=8.23688E-01
     38    38  (MHGPS) GEOPT_SQNM  -1.70975561801706E+02  -5.13E-06  3.217E-02  4.94E-02  0.00E+00  0.00E+00   beta=4.32E-03 dim=010 maxd=1.0E-04 dsplr=8.23978E-01 dsplp=8.23978E-01
     39    39  (MHGPS) GEOPT_SQNM  -1.70975566356048E+02  -4.55E-06  1.778E-02  3.15E-02  0.00E+00  0.00E+00   beta=3.67E-03 dim=010 maxd=8.0E-05 dsplr=8.24224E-01 dsplp=8.24224E-01
     40    40  (MHGPS) GEOPT_SQNM  -1.70975569158178E+02  -2.80E-06  5.797E-03  1.61E-02  0.00E+00  0.00E+00   beta=3.12E-03 dim=010 maxd=8.2E-05 dsplr=8.24442E-01 dsplp=8.24442E-01
     41    41  (MHGPS) GEOPT_SQNM  -1.70975570502629E+02  -1.34E-06  4.239E-03  1.19E-02  0.00E+00  0.00E+00   beta=3.44E-03 dim=010 maxd=7.0E-05 dsplr=8.24603E-01 dsplp=8.24603E-01
     42    42  (MHGPS) GEOPT_SQNM  -1.70975571144963E+02  -6.42E-07  4.873E-03  1.11E-02  0.00E+00  0.00E+00   beta=3.78E-03 dim=010 maxd=5.2E-05 dsplr=8.24714E-01 dsplp=8.24714E-01
     43    43  (MHGPS) GEOPT_SQNM  -1.70975571523766E+02  -3.79E-07  7.472E-03  1.15E-02  0.00E+00  0.00E+00   beta=4.16E-03 dim=010 maxd=3.6E-05 dsplr=8.24791E-01 dsplp=8.24791E-01
     44    44  (MHGPS) GEOPT_SQNM  -1.70975571828366E+02  -3.05E-07  1.660E-03  5.26E-03  0.00E+00  0.00E+00   beta=3.53E-03 dim=010 maxd=3.2E-05 dsplr=8.24861E-01 dsplp=8.24861E-01
     45    45  (MHGPS) GEOPT_SQNM  -1.70975571940280E+02  -1.12E-07  2.389E-03  5.07E-03  0.00E+00  0.00E+00   beta=3.89E-03 dim=010 maxd=1.9E-05 dsplr=8.24905E-01 dsplp=8.24905E-01
     46    46  (MHGPS) GEOPT_SQNM  -1.70975572002770E+02  -6.25E-08  4.521E-03  7.21E-03  0.00E+00  0.00E+00   beta=4.28E-03 dim=010 maxd=1.4E-05 dsplr=8.24941E-01 dsplp=8.24941E-01
     47    47  (MHGPS) GEOPT_SQNM  -1.70975572094352E+02  -9.16E-08  1.859E-03  3.43E-03  0.00E+00  0.00E+00   beta=3.63E-03 dim=010 maxd=1.5E-05 dsplr=8.24978E-01 dsplp=8.24978E-01
     48    48  (MHGPS) GEOPT_SQNM  -1.70975572140170E+02  -4.58E-08  6.857E-04  2.11E-03  0.00E+00  0.00E+00   beta=3.09E-03 dim=010 maxd=1.4E-05 dsplr=8.25011E-01 dsplp=8.25011E-01
     49    49  (MHGPS) GEOPT_SQNM  -1.70975572169448E+02  -2.93E-08  5.726E-04  1.94E-03  0.00E+00  0.00E+00   beta=3.40E-03 dim=010 maxd=1.2E-05 dsplr=8.25038E-01 dsplp=8.25038E-01
     50    50  (MHGPS) GEOPT_SQNM  -1.70975572189006E+02  -1.96E-08  4.900E-04  1.49E-03  0.00E+00  0.00E+00   beta=3.74E-03 dim=010 maxd=8.9E-06 dsplr=8.25059E-01 dsplp=8.25059E-01
     51    51  (MHGPS) GEOPT_SQNM  -1.70975572200558E+02  -1.16E-08  6.423E-04  1.35E-03  0.00E+00  0.00E+00   beta=4.11E-03 dim=010 maxd=7.0E-06 dsplr=8.25075E-01 dsplp=8.25075E-01
     52    52  (MHGPS) GEOPT_SQNM  -1.70975572207587E+02  -7.03E-09  1.041E-03  1.60E-03  0.00E+00  0.00E+00   beta=4.52E-03 dim=010 maxd=5.6E-06 dsplr=8.25087E-01 dsplp=8.25087E-01
     53    53  (MHGPS) GEOPT_SQNM  -1.70975572212840E+02  -5.25E-09  6.842E-04  1.13E-03  0.00E+00  0.00E+00   beta=3.84E-03 dim=010 maxd=4.6E-06 dsplr=8.25098E-01 dsplp=8.25098E-01
     54    54  (MHGPS) GEOPT_SQNM  -1.70975572215771E+02  -2.93E-09  1.650E-04  5.45E-04  0.00E+00  0.00E+00   beta=3.27E-03 dim=010 maxd=2.9E-06 dsplr=8.25106E-01 dsplp=8.25106E-01
     55    55  (MHGPS) GEOPT_SQNM  -1.70975572217297E+02  -1.53E-09  1.258E-04  4.12E-04  0.00E+00  0.00E+00   beta=3.59E-03 dim=010 maxd=2.3E-06 dsplr=8.25111E-01 dsplp=8.25111E-01
     56    56  (MHGPS) GEOPT_SQNM  -1.70975572218166E+02  -8.69E-10  1.453E-04  3.43E-04  0.00E+00  0.00E+00   beta=3.95E-03 dim=010 maxd=1.5E-06 dsplr=8.25115E-01 dsplp=8.25115E-01
     57    57  (MHGPS) GEOPT_SQNM  -1.70975572218662E+02  -4.95E-10  1.524E-04  2.86E-04  0.00E+00  0.00E+00   beta=4.35E-03 dim=010 maxd=1.3E-06 dsplr=8.25118E-01 dsplp=8.25118E-01
     58    58  (MHGPS) GEOPT_SQNM  -1.70975572219000E+02  -3.38E-10  1.165E-04  2.33E-04  0.00E+00  0.00E+00   beta=4.78E-03 dim=010 maxd=1.3E-06 dsplr=8.25121E-01 dsplp=8.25121E-01
  (MHGPS) SQNM converged at iteration  58. Needed energy calls:  58
  (MHGPS)ediff, fpdist  MS  1.9486578E+00  1.8638473E-02
    #........................................................... (MHGPS) Relax from right side
  #(MHGPS) COUNT  IT  GEOPT_METHOD  ENERGY                 DIFF       FMAX       FNRM      FRAC*FLUC FLUC      ADD. INFO
      0     0  (MHGPS) GEOPT_SQNM  -1.69026918727354E+02   0.00E+00  7.873E-03  8.43E-03  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=0.0E+00 dsplr=0.00000E+00 dsplp=0.00000E+00
      1     1  (MHGPS) GEOPT_SQNM  -1.69026918798460E+02  -7.11E-08  7.930E-03  8.46E-03  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=7.9E-06 dsplr=8.42718E-06 dsplp=8.42718E-06
      2     2  (MHGPS) GEOPT_SQNM  -1.69026920604746E+02  -1.81E-06  9.350E-03  1.24E-02  0.00E+00  0.00E+00   beta=1.10E-03 dim=001 maxd=1.9E-04 dsplr=2.15558E-04 dsplp=2.15558E-04
      3     3  (MHGPS) GEOPT_SQNM  -1.69026922824585E+02  -2.22E-06  1.095E-02  1.61E-02  0.00E+00  0.00E+00   beta=1.21E-03 dim=001 maxd=2.1E-04 dsplr=4.38604E-04 dsplp=4.38604E-04
      4     4  (MHGPS) GEOPT_SQNM  -1.69026929157899E+02  -6.33E-06  1.468E-02  2.19E-02  0.00E+00  0.00E+00   beta=1.33E-03 dim=002 maxd=4.7E-04 dsplr=9.37024E-04 dsplp=9.37024E-04
      5     5  (MHGPS) GEOPT_SQNM  -1.69026940267105E+02  -1.11E-05  1.966E-02  2.76E-02  0.00E+00  0.00E+00   beta=1.46E-03 dim=002 maxd=6.2E-04 dsplr=1.59853E-03 dsplp=1.59853E-03
      6     6  (MHGPS) GEOPT_SQNM  -1.69026981515580E+02  -4.12E-05  3.170E-02  4.17E-02  0.00E+00  0.00E+00   beta=1.61E-03 dim=003 maxd=1.5E-03 dsplr=3.21090E-03 dsplp=3.21090E-03
      7     7  (MHGPS) GEOPT_SQNM  -1.69027087163650E+02  -1.06E-04  5.155E-02  6.46E-02  0.00E+00  0.00E+00   beta=1.77E-03 dim=003 maxd=2.4E-03 dsplr=5.80364E-03 dsplp=5.80364E-03
      8     8  (MHGPS) GEOPT_SQNM  -1.69027379824372E+02  -2.93E-04  8.554E-02  1.05E-01  0.00E+00  0.00E+00   beta=1.95E-03 dim=003 maxd=4.2E-03 dsplr=1.02083E-02 dsplp=1.02083E-02
      9     9  (MHGPS) GEOPT_SQNM  -1.69028208330929E+02  -8.29E-04  1.448E-01  1.72E-01  0.00E+00  0.00E+00   beta=2.14E-03 dim=003 maxd=7.1E-03 dsplr=1.77256E-02 dsplp=1.77256E-02
     10    10  (MHGPS) GEOPT_SQNM  -1.69030596218573E+02  -2.39E-03  2.514E-01  2.92E-01  0.00E+00  0.00E+00   beta=2.36E-03 dim=003 maxd=1.2E-02 dsplr=3.06559E-02 dsplp=3.06559E-02
     11    11  (MHGPS) GEOPT_SQNM  -1.69037526837203E+02  -6.93E-03  4.546E-01  5.18E-01  0.00E+00  0.00E+00   beta=2.59E-03 dim=003 maxd=2.1E-02 dsplr=5.30030E-02 dsplp=5.30030E-02
     12    12  (MHGPS) GEOPT_SQNM  -1.69058438777121E+02  -2.09E-02  8.632E-01  9.64E-01  0.00E+00  0.00E+00   beta=2.85E-03 dim=004 maxd=3.7E-02 dsplr=9.26234E-02 dsplp=9.26234E-02
     13    13  (MHGPS) GEOPT_SQNM  -1.69077292301825E+02  -1.89E-02  1.085E+00  1.22E+00  0.00E+00  0.00E+00   beta=3.14E-03 dim=004 maxd=2.4E-02 dsplr=1.17907E-01 dsplp=1.17907E-01
     14    14  (MHGPS) GEOPT_SQNM  -1.69122554098552E+02  -4.53E-02  1.181E+00  1.71E+00  0.00E+00  0.00E+00   beta=3.45E-03 dim=004 maxd=4.0E-02 dsplr=1.60543E-01 dsplp=1.60543E-01
     15    15  (MHGPS) GEOPT_SQNM  -1.69233939564215E+02  -1.11E-01  2.517E+00  3.58E+00  0.00E+00  0.00E+00   beta=3.80E-03 dim=004 maxd=8.2E-02 dsplr=2.47821E-01 dsplp=2.47821E-01
     16    16  (MHGPS) GEOPT_SQNM  -1.69276721266433E+02  -4.28E-02  2.118E+00  3.42E+00  0.00E+00  0.00E+00   beta=4.18E-03 dim=003 maxd=1.9E-02 dsplr=2.69540E-01 dsplp=2.69540E-01
     17    17  (MHGPS) GEOPT_SQNM  -1.69310906830519E+02  -3.42E-02  3.053E+00  4.61E+00  0.00E+00  0.00E+00   beta=4.59E-03 dim=004 maxd=2.1E-02 dsplr=2.93343E-01 dsplp=2.93343E-01
     18    18  (MHGPS) GEOPT_SQNM  -1.69356670246221E+02  -4.58E-02  1.646E+00  2.62E+00  0.00E+00  0.00E+00   beta=3.91E-03 dim=005 maxd=1.9E-02 dsplr=3.15700E-01 dsplp=3.15700E-01
     19    19  (MHGPS) GEOPT_SQNM  -1.69394866422621E+02  -3.82E-02  1.539E+00  1.98E+00  0.00E+00  0.00E+00   beta=4.30E-03 dim=006 maxd=2.0E-02 dsplr=3.37470E-01 dsplp=3.37470E-01
     20    20  (MHGPS) GEOPT_SQNM  -1.69419535772432E+02  -2.47E-02  1.397E+00  2.20E+00  0.00E+00  0.00E+00   beta=4.73E-03 dim=007 maxd=1.5E-02 dsplr=3.54305E-01 dsplp=3.54305E-01
     21    21  (MHGPS) GEOPT_SQNM  -1.69435684673329E+02  -1.61E-02  1.882E+00  3.15E+00  0.00E+00  0.00E+00   beta=5.20E-03 dim=008 maxd=1.3E-02 dsplr=3.69485E-01 dsplp=3.69485E-01
     22    22  (MHGPS) GEOPT_SQNM  -1.69459080934612E+02  -2.34E-02  1.195E+00  1.53E+00  0.00E+00  0.00E+00   beta=4.42E-03 dim=009 maxd=1.3E-02 dsplr=3.84893E-01 dsplp=3.84893E-01
     23    23  (MHGPS) GEOPT_SQNM  -1.69473415343442E+02  -1.43E-02  1.024E+00  1.36E+00  0.00E+00  0.00E+00   beta=4.86E-03 dim=010 maxd=1.1E-02 dsplr=3.97157E-01 dsplp=3.97157E-01
     24    24  (MHGPS) GEOPT_SQNM  -1.69485330535439E+02  -1.19E-02  1.340E+00  2.07E+00  0.00E+00  0.00E+00   beta=5.35E-03 dim=010 maxd=1.3E-02 dsplr=4.11725E-01 dsplp=4.11725E-01
     25    25  (MHGPS) GEOPT_SQNM  -1.69495942516773E+02  -1.06E-02  9.390E-01  1.73E+00  0.00E+00  0.00E+00   beta=4.54E-03 dim=010 maxd=1.0E-02 dsplr=4.26342E-01 dsplp=4.26342E-01
     26    26  (MHGPS) GEOPT_SQNM  -1.69504689618088E+02  -8.75E-03  8.574E-01  1.74E+00  0.00E+00  0.00E+00   beta=3.86E-03 dim=010 maxd=1.8E-02 dsplr=4.46334E-01 dsplp=4.46334E-01
     27    27  (MHGPS) GEOPT_SQNM  -1.69512616365802E+02  -7.93E-03  3.427E-01  6.31E-01  0.00E+00  0.00E+00   beta=3.28E-03 dim=010 maxd=8.5E-03 dsplr=4.60670E-01 dsplp=4.60670E-01
     28    28  (MHGPS) GEOPT_SQNM  -1.69514193909027E+02  -1.58E-03  2.390E-01  4.10E-01  0.00E+00  0.00E+00   beta=2.79E-03 dim=010 maxd=3.4E-03 dsplr=4.64841E-01 dsplp=4.64841E-01
     29    29  (MHGPS) GEOPT_SQNM  -1.69515456915767E+02  -1.26E-03  1.830E-01  2.89E-01  0.00E+00  0.00E+00   beta=3.07E-03 dim=010 maxd=3.5E-03 dsplr=4.69867E-01 dsplp=4.69867E-01
     30    30  (MHGPS) GEOPT_SQNM  -1.69516227444159E+02  -7.71E-04  1.054E-01  2.57E-01  0.00E+00  0.00E+00   beta=3.38E-03 dim=010 maxd=3.4E-03 dsplr=4.74018E-01 dsplp=4.74018E-01
     31    31  (MHGPS) GEOPT_SQNM  -1.69516691054611E+02  -4.64E-04  1.174E-01  2.13E-01  0.00E+00  0.00E+00   beta=3.71E-03 dim=010 maxd=1.8E-03 dsplr=4.77535E-01 dsplp=4.77535E-01
     32    32  (MHGPS) GEOPT_SQNM  -1.69517141261385E+02  -4.50E-04  5.542E-02  1.60E-01  0.00E+00  0.00E+00   beta=4.09E-03 dim=009 maxd=5.0E-03 dsplr=4.83543E-01 dsplp=4.83543E-01
     33    33  (MHGPS) GEOPT_SQNM  -1.69517272737517E+02  -1.31E-04  8.832E-02  1.57E-01  0.00E+00  0.00E+00   beta=3.47E-03 dim=010 maxd=6.4E-04 dsplr=4.85324E-01 dsplp=4.85324E-01
     34    34  (MHGPS) GEOPT_SQNM  -1.69517347488726E+02  -7.48E-05  6.568E-02  1.32E-01  0.00E+00  0.00E+00   beta=2.95E-03 dim=010 maxd=5.5E-04 dsplr=4.86638E-01 dsplp=4.86638E-01
     35    35  (MHGPS) GEOPT_SQNM  -1.69517390818646E+02  -4.33E-05  4.276E-02  8.18E-02  0.00E+00  0.00E+00   beta=2.51E-03 dim=010 maxd=5.5E-04 dsplr=4.87655E-01 dsplp=4.87655E-01
     36    36  (MHGPS) GEOPT_SQNM  -1.69517411565611E+02  -2.07E-05  1.711E-02  5.74E-02  0.00E+00  0.00E+00   beta=2.13E-03 dim=010 maxd=2.5E-04 dsplr=4.88302E-01 dsplp=4.88302E-01
     37    37  (MHGPS) GEOPT_SQNM  -1.69517423093057E+02  -1.15E-05  1.313E-02  4.57E-02  0.00E+00  0.00E+00   beta=2.35E-03 dim=010 maxd=2.1E-04 dsplr=4.88775E-01 dsplp=4.88775E-01
     38    38  (MHGPS) GEOPT_SQNM  -1.69517432108409E+02  -9.02E-06  1.079E-02  3.69E-02  0.00E+00  0.00E+00   beta=2.58E-03 dim=010 maxd=1.4E-04 dsplr=4.89160E-01 dsplp=4.89160E-01
     39    39  (MHGPS) GEOPT_SQNM  -1.69517437261024E+02  -5.15E-06  8.404E-03  2.86E-02  0.00E+00  0.00E+00   beta=2.84E-03 dim=010 maxd=8.6E-05 dsplr=4.89411E-01 dsplp=4.89411E-01
     40    40  (MHGPS) GEOPT_SQNM  -1.69517441476301E+02  -4.22E-06  7.263E-03  2.40E-02  0.00E+00  0.00E+00   beta=3.12E-03 dim=010 maxd=9.5E-05 dsplr=4.89676E-01 dsplp=4.89676E-01
     41    41  (MHGPS) GEOPT_SQNM  -1.69517445200910E+02  -3.72E-06  6.495E-03  2.04E-02  0.00E+00  0.00E+00   beta=3.44E-03 dim=010 maxd=9.6E-05 dsplr=4.89966E-01 dsplp=4.89966E-01
     42    42  (MHGPS) GEOPT_SQNM  -1.69517447126520E+02  -1.93E-06  7.652E-03  1.76E-02  0.00E+00  0.00E+00   beta=3.78E-03 dim=010 maxd=6.2E-05 dsplr=4.90141E-01 dsplp=4.90141E-01
     43    43  (MHGPS) GEOPT_SQNM  -1.69517448458843E+02  -1.33E-06  7.445E-03  1.59E-02  0.00E+00  0.00E+00   beta=4.16E-03 dim=010 maxd=6.3E-05 dsplr=4.90300E-01 dsplp=4.90300E-01
     44    44  (MHGPS) GEOPT_SQNM  -1.69517449233488E+02  -7.75E-07  1.530E-02  2.31E-02  0.00E+00  0.00E+00   beta=4.57E-03 dim=010 maxd=5.8E-05 dsplr=4.90429E-01 dsplp=4.90429E-01
     45    45  (MHGPS) GEOPT_SQNM  -1.69517450138537E+02  -9.05E-07  1.086E-02  1.93E-02  0.00E+00  0.00E+00   beta=3.89E-03 dim=010 maxd=6.0E-05 dsplr=4.90554E-01 dsplp=4.90554E-01
     46    46  (MHGPS) GEOPT_SQNM  -1.69517451055077E+02  -9.17E-07  8.009E-03  1.37E-02  0.00E+00  0.00E+00   beta=3.30E-03 dim=010 maxd=7.7E-05 dsplr=4.90702E-01 dsplp=4.90702E-01
     47    47  (MHGPS) GEOPT_SQNM  -1.69517451660602E+02  -6.06E-07  3.839E-03  9.01E-03  0.00E+00  0.00E+00   beta=2.81E-03 dim=010 maxd=7.1E-05 dsplr=4.90828E-01 dsplp=4.90828E-01
     48    48  (MHGPS) GEOPT_SQNM  -1.69517452147021E+02  -4.86E-07  3.350E-03  7.30E-03  0.00E+00  0.00E+00   beta=3.09E-03 dim=010 maxd=7.8E-05 dsplr=4.90957E-01 dsplp=4.90957E-01
     49    49  (MHGPS) GEOPT_SQNM  -1.69517452524798E+02  -3.78E-07  2.887E-03  6.61E-03  0.00E+00  0.00E+00   beta=3.40E-03 dim=010 maxd=7.4E-05 dsplr=4.91071E-01 dsplp=4.91071E-01
     50    50  (MHGPS) GEOPT_SQNM  -1.69517452751257E+02  -2.26E-07  2.649E-03  5.41E-03  0.00E+00  0.00E+00   beta=3.74E-03 dim=010 maxd=5.3E-05 dsplr=4.91147E-01 dsplp=4.91147E-01
     51    51  (MHGPS) GEOPT_SQNM  -1.69517452954937E+02  -2.04E-07  2.246E-03  4.93E-03  0.00E+00  0.00E+00   beta=4.11E-03 dim=010 maxd=5.5E-05 dsplr=4.91224E-01 dsplp=4.91224E-01
     52    52  (MHGPS) GEOPT_SQNM  -1.69517453128928E+02  -1.74E-07  1.901E-03  4.80E-03  0.00E+00  0.00E+00   beta=4.52E-03 dim=010 maxd=5.2E-05 dsplr=4.91293E-01 dsplp=4.91293E-01
     53    53  (MHGPS) GEOPT_SQNM  -1.69517453273565E+02  -1.45E-07  2.958E-03  4.90E-03  0.00E+00  0.00E+00   beta=4.97E-03 dim=010 maxd=5.0E-05 dsplr=4.91360E-01 dsplp=4.91360E-01
     54    54  (MHGPS) GEOPT_SQNM  -1.69517453400026E+02  -1.26E-07  1.743E-03  3.68E-03  0.00E+00  0.00E+00   beta=5.47E-03 dim=010 maxd=5.0E-05 dsplr=4.91427E-01 dsplp=4.91427E-01
     55    55  (MHGPS) GEOPT_SQNM  -1.69517453485263E+02  -8.52E-08  2.051E-03  3.64E-03  0.00E+00  0.00E+00   beta=6.02E-03 dim=010 maxd=4.5E-05 dsplr=4.91487E-01 dsplp=4.91487E-01
     56    56  (MHGPS) GEOPT_SQNM  -1.69517453522740E+02  -3.75E-08  3.007E-03  4.77E-03  0.00E+00  0.00E+00   beta=5.12E-03 dim=010 maxd=2.8E-05 dsplr=4.91528E-01 dsplp=4.91528E-01
     57    57  (MHGPS) GEOPT_SQNM  -1.69517453552948E+02  -3.02E-08  2.503E-03  4.09E-03  0.00E+00  0.00E+00   beta=4.35E-03 dim=010 maxd=2.4E-05 dsplr=4.91562E-01 dsplp=4.91562E-01
     58    58  (MHGPS) GEOPT_SQNM  -1.69517453568084E+02  -1.51E-08  2.095E-03  3.33E-03  0.00E+00  0.00E+00   beta=3.70E-03 dim=010 maxd=1.2E-05 dsplr=4.91583E-01 dsplp=4.91583E-01
     59    59  (MHGPS) GEOPT_SQNM  -1.69517453582471E+02  -1.44E-08  9.152E-04  1.54E-03  0.00E+00  0.00E+00   beta=3.14E-03 dim=010 maxd=1.1E-05 dsplr=4.91601E-01 dsplp=4.91601E-01
     60    60  (MHGPS) GEOPT_SQNM  -1.69517453587682E+02  -5.21E-09  3.893E-04  7.92E-04  0.00E+00  0.00E+00   beta=2.67E-03 dim=010 maxd=7.2E-06 dsplr=4.91613E-01 dsplp=4.91613E-01
     61    61  (MHGPS) GEOPT_SQNM  -1.69517453589600E+02  -1.92E-09  1.909E-04  5.47E-04  0.00E+00  0.00E+00   beta=2.27E-03 dim=010 maxd=3.9E-06 dsplr=4.91620E-01 dsplp=4.91620E-01
     62    62  (MHGPS) GEOPT_SQNM  -1.69517453590846E+02  -1.25E-09  1.266E-04  4.34E-04  0.00E+00  0.00E+00   beta=2.50E-03 dim=010 maxd=2.3E-06 dsplr=4.91625E-01 dsplp=4.91625E-01
     63    63  (MHGPS) GEOPT_SQNM  -1.69517453591590E+02  -7.44E-10  1.079E-04  3.36E-04  0.00E+00  0.00E+00   beta=2.75E-03 dim=010 maxd=1.4E-06 dsplr=4.91629E-01 dsplp=4.91629E-01
     64    64  (MHGPS) GEOPT_SQNM  -1.69517453592042E+02  -4.53E-10  9.522E-05  2.68E-04  0.00E+00  0.00E+00   beta=3.02E-03 dim=010 maxd=1.1E-06 dsplr=4.91631E-01 dsplp=4.91631E-01
  (MHGPS) SQNM converged at iteration  64. Needed energy calls:  64
  (MHGPS)ediff, fpdist  MS  4.9053922E-01  1.1149581E-02
  (MHGPS)ediff, fpdist  MM  9.6479559E-02  1.9217253E-02
  (MHGPS)ediff, fpdist  MM  1.2850023E-09  3.5894824E-07
  (MHGPS)ediff, fpdist  MM  1.4581186E+00  2.4174030E-02
  (MHGPS)ediff, fpdist  MM  1.3616391E+00  2.6519031E-02
   (MHGPS)connection check rnr and not lnl T F
   (MHGPS)connection check rnr and not lnl   1.45459089813080     
  (MHGPS) connection check connected -1.70975572218999986E+02 -1.69517453592042443E+02
    #(MHGPS) nsad:1; connect minima with following energies
    #(MHGPS) -170.8790926601544 and
    #(MHGPS) -170.975572219
  (MHGPS)ediff, fpdist  MM  9.6479559E-02  1.9217253E-02
    #-------------------------------------------------- (MHGPS) Generating TS input guess ....
    #(MHGPS) entering grow_freezstring
     (MHGPS) 001  1.014E+01 -1.701E+02  1.012E+01 -1.702E+02
     (MHGPS) 001  1.217E+01 -1.688E+02  1.217E+01 -1.689E+02
     (MHGPS) 001  1.326E+01 -1.677E+02  1.318E+01 -1.679E+02
     (MHGPS) 001  1.284E+01 -1.672E+02  1.276E+01 -1.673E+02
     (MHGPS) 001  1.114E+01 -1.671E+02  1.114E+01 -1.671E+02
   (MHGPS) No. Energy evaluations for TS guess:  20.0
    #-------------------------------------------------------- (MHGPS) Start Saddle Search ....
    #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    ndim dspl         alpha_strtch
     (MHGPS) GEOPT  0001 0000 -1.67216824638889E+02  0.00E+00  4.79E+00  9.49E+00  1.00E-03 000  0.00000E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.38047513167933E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0002 0000 -1.86245678924643E+01  0.00E+00  3.71E+01  6.61E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0003 0001 -2.18356329555383E+01 -3.21E+00  1.61E+01  3.31E+01  1.00E-03 000  2.00E-04  9.98E-01  6.60896E-02  6.59817E-02
  #  (MHGPS) CUOPT  0004 0002 -2.29642025055923E+01 -1.13E+00  7.18E+00  1.65E+01  1.10E-03 001  2.00E-04  9.93E-01  1.22033E-01  1.21818E-01
  #  (MHGPS) CUOPT  0005 0003 -2.33414842838753E+01 -3.77E-01  4.00E+00  1.21E+01  1.21E-03 002  2.00E-04  9.90E-01  1.54053E-01  1.53837E-01
  #  (MHGPS) CUOPT  0006 0004 -2.35936414364807E+01 -2.52E-01  4.15E+00  9.88E+00  1.33E-03 003  2.00E-04  9.88E-01  1.82376E-01  1.82065E-01
  #  (MHGPS) CUOPT  0007 0005 -2.37930515192610E+01 -1.99E-01  3.99E+00  7.98E+00  1.46E-03 004  2.00E-04  9.85E-01  2.09717E-01  2.09373E-01
  #  (MHGPS) CUOPT  0008 0006 -2.39720558744222E+01 -1.79E-01  3.57E+00  6.38E+00  1.61E-03 005  2.00E-04  9.81E-01  2.42017E-01  2.41542E-01
  #  (MHGPS) CUOPT  0009 0007 -2.41126951163365E+01 -1.41E-01  2.58E+00  5.28E+00  1.77E-03 005  2.00E-04  9.76E-01  2.78581E-01  2.78064E-01
  #  (MHGPS) CUOPT  0010 0008 -2.42026615068697E+01 -9.00E-02  1.84E+00  4.34E+00  1.95E-03 005  2.00E-04  9.72E-01  3.08158E-01  3.07627E-01
   (MHGPS) minmode overlap               :  0.9716821587925699
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0011 0001 -1.67301602556832E+02 -8.48E-02  4.36E+00  8.51E+00  1.00E-03 000  9.49384E-03  4.00E-04
  #  (MHGPS) GEOPT  0012 0002 -1.67619208941006E+02 -3.18E-01  3.36E+00  6.68E+00  1.10E-03 001  6.30895E-02  4.00E-04
  #  (MHGPS) GEOPT  0013 0003 -1.67701553359722E+02 -8.23E-02  3.46E+00  6.38E+00  1.21E-03 002  7.81815E-02  4.00E-04
  #  (MHGPS) GEOPT  0014 0004 -1.68123978445698E+02 -4.22E-01  4.52E+00  7.23E+00  1.33E-03 003  1.66936E-01  4.00E-04
  #  (MHGPS) GEOPT  0015 0005 -1.68362451992847E+02 -2.38E-01  3.92E+00  7.50E+00  1.46E-03 003  2.33768E-01  4.00E-04
   (MHGPS) resize step                   :  5.5229517358429812E-002
  #  (MHGPS) GEOPT  0016 0006 -1.68562310975757E+02 -2.00E-01  3.18E+00  6.40E+00  1.61E-03 004  2.79640E-01  4.00E-04
   (MHGPS) resize step                   :  5.1883502789226939E-002
  #  (MHGPS) GEOPT  0017 0007 -1.68704206307418E+02 -1.42E-01  3.53E+00  6.37E+00  1.77E-03 004  3.23507E-01  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.47320944948873E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0018 0000 -9.38638063189200E+00  0.00E+00  3.99E+01  6.75E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0019 0001 -1.28901164857499E+01 -3.50E+00  2.20E+01  4.01E+01  1.00E-03 000  2.00E-04  9.98E-01  6.75305E-02  6.74153E-02
  #  (MHGPS) CUOPT  0020 0002 -1.47950671124925E+01 -1.90E+00  1.14E+01  2.49E+01  1.10E-03 001  2.00E-04  9.91E-01  1.38601E-01  1.38277E-01
  #  (MHGPS) CUOPT  0021 0003 -1.57262744813879E+01 -9.31E-01  7.07E+00  1.68E+01  1.21E-03 002  2.00E-04  9.83E-01  1.98045E-01  1.97718E-01
  #  (MHGPS) CUOPT  0022 0004 -1.61598211521128E+01 -4.34E-01  5.44E+00  1.21E+01  1.33E-03 003  2.00E-04  9.78E-01  2.36485E-01  2.35842E-01
  #  (MHGPS) CUOPT  0023 0005 -1.64104353954972E+01 -2.51E-01  4.03E+00  8.84E+00  1.46E-03 004  2.00E-04  9.74E-01  2.65937E-01  2.65183E-01
  #  (MHGPS) CUOPT  0024 0006 -1.65834581280008E+01 -1.73E-01  3.23E+00  6.80E+00  1.61E-03 005  2.00E-04  9.70E-01  2.95374E-01  2.94449E-01
  #  (MHGPS) CUOPT  0025 0007 -1.66950194041442E+01 -1.12E-01  2.29E+00  5.19E+00  1.77E-03 005  2.00E-04  9.65E-01  3.22573E-01  3.21624E-01
  #  (MHGPS) CUOPT  0026 0008 -1.67645350675087E+01 -6.95E-02  1.48E+00  3.42E+00  1.95E-03 005  2.00E-04  9.62E-01  3.47636E-01  3.46677E-01
   (MHGPS) minmode overlap               :  0.96161172904287
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0027 0008 -1.68872362450460E+02 -1.68E-01  2.96E+00  5.52E+00  1.95E-03 005  3.64618E-01  4.00E-04
  #  (MHGPS) GEOPT  0028 0009 -1.69010566992703E+02 -1.38E-01  1.97E+00  4.77E+00  2.14E-03 006  4.04298E-01  4.00E-04
   (MHGPS) resize step                   :  6.1625031409890584E-002
  #  (MHGPS) GEOPT  0029 0010 -1.69105596841120E+02 -9.50E-02  1.94E+00  4.48E+00  2.36E-03 006  4.48806E-01  4.00E-04
  #  (MHGPS) GEOPT  0030 0011 -1.69184597217877E+02 -7.90E-02  1.60E+00  3.48E+00  2.59E-03 007  4.81553E-01  4.00E-04
  #  (MHGPS) GEOPT  0031 0012 -1.69267978409822E+02 -8.34E-02  1.24E+00  3.53E+00  2.85E-03 007  5.41128E-01  4.00E-04
  #  (MHGPS) GEOPT  0032 0013 -1.69299619512587E+02 -3.16E-02  1.17E+00  2.58E+00  2.43E-03 008  5.58882E-01  4.00E-04
  #  (MHGPS) GEOPT  0033 0014 -1.69320996616047E+02 -2.14E-02  7.88E-01  2.07E+00  2.67E-03 009  5.70506E-01  4.00E-04
  #  (MHGPS) GEOPT  0034 0015 -1.69344777777740E+02 -2.38E-02  7.61E-01  1.95E+00  2.93E-03 010  5.86778E-01  4.00E-04
  #  (MHGPS) GEOPT  0035 0016 -1.69368506240314E+02 -2.37E-02  7.77E-01  1.98E+00  3.23E-03 011  6.03396E-01  4.00E-04
  #  (MHGPS) GEOPT  0036 0017 -1.69386120715150E+02 -1.76E-02  8.29E-01  1.82E+00  3.55E-03 012  6.15244E-01  4.00E-04
  #  (MHGPS) GEOPT  0037 0018 -1.69442664817471E+02 -5.65E-02  8.33E-01  2.04E+00  3.91E-03 012  6.55145E-01  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.46965685779613E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0038 0000  1.24323993626244E+01  0.00E+00  6.52E+01  9.69E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0039 0001  5.55227672126095E+00 -6.88E+00  2.72E+01  5.39E+01  1.00E-03 000  2.00E-04  9.95E-01  9.68991E-02  9.65600E-02
  #  (MHGPS) CUOPT  0040 0002  2.33349498398782E+00 -3.22E+00  1.42E+01  3.91E+01  1.10E-03 001  2.00E-04  9.85E-01  1.76566E-01  1.75942E-01
  #  (MHGPS) CUOPT  0041 0003 -6.45628908600493E-01 -2.98E+00  1.26E+01  2.91E+01  1.21E-03 002  2.00E-04  9.64E-01  2.92147E-01  2.91233E-01
  #  (MHGPS) CUOPT  0042 0004 -2.02074089025596E+00 -1.38E+00  1.12E+01  2.11E+01  1.33E-03 003  2.00E-04  9.50E-01  3.61075E-01  3.59755E-01
  #  (MHGPS) CUOPT  0043 0005 -2.93732132474027E+00 -9.17E-01  1.01E+01  1.62E+01  1.46E-03 003  2.00E-04  9.33E-01  4.26519E-01  4.24802E-01
  #  (MHGPS) CUOPT  0044 0006 -3.66128688801742E+00 -7.24E-01  8.98E+00  1.40E+01  1.61E-03 004  2.00E-04  9.13E-01  4.96885E-01  4.94943E-01
  #  (MHGPS) CUOPT  0045 0007 -4.24454614801042E+00 -5.83E-01  7.90E+00  1.37E+01  1.77E-03 005  2.00E-04  8.98E-01  5.59165E-01  5.57125E-01
  #  (MHGPS) CUOPT  0046 0008 -4.86320779080362E+00 -6.19E-01  6.29E+00  1.19E+01  1.95E-03 005  2.00E-04  8.82E-01  6.31239E-01  6.29070E-01
  #  (MHGPS) CUOPT  0047 0009 -5.31914220344890E+00 -4.56E-01  4.78E+00  1.12E+01  2.14E-03 005  2.00E-04  8.63E-01  6.93570E-01  6.90982E-01
  #  (MHGPS) CUOPT  0048 0010 -5.79126379153586E+00 -4.72E-01  4.29E+00  1.18E+01  2.36E-03 005  2.00E-04  8.36E-01  7.69713E-01  7.66573E-01
  #  (MHGPS) CUOPT  0049 0011 -6.18506868712680E+00 -3.94E-01  6.31E+00  1.45E+01  2.59E-03 005  2.00E-04  8.11E-01  8.40137E-01  8.36544E-01
  #  (MHGPS) CUOPT  0050 0012 -6.65795938901700E+00 -4.73E-01  5.69E+00  1.33E+01  2.85E-03 005  2.00E-04  7.77E-01  9.28049E-01  9.23715E-01
  #  (MHGPS) CUOPT  0051 0013 -6.97971767563450E+00 -3.22E-01  9.31E+00  1.87E+01  3.14E-03 005  2.00E-04  7.45E-01  1.00821E+00  1.00333E+00
  #  (MHGPS) CUOPT  0052 0014 -7.25701337789226E+00 -2.77E-01  1.02E+01  2.06E+01  2.67E-03 005  2.00E-04  7.17E-01  1.08279E+00  1.07754E+00
  #  (MHGPS) CUOPT  0053 0015 -7.60715957090393E+00 -3.50E-01  6.54E+00  1.37E+01  2.27E-03 005  2.00E-04  6.88E-01  1.15546E+00  1.14973E+00
  #  (MHGPS) CUOPT  0054 0016 -7.88883531160315E+00 -2.82E-01  2.86E+00  7.53E+00  1.93E-03 005  2.00E-04  6.55E-01  1.23003E+00  1.22386E+00
  #  (MHGPS) CUOPT  0055 0017 -8.07458285085782E+00 -1.86E-01  2.84E+00  6.59E+00  2.12E-03 005  2.00E-04  6.30E-01  1.29263E+00  1.28646E+00
  #  (MHGPS) CUOPT  0056 0018 -8.19157245282447E+00 -1.17E-01  3.94E+00  7.79E+00  2.33E-03 005  2.00E-04  6.10E-01  1.34154E+00  1.33527E+00
  #  (MHGPS) CUOPT  0057 0019 -8.27880206344958E+00 -8.72E-02  3.79E+00  7.76E+00  1.98E-03 005  2.00E-04  5.97E-01  1.37984E+00  1.37357E+00
  #  (MHGPS) CUOPT  0058 0020 -8.35016676199604E+00 -7.14E-02  1.91E+00  4.15E+00  1.68E-03 005  2.00E-04  5.87E-01  1.41041E+00  1.40414E+00
   (MHGPS) minmode overlap               :  0.5872183595830194
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0059 0019 -1.69454850987189E+02 -1.22E-02  9.14E-01  2.12E+00  4.30E-03 013  6.91697E-01  4.00E-04
  #  (MHGPS) GEOPT  0060 0020 -1.69469968190014E+02 -1.51E-02  7.78E-01  1.98E+00  4.73E-03 014  7.21484E-01  4.00E-04
  #  (MHGPS) GEOPT  0061 0021 -1.69487272139834E+02 -1.73E-02  7.97E-01  2.06E+00  5.20E-03 015  7.47707E-01  4.00E-04
  #  (MHGPS) GEOPT  0062 0022 -1.69504085936234E+02 -1.68E-02  7.19E-01  1.78E+00  5.72E-03 016  7.79367E-01  4.00E-04
  #  (MHGPS) GEOPT  0063 0023 -1.69508302355545E+02 -4.22E-03  6.89E-01  1.82E+00  6.29E-03 017  8.04463E-01  4.00E-04
  #  (MHGPS) GEOPT  0064 0024 -1.69512475421493E+02 -4.17E-03  6.81E-01  1.69E+00  6.92E-03 018  8.23866E-01  4.00E-04
  #  (MHGPS) GEOPT  0065 0025 -1.69518063467569E+02 -5.59E-03  7.76E-01  1.92E+00  7.61E-03 019  8.40174E-01  4.00E-04
  #  (MHGPS) GEOPT  0066 0026 -1.69525786708314E+02 -7.72E-03  9.55E-01  2.11E+00  6.47E-03 020  8.60289E-01  4.00E-04
  #  (MHGPS) GEOPT  0067 0027 -1.69536153576839E+02 -1.04E-02  9.08E-01  1.85E+00  5.50E-03 021  8.79695E-01  4.00E-04
  #  (MHGPS) GEOPT  0068 0028 -1.69546069153091E+02 -9.92E-03  4.79E-01  1.44E+00  4.67E-03 021  9.06795E-01  4.00E-04
  #  (MHGPS) GEOPT  0069 0029 -1.69553097941350E+02 -7.03E-03  5.16E-01  1.37E+00  5.14E-03 022  9.28133E-01  4.00E-04
  #  (MHGPS) GEOPT  0070 0030 -1.69561786218302E+02 -8.69E-03  4.08E-01  1.28E+00  5.66E-03 023  9.44830E-01  4.00E-04
  #  (MHGPS) GEOPT  0071 0031 -1.69570154286414E+02 -8.37E-03  4.06E-01  1.11E+00  6.22E-03 023  9.66925E-01  4.00E-04
  #  (MHGPS) GEOPT  0072 0032 -1.69575050318966E+02 -4.90E-03  4.62E-01  1.37E+00  6.84E-03 024  9.85666E-01  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.77625418651388E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0073 0000  1.00139967377855E+01  0.00E+00  3.64E+01  6.51E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0074 0001  6.97622986117754E+00 -3.04E+00  2.46E+01  4.10E+01  1.00E-03 000  2.00E-04  9.98E-01  6.50713E-02  6.49682E-02
  #  (MHGPS) CUOPT  0075 0002  5.20160697300377E+00 -1.77E+00  1.84E+01  3.22E+01  1.10E-03 001  2.00E-04  9.94E-01  1.16286E-01  1.16119E-01
  #  (MHGPS) CUOPT  0076 0003  3.13547108579777E+00 -2.07E+00  1.50E+01  2.82E+01  1.21E-03 002  2.00E-04  9.82E-01  2.01649E-01  2.01104E-01
  #  (MHGPS) CUOPT  0077 0004  1.07836302220595E+00 -2.06E+00  1.24E+01  2.76E+01  1.33E-03 003  2.00E-04  9.60E-01  3.09579E-01  3.08783E-01
  #  (MHGPS) CUOPT  0078 0005 -9.33873006634421E-01 -2.01E+00  1.03E+01  2.35E+01  1.46E-03 004  2.00E-04  9.33E-01  4.17947E-01  4.14550E-01
  #  (MHGPS) CUOPT  0079 0006 -2.56809928244592E+00 -1.63E+00  7.26E+00  1.80E+01  1.61E-03 004  2.00E-04  8.92E-01  5.32304E-01  5.27032E-01
  #  (MHGPS) CUOPT  0080 0007 -3.79786435388803E+00 -1.23E+00  5.33E+00  1.45E+01  1.77E-03 005  2.00E-04  8.40E-01  6.54366E-01  6.47126E-01
  #  (MHGPS) CUOPT  0081 0008 -4.44511295085045E+00 -6.47E-01  3.86E+00  1.13E+01  1.95E-03 005  2.00E-04  7.96E-01  7.44529E-01  7.36442E-01
  #  (MHGPS) CUOPT  0082 0009 -4.74783172738729E+00 -3.03E-01  3.95E+00  1.10E+01  2.14E-03 005  2.00E-04  7.77E-01  7.92480E-01  7.84370E-01
  #  (MHGPS) CUOPT  0083 0010 -4.99932830006227E+00 -2.51E-01  5.60E+00  1.16E+01  2.36E-03 005  2.00E-04  7.60E-01  8.38574E-01  8.30178E-01
  #  (MHGPS) CUOPT  0084 0011 -5.22042313486121E+00 -2.21E-01  4.36E+00  1.12E+01  2.59E-03 005  2.00E-04  7.49E-01  8.81853E-01  8.73462E-01
  #  (MHGPS) CUOPT  0085 0012 -5.42609829543690E+00 -2.06E-01  2.91E+00  8.40E+00  2.20E-03 005  2.00E-04  7.37E-01  9.25213E-01  9.16664E-01
  #  (MHGPS) CUOPT  0086 0013 -5.63191268487402E+00 -2.06E-01  2.57E+00  7.18E+00  2.43E-03 005  2.00E-04  7.26E-01  9.75591E-01  9.66954E-01
  #  (MHGPS) CUOPT  0087 0014 -5.80418567906885E+00 -1.72E-01  3.11E+00  7.17E+00  2.67E-03 005  2.00E-04  7.16E-01  1.02163E+00  1.01292E+00
  #  (MHGPS) CUOPT  0088 0015 -5.97132177979736E+00 -1.67E-01  4.36E+00  8.96E+00  2.93E-03 005  2.00E-04  7.04E-01  1.07625E+00  1.06744E+00
  #  (MHGPS) CUOPT  0089 0016 -6.11595096713017E+00 -1.45E-01  5.25E+00  9.22E+00  2.49E-03 005  2.00E-04  6.91E-01  1.13090E+00  1.12191E+00
  #  (MHGPS) CUOPT  0090 0017 -6.21719598614420E+00 -1.01E-01  5.61E+00  9.46E+00  2.12E-03 005  2.00E-04  6.78E-01  1.17782E+00  1.16871E+00
  #  (MHGPS) CUOPT  0091 0018 -6.29877374952208E+00 -8.16E-02  3.37E+00  7.00E+00  1.80E-03 005  2.00E-04  6.68E-01  1.21424E+00  1.20511E+00
  #  (MHGPS) CUOPT  0092 0019 -6.35751366336651E+00 -5.87E-02  2.08E+00  4.58E+00  1.53E-03 005  2.00E-04  6.57E-01  1.24529E+00  1.23611E+00
   (MHGPS) minmode overlap               :  0.6573640186208144
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0093 0033 -1.69588010235250E+02 -1.30E-02  5.13E-01  1.32E+00  7.53E-03 024  1.00144E+00  4.00E-04
  #  (MHGPS) GEOPT  0094 0034 -1.69596096631828E+02 -8.09E-03  1.20E+00  2.35E+00  8.28E-03 024  1.01928E+00  4.00E-04
  #  (MHGPS) GEOPT  0095 0035 -1.69608603057932E+02 -1.25E-02  1.28E+00  2.88E+00  7.04E-03 025  1.04384E+00  4.00E-04
  #  (MHGPS) GEOPT  0096 0036 -1.69619270896250E+02 -1.07E-02  1.06E+00  3.04E+00  5.98E-03 025  1.06630E+00  4.00E-04
  #  (MHGPS) GEOPT  0097 0037 -1.69638842332260E+02 -1.96E-02  7.79E-01  1.87E+00  5.09E-03 025  1.08669E+00  4.00E-04
  #  (MHGPS) GEOPT  0098 0038 -1.69653782514714E+02 -1.49E-02  6.02E-01  1.53E+00  4.32E-03 025  1.10613E+00  4.00E-04
  #  (MHGPS) GEOPT  0099 0039 -1.69669385693678E+02 -1.56E-02  5.57E-01  1.40E+00  4.75E-03 025  1.12745E+00  4.00E-04
  #  (MHGPS) GEOPT  0100 0040 -1.69689111820056E+02 -1.97E-02  6.10E-01  1.48E+00  5.23E-03 025  1.15542E+00  4.00E-04
  #  (MHGPS) GEOPT  0101 0041 -1.69705603172109E+02 -1.65E-02  9.01E-01  1.95E+00  5.75E-03 025  1.18145E+00  4.00E-04
  #  (MHGPS) GEOPT  0102 0042 -1.69721789992667E+02 -1.62E-02  1.08E+00  2.08E+00  6.33E-03 025  1.20534E+00  4.00E-04
  #  (MHGPS) GEOPT  0103 0043 -1.69740469595397E+02 -1.87E-02  6.26E-01  1.80E+00  5.38E-03 025  1.23004E+00  4.00E-04
  #  (MHGPS) GEOPT  0104 0044 -1.69756634858569E+02 -1.62E-02  8.93E-01  1.92E+00  5.92E-03 025  1.24995E+00  4.00E-04
  #  (MHGPS) GEOPT  0105 0045 -1.69771545802929E+02 -1.49E-02  6.81E-01  1.52E+00  5.03E-03 025  1.27017E+00  4.00E-04
  #  (MHGPS) GEOPT  0106 0046 -1.69780510293061E+02 -8.96E-03  7.39E-01  1.49E+00  5.53E-03 025  1.28871E+00  4.00E-04
  #  (MHGPS) GEOPT  0107 0047 -1.69785272503321E+02 -4.76E-03  6.80E-01  1.45E+00  4.70E-03 025  1.30680E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.57595495662945E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0108 0000 -3.55828667447447E+00  0.00E+00  2.36E+01  5.18E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0109 0001 -5.65123377899562E+00 -2.09E+00  1.60E+01  3.53E+01  1.00E-03 000  2.00E-04  9.99E-01  5.17607E-02  5.17087E-02
  #  (MHGPS) CUOPT  0110 0002 -7.22961492206584E+00 -1.58E+00  1.34E+01  2.89E+01  1.10E-03 001  2.00E-04  9.95E-01  1.05937E-01  1.05799E-01
  #  (MHGPS) CUOPT  0111 0003 -9.15824005100752E+00 -1.93E+00  1.07E+01  2.63E+01  1.21E-03 002  2.00E-04  9.82E-01  2.01213E-01  2.00692E-01
  #  (MHGPS) CUOPT  0112 0004 -1.10698708725027E+01 -1.91E+00  8.57E+00  2.38E+01  1.33E-03 003  2.00E-04  9.56E-01  3.22343E-01  3.21855E-01
  #  (MHGPS) CUOPT  0113 0005 -1.19463139806231E+01 -8.76E-01  6.42E+00  1.73E+01  1.46E-03 003  2.00E-04  9.39E-01  3.85698E-01  3.84710E-01
  #  (MHGPS) CUOPT  0114 0006 -1.27631680858010E+01 -8.17E-01  5.89E+00  1.34E+01  1.61E-03 004  2.00E-04  9.12E-01  4.71026E-01  4.69285E-01
  #  (MHGPS) CUOPT  0115 0007 -1.33043438447829E+01 -5.41E-01  5.22E+00  1.16E+01  1.77E-03 005  2.00E-04  8.87E-01  5.42164E-01  5.40150E-01
  #  (MHGPS) CUOPT  0116 0008 -1.37324589185713E+01 -4.28E-01  4.61E+00  9.54E+00  1.95E-03 005  2.00E-04  8.68E-01  6.02092E-01  5.99980E-01
  #  (MHGPS) CUOPT  0117 0009 -1.40367187054179E+01 -3.04E-01  4.08E+00  8.05E+00  2.14E-03 005  2.00E-04  8.51E-01  6.56129E-01  6.53899E-01
  #  (MHGPS) CUOPT  0118 0010 -1.42603402558212E+01 -2.24E-01  3.60E+00  6.67E+00  2.36E-03 005  2.00E-04  8.38E-01  7.01933E-01  6.99614E-01
  #  (MHGPS) CUOPT  0119 0011 -1.44498912160357E+01 -1.90E-01  2.86E+00  5.83E+00  2.59E-03 005  2.00E-04  8.20E-01  7.53076E-01  7.50527E-01
  #  (MHGPS) CUOPT  0120 0012 -1.45497535325455E+01 -9.99E-02  4.04E+00  7.79E+00  2.85E-03 005  2.00E-04  8.09E-01  7.89671E-01  7.87032E-01
  #  (MHGPS) CUOPT  0121 0013 -1.45842201423137E+01 -3.45E-02  8.05E+00  1.31E+01  2.43E-03 005  2.00E-04  7.98E-01  8.23408E-01  8.20641E-01
  #  (MHGPS) CUOPT  0122 0014 -1.46548946022733E+01 -7.07E-02  4.23E+00  8.80E+00  2.06E-03 005  2.00E-04  7.91E-01  8.49565E-01  8.46788E-01
  #  (MHGPS) CUOPT  0123 0015 -1.46800148816131E+01 -2.51E-02  3.24E+00  7.45E+00  1.75E-03 005  2.00E-04  7.87E-01  8.66660E-01  8.63873E-01
  #  (MHGPS) CUOPT  0124 0016 -1.47131915160864E+01 -3.32E-02  6.69E-01  2.00E+00  1.49E-03 005  2.00E-04  7.84E-01  8.82386E-01  8.79599E-01
   (MHGPS) minmode overlap               :  0.7844473484268484
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0125 0048 -1.69784554217268E+02  7.18E-04  4.34E-01  1.03E+00  4.00E-03 025  1.32238E+00  4.00E-04
  #  (MHGPS) GEOPT  0126 0049 -1.69785582528976E+02 -1.03E-03  2.32E-01  7.32E-01  3.40E-03 025  1.33231E+00  4.00E-04
  #  (MHGPS) GEOPT  0127 0050 -1.69787288584630E+02 -1.71E-03  2.92E-01  6.85E-01  2.89E-03 025  1.34023E+00  4.00E-04
  #  (MHGPS) GEOPT  0128 0051 -1.69788828210132E+02 -1.54E-03  1.59E-01  5.27E-01  3.18E-03 025  1.34639E+00  4.00E-04
  #  (MHGPS) GEOPT  0129 0052 -1.69791463797258E+02 -2.64E-03  2.34E-01  5.61E-01  3.49E-03 025  1.35596E+00  4.00E-04
  #  (MHGPS) GEOPT  0130 0053 -1.69793569916623E+02 -2.11E-03  1.59E-01  4.78E-01  3.84E-03 024  1.36524E+00  4.00E-04
  #  (MHGPS) GEOPT  0131 0054 -1.69795729371371E+02 -2.16E-03  1.88E-01  4.30E-01  4.23E-03 024  1.37422E+00  4.00E-04
  #  (MHGPS) GEOPT  0132 0055 -1.69797517032041E+02 -1.79E-03  1.03E-01  3.42E-01  4.65E-03 024  1.38170E+00  4.00E-04
  #  (MHGPS) GEOPT  0133 0056 -1.69799041585000E+02 -1.52E-03  9.40E-02  3.20E-01  5.12E-03 023  1.38952E+00  4.00E-04
  #  (MHGPS) GEOPT  0134 0057 -1.69800018896707E+02 -9.77E-04  1.07E-01  3.35E-01  5.63E-03 024  1.39457E+00  4.00E-04
  #  (MHGPS) GEOPT  0135 0058 -1.69800939208642E+02 -9.20E-04  1.28E-01  3.54E-01  6.19E-03 024  1.40064E+00  4.00E-04
  #  (MHGPS) GEOPT  0136 0059 -1.69801684184144E+02 -7.45E-04  1.50E-01  3.82E-01  6.81E-03 024  1.40578E+00  4.00E-04
  #  (MHGPS) GEOPT  0137 0060 -1.69802312439355E+02 -6.28E-04  1.22E-01  2.72E-01  5.79E-03 025  1.41018E+00  4.00E-04
  #  (MHGPS) GEOPT  0138 0061 -1.69802694965814E+02 -3.83E-04  1.27E-01  3.13E-01  6.37E-03 025  1.41403E+00  4.00E-04
  #  (MHGPS) GEOPT  0139 0062 -1.69803150103206E+02 -4.55E-04  5.58E-02  1.55E-01  5.41E-03 025  1.41897E+00  4.00E-04
  #  (MHGPS) GEOPT  0140 0063 -1.69803374441551E+02 -2.24E-04  4.41E-02  1.20E-01  5.95E-03 025  1.42194E+00  4.00E-04
  #  (MHGPS) GEOPT  0141 0064 -1.69803568125373E+02 -1.94E-04  4.56E-02  1.25E-01  6.55E-03 025  1.42474E+00  4.00E-04
  #  (MHGPS) GEOPT  0142 0065 -1.69803728927328E+02 -1.61E-04  3.89E-02  1.22E-01  7.20E-03 025  1.42762E+00  4.00E-04
  #  (MHGPS) GEOPT  0143 0066 -1.69803859767612E+02 -1.31E-04  6.61E-02  1.48E-01  7.92E-03 025  1.43036E+00  4.00E-04
  #  (MHGPS) GEOPT  0144 0067 -1.69803976633654E+02 -1.17E-04  6.13E-02  1.41E-01  6.74E-03 025  1.43271E+00  4.00E-04
  #  (MHGPS) GEOPT  0145 0068 -1.69804074361524E+02 -9.77E-05  5.21E-02  1.25E-01  5.73E-03 025  1.43457E+00  4.00E-04
  #  (MHGPS) GEOPT  0146 0069 -1.69804233104976E+02 -1.59E-04  7.36E-02  1.73E-01  6.30E-03 025  1.43792E+00  4.00E-04
  #  (MHGPS) GEOPT  0147 0070 -1.69804441700635E+02 -2.09E-04  6.71E-02  1.55E-01  5.35E-03 025  1.44201E+00  4.00E-04
  #  (MHGPS) GEOPT  0148 0071 -1.69804718119061E+02 -2.76E-04  5.12E-02  1.27E-01  5.89E-03 025  1.44723E+00  4.00E-04
  #  (MHGPS) GEOPT  0149 0072 -1.69805072989783E+02 -3.55E-04  7.26E-02  1.56E-01  6.48E-03 025  1.45379E+00  4.00E-04
  #  (MHGPS) GEOPT  0150 0073 -1.69805560572494E+02 -4.88E-04  1.32E-01  2.54E-01  7.12E-03 025  1.46288E+00  4.00E-04
  #  (MHGPS) GEOPT  0151 0074 -1.69805966631549E+02 -4.06E-04  1.34E-01  2.89E-01  6.06E-03 025  1.46991E+00  4.00E-04
  #  (MHGPS) GEOPT  0152 0075 -1.69806337972832E+02 -3.71E-04  1.21E-01  2.43E-01  5.15E-03 025  1.47551E+00  4.00E-04
  #  (MHGPS) GEOPT  0153 0076 -1.69806982454345E+02 -6.44E-04  1.33E-01  3.13E-01  4.38E-03 024  1.48591E+00  4.00E-04
  #  (MHGPS) GEOPT  0154 0077 -1.69808292783357E+02 -1.31E-03  8.39E-02  1.69E-01  3.72E-03 024  1.50735E+00  4.00E-04
  #  (MHGPS) GEOPT  0155 0078 -1.69809069707705E+02 -7.77E-04  9.94E-02  1.83E-01  4.09E-03 023  1.52208E+00  4.00E-04
  #  (MHGPS) GEOPT  0156 0079 -1.69809334038883E+02 -2.64E-04  7.25E-02  1.91E-01  4.50E-03 023  1.52523E+00  4.00E-04
  #  (MHGPS) GEOPT  0157 0080 -1.69809617737716E+02 -2.84E-04  1.07E-01  2.34E-01  4.95E-03 022  1.52947E+00  4.00E-04
  #  (MHGPS) GEOPT  0158 0081 -1.69810272237472E+02 -6.54E-04  8.10E-02  2.24E-01  4.21E-03 022  1.54086E+00  4.00E-04
  #  (MHGPS) GEOPT  0159 0082 -1.69810529859245E+02 -2.58E-04  6.73E-02  1.68E-01  3.58E-03 022  1.54411E+00  4.00E-04
  #  (MHGPS) GEOPT  0160 0083 -1.69810869874483E+02 -3.40E-04  5.59E-02  1.33E-01  3.93E-03 022  1.54841E+00  4.00E-04
  #  (MHGPS) GEOPT  0161 0084 -1.69811453818236E+02 -5.84E-04  6.78E-02  1.39E-01  4.33E-03 021  1.55844E+00  4.00E-04
  #  (MHGPS) GEOPT  0162 0085 -1.69811788349367E+02 -3.35E-04  6.01E-02  1.24E-01  4.76E-03 021  1.56301E+00  4.00E-04
  #  (MHGPS) GEOPT  0163 0086 -1.69812407962399E+02 -6.20E-04  6.44E-02  1.38E-01  5.24E-03 020  1.57294E+00  4.00E-04
  #  (MHGPS) GEOPT  0164 0087 -1.69812991458873E+02 -5.83E-04  6.69E-02  1.45E-01  5.76E-03 019  1.58186E+00  4.00E-04
  #  (MHGPS) GEOPT  0165 0088 -1.69813561128308E+02 -5.70E-04  4.97E-02  1.40E-01  6.34E-03 019  1.58819E+00  4.00E-04
  #  (MHGPS) GEOPT  0166 0089 -1.69814156789000E+02 -5.96E-04  6.29E-02  1.66E-01  6.97E-03 018  1.59519E+00  4.00E-04
  #  (MHGPS) GEOPT  0167 0090 -1.69814873739567E+02 -7.17E-04  1.18E-01  2.53E-01  7.67E-03 019  1.60344E+00  4.00E-04
  #  (MHGPS) GEOPT  0168 0091 -1.69815361840748E+02 -4.88E-04  1.54E-01  3.44E-01  8.43E-03 019  1.60906E+00  4.00E-04
  #  (MHGPS) GEOPT  0169 0092 -1.69816319659900E+02 -9.58E-04  1.21E-01  3.35E-01  7.17E-03 019  1.61832E+00  4.00E-04
  #  (MHGPS) GEOPT  0170 0093 -1.69817447276520E+02 -1.13E-03  2.33E-01  4.98E-01  7.89E-03 020  1.62888E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.57124687965860E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0171 0000 -3.99401977873180E+00  0.00E+00  2.43E+01  4.21E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0172 0001 -5.23898706753071E+00 -1.24E+00  1.34E+01  2.37E+01  1.00E-03 000  2.00E-04  9.99E-01  4.21018E-02  4.20738E-02
  #  (MHGPS) CUOPT  0173 0002 -5.84049461185575E+00 -6.02E-01  9.48E+00  1.84E+01  1.10E-03 001  2.00E-04  9.98E-01  7.22899E-02  7.22480E-02
  #  (MHGPS) CUOPT  0174 0003 -6.57702697237908E+00 -7.37E-01  7.35E+00  1.57E+01  1.21E-03 002  2.00E-04  9.93E-01  1.30388E-01  1.30253E-01
  #  (MHGPS) CUOPT  0175 0004 -7.21595059611270E+00 -6.39E-01  5.85E+00  1.36E+01  1.33E-03 003  2.00E-04  9.84E-01  1.97755E-01  1.97658E-01
  #  (MHGPS) CUOPT  0176 0005 -7.49778782134221E+00 -2.82E-01  5.96E+00  1.09E+01  1.46E-03 003  2.00E-04  9.79E-01  2.32712E-01  2.32537E-01
  #  (MHGPS) CUOPT  0177 0006 -7.75227389046743E+00 -2.54E-01  4.63E+00  9.51E+00  1.61E-03 004  2.00E-04  9.71E-01  2.74277E-01  2.74005E-01
  #  (MHGPS) CUOPT  0178 0007 -7.96642099638237E+00 -2.14E-01  4.01E+00  7.20E+00  1.77E-03 005  2.00E-04  9.63E-01  3.17011E-01  3.16655E-01
  #  (MHGPS) CUOPT  0179 0008 -8.13069677476405E+00 -1.64E-01  2.58E+00  5.27E+00  1.95E-03 005  2.00E-04  9.54E-01  3.60579E-01  3.60169E-01
  #  (MHGPS) CUOPT  0180 0009 -8.22285294266477E+00 -9.22E-02  1.90E+00  4.09E+00  2.14E-03 005  2.00E-04  9.46E-01  3.94276E-01  3.93799E-01
   (MHGPS) minmode overlap               :  0.9456805568221907
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0181 0094 -1.69819421476293E+02 -1.97E-03  2.27E-01  5.91E-01  6.70E-03 019  1.64478E+00  4.00E-04
  #  (MHGPS) GEOPT  0182 0095 -1.69821067350746E+02 -1.65E-03  1.36E-01  3.51E-01  5.70E-03 020  1.65322E+00  4.00E-04
  #  (MHGPS) GEOPT  0183 0096 -1.69822304877623E+02 -1.24E-03  1.87E-01  4.24E-01  6.27E-03 020  1.66018E+00  4.00E-04
  #  (MHGPS) GEOPT  0184 0097 -1.69823675060457E+02 -1.37E-03  2.30E-01  5.03E-01  6.89E-03 020  1.66724E+00  4.00E-04
  #  (MHGPS) GEOPT  0185 0098 -1.69824861217844E+02 -1.19E-03  4.26E-01  9.05E-01  7.58E-03 020  1.67481E+00  4.00E-04
  #  (MHGPS) GEOPT  0186 0099 -1.69826522941193E+02 -1.66E-03  4.52E-01  8.87E-01  6.45E-03 021  1.68253E+00  4.00E-04
  #  (MHGPS) GEOPT  0187 0100 -1.69829183211793E+02 -2.66E-03  2.81E-01  7.23E-01  5.48E-03 021  1.69234E+00  4.00E-04
  #  (MHGPS) GEOPT  0188 0101 -1.69832116320206E+02 -2.93E-03  3.43E-01  6.99E-01  4.66E-03 021  1.70206E+00  4.00E-04
  #  (MHGPS) GEOPT  0189 0102 -1.69835938332156E+02 -3.82E-03  4.01E-01  8.18E-01  5.12E-03 021  1.71408E+00  4.00E-04
  #  (MHGPS) GEOPT  0190 0103 -1.69840630739419E+02 -4.69E-03  3.46E-01  8.26E-01  5.63E-03 022  1.72745E+00  4.00E-04
  #  (MHGPS) GEOPT  0191 0104 -1.69845079667712E+02 -4.45E-03  3.90E-01  8.83E-01  6.20E-03 022  1.73955E+00  4.00E-04
  #  (MHGPS) GEOPT  0192 0105 -1.69849458811605E+02 -4.38E-03  5.46E-01  1.18E+00  6.82E-03 022  1.75305E+00  4.00E-04
  #  (MHGPS) GEOPT  0193 0106 -1.69856396200329E+02 -6.94E-03  5.38E-01  1.09E+00  5.80E-03 022  1.76716E+00  4.00E-04
  #  (MHGPS) GEOPT  0194 0107 -1.69864981390198E+02 -8.59E-03  6.09E-01  1.06E+00  6.37E-03 023  1.78288E+00  4.00E-04
  #  (MHGPS) GEOPT  0195 0108 -1.69875314545292E+02 -1.03E-02  5.86E-01  1.08E+00  7.01E-03 023  1.79993E+00  4.00E-04
  #  (MHGPS) GEOPT  0196 0109 -1.69886979171304E+02 -1.17E-02  8.57E-01  1.49E+00  7.71E-03 023  1.82042E+00  4.00E-04
  #  (MHGPS) GEOPT  0197 0110 -1.69903715297218E+02 -1.67E-02  6.13E-01  1.55E+00  8.48E-03 023  1.84412E+00  4.00E-04
  #  (MHGPS) GEOPT  0198 0111 -1.69916561715676E+02 -1.28E-02  1.01E+00  2.85E+00  9.33E-03 023  1.86993E+00  4.00E-04
  #  (MHGPS) GEOPT  0199 0112 -1.69939041090285E+02 -2.25E-02  1.17E+00  3.24E+00  7.93E-03 023  1.90504E+00  4.00E-04
  #  (MHGPS) GEOPT  0200 0113 -1.69967429441249E+02 -2.84E-02  1.28E+00  3.49E+00  6.74E-03 024  1.94109E+00  4.00E-04
  #  (MHGPS) GEOPT  0201 0114 -1.69996224235559E+02 -2.88E-02  8.68E-01  2.55E+00  5.73E-03 024  1.96669E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.58229362129110E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0202 0000  1.42902763744173E-01  0.00E+00  3.70E+01  5.66E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0203 0001 -2.03641228155501E+00 -2.18E+00  1.51E+01  3.00E+01  1.00E-03 000  2.00E-04  9.98E-01  5.65995E-02  5.65316E-02
  #  (MHGPS) CUOPT  0204 0002 -2.95899947119045E+00 -9.23E-01  1.29E+01  2.28E+01  1.10E-03 001  2.00E-04  9.96E-01  9.30869E-02  9.29956E-02
  #  (MHGPS) CUOPT  0205 0003 -3.97803090319572E+00 -1.02E+00  9.49E+00  1.88E+01  1.21E-03 002  2.00E-04  9.90E-01  1.55456E-01  1.55237E-01
  #  (MHGPS) CUOPT  0206 0004 -4.75931875094523E+00 -7.81E-01  7.26E+00  1.63E+01  1.33E-03 003  2.00E-04  9.81E-01  2.18847E-01  2.18608E-01
  #  (MHGPS) CUOPT  0207 0005 -5.31884615569431E+00 -5.60E-01  6.15E+00  1.49E+01  1.46E-03 004  2.00E-04  9.69E-01  2.86741E-01  2.85548E-01
  #  (MHGPS) CUOPT  0208 0006 -5.56303299042695E+00 -2.44E-01  6.05E+00  1.29E+01  1.61E-03 004  2.00E-04  9.62E-01  3.22158E-01  3.20866E-01
  #  (MHGPS) CUOPT  0209 0007 -5.79819100037720E+00 -2.35E-01  3.26E+00  7.32E+00  1.37E-03 005  2.00E-04  9.53E-01  3.62629E-01  3.61239E-01
  #  (MHGPS) CUOPT  0210 0008 -5.97158124217877E+00 -1.73E-01  2.34E+00  6.43E+00  1.51E-03 005  2.00E-04  9.44E-01  4.05527E-01  4.04109E-01
  #  (MHGPS) CUOPT  0211 0009 -6.06726032399078E+00 -9.57E-02  1.33E+00  4.57E+00  1.66E-03 005  2.00E-04  9.36E-01  4.38934E-01  4.37431E-01
   (MHGPS) minmode overlap               :  0.9363980217006096
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0212 0115 -1.70028695504261E+02 -3.25E-02  7.26E-01  2.00E+00  4.87E-03 024  1.99679E+00  4.00E-04
  #  (MHGPS) GEOPT  0213 0116 -1.70066959976077E+02 -3.83E-02  9.82E-01  2.42E+00  5.36E-03 024  2.03404E+00  4.00E-04
  #  (MHGPS) GEOPT  0214 0117 -1.70100733638792E+02 -3.38E-02  7.59E-01  2.27E+00  5.90E-03 025  2.06120E+00  4.00E-04
  #  (MHGPS) GEOPT  0215 0118 -1.70138194763485E+02 -3.75E-02  7.93E-01  2.11E+00  6.48E-03 025  2.08897E+00  4.00E-04
  #  (MHGPS) GEOPT  0216 0119 -1.70187984879012E+02 -4.98E-02  1.02E+00  2.77E+00  7.13E-03 025  2.12742E+00  4.00E-04
  #  (MHGPS) GEOPT  0217 0120 -1.70276705818106E+02 -8.87E-02  1.35E+00  3.66E+00  7.85E-03 025  2.19532E+00  4.00E-04
  #  (MHGPS) GEOPT  0218 0121 -1.70315388738567E+02 -3.87E-02  3.10E+00  6.36E+00  8.63E-03 025  2.23783E+00  4.00E-04
  #  (MHGPS) GEOPT  0219 0122 -1.70386663422059E+02 -7.13E-02  2.84E+00  5.53E+00  7.34E-03 025  2.28266E+00  4.00E-04
  #  (MHGPS) GEOPT  0220 0123 -1.70437761523910E+02 -5.11E-02  3.23E+00  7.59E+00  6.24E-03 025  2.33001E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.76581411345696E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0221 0000  1.31932732517528E+01  0.00E+00  3.11E+01  5.73E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0222 0001  1.08776340098648E+01 -2.32E+00  1.37E+01  3.08E+01  1.00E-03 000  2.00E-04  9.98E-01  5.72725E-02  5.72022E-02
  #  (MHGPS) CUOPT  0223 0002  9.85004210978789E+00 -1.03E+00  9.71E+00  2.37E+01  1.10E-03 001  2.00E-04  9.96E-01  9.81982E-02  9.80914E-02
  #  (MHGPS) CUOPT  0224 0003  8.65895161849750E+00 -1.19E+00  9.27E+00  2.10E+01  1.21E-03 002  2.00E-04  9.88E-01  1.69538E-01  1.69298E-01
  #  (MHGPS) CUOPT  0225 0004  7.45189641863352E+00 -1.21E+00  7.95E+00  2.10E+01  1.33E-03 003  2.00E-04  9.75E-01  2.54293E-01  2.54073E-01
  #  (MHGPS) CUOPT  0226 0005  6.66219092684957E+00 -7.90E-01  6.67E+00  1.71E+01  1.46E-03 003  2.00E-04  9.63E-01  3.12286E-01  3.11798E-01
  #  (MHGPS) CUOPT  0227 0006  5.65247265011394E+00 -1.01E+00  5.85E+00  1.52E+01  1.61E-03 004  2.00E-04  9.39E-01  4.04008E-01  4.02802E-01
  #  (MHGPS) CUOPT  0228 0007  4.66023380382718E+00 -9.92E-01  5.84E+00  1.48E+01  1.77E-03 005  2.00E-04  9.04E-01  5.10656E-01  5.08572E-01
  #  (MHGPS) CUOPT  0229 0008  3.66938746457992E+00 -9.91E-01  6.29E+00  1.48E+01  1.95E-03 005  2.00E-04  8.59E-01  6.24971E-01  6.22354E-01
  #  (MHGPS) CUOPT  0230 0009  2.77689101735148E+00 -8.92E-01  6.19E+00  1.45E+01  2.14E-03 005  2.00E-04  8.11E-01  7.38100E-01  7.34525E-01
  #  (MHGPS) CUOPT  0231 0010  2.20691427076809E+00 -5.70E-01  7.59E+00  1.63E+01  2.36E-03 005  2.00E-04  7.74E-01  8.17201E-01  8.12634E-01
  #  (MHGPS) CUOPT  0232 0011  1.54579739154266E+00 -6.61E-01  6.52E+00  1.56E+01  2.59E-03 005  2.00E-04  7.26E-01  9.14122E-01  9.08418E-01
  #  (MHGPS) CUOPT  0233 0012  9.77694192713650E-01 -5.68E-01  8.82E+00  1.74E+01  2.85E-03 005  2.00E-04  6.74E-01  1.01743E+00  1.01065E+00
  #  (MHGPS) CUOPT  0234 0013  6.80187780122535E-01 -2.98E-01  1.26E+01  2.19E+01  2.43E-03 005  2.00E-04  6.34E-01  1.09451E+00  1.08678E+00
  #  (MHGPS) CUOPT  0235 0014  3.06619556427483E-01 -3.74E-01  8.02E+00  1.55E+01  2.06E-03 005  2.00E-04  6.05E-01  1.15983E+00  1.15203E+00
  #  (MHGPS) CUOPT  0236 0015 -5.55652312434196E-02 -3.62E-01  2.83E+00  7.60E+00  1.75E-03 005  2.00E-04  5.81E-01  1.22742E+00  1.21965E+00
  #  (MHGPS) CUOPT  0237 0016 -2.91745751783408E-01 -2.36E-01  2.39E+00  6.92E+00  1.93E-03 005  2.00E-04  5.61E-01  1.28930E+00  1.28148E+00
  #  (MHGPS) CUOPT  0238 0017 -4.66334509980422E-01 -1.75E-01  2.61E+00  7.10E+00  2.12E-03 005  2.00E-04  5.52E-01  1.33919E+00  1.33139E+00
  #  (MHGPS) CUOPT  0239 0018 -5.93335471996435E-01 -1.27E-01  3.56E+00  8.75E+00  2.33E-03 005  2.00E-04  5.45E-01  1.37856E+00  1.37071E+00
  #  (MHGPS) CUOPT  0240 0019 -6.84773677950244E-01 -9.14E-02  6.74E+00  1.46E+01  2.57E-03 005  2.00E-04  5.40E-01  1.41867E+00  1.41082E+00
  #  (MHGPS) CUOPT  0241 0020 -8.23955153613821E-01 -1.39E-01  5.78E+00  1.17E+01  2.18E-03 005  2.00E-04  5.35E-01  1.45431E+00  1.44641E+00
  #  (MHGPS) CUOPT  0242 0021 -9.86067703144413E-01 -1.62E-01  3.28E+00  7.27E+00  1.85E-03 005  2.00E-04  5.28E-01  1.49194E+00  1.48399E+00
  #  (MHGPS) CUOPT  0243 0022 -1.13984374172914E+00 -1.54E-01  2.18E+00  6.06E+00  2.04E-03 005  2.00E-04  5.17E-01  1.53819E+00  1.53017E+00
  #  (MHGPS) CUOPT  0244 0023 -1.28415790577709E+00 -1.44E-01  1.74E+00  5.72E+00  2.24E-03 005  2.00E-04  5.04E-01  1.58826E+00  1.58008E+00
  #  (MHGPS) CUOPT  0245 0024 -1.43345878194889E+00 -1.49E-01  2.08E+00  6.44E+00  2.47E-03 005  2.00E-04  4.86E-01  1.64106E+00  1.63284E+00
  #  (MHGPS) CUOPT  0246 0025 -1.58172992140565E+00 -1.48E-01  2.70E+00  6.65E+00  2.71E-03 005  2.00E-04  4.66E-01  1.69604E+00  1.68772E+00
  #  (MHGPS) CUOPT  0247 0026 -1.66189599104865E+00 -8.02E-02  7.07E+00  1.22E+01  2.99E-03 005  2.00E-04  4.48E-01  1.74263E+00  1.73416E+00
  #  (MHGPS) CUOPT  0248 0027 -1.73232351511230E+00 -7.04E-02  6.62E+00  1.31E+01  2.54E-03 005  2.00E-04  4.32E-01  1.78448E+00  1.77590E+00
  #  (MHGPS) CUOPT  0249 0028 -1.82198016756187E+00 -8.97E-02  5.14E+00  1.01E+01  2.16E-03 005  2.00E-04  4.18E-01  1.81945E+00  1.81082E+00
  #  (MHGPS) CUOPT  0250 0029 -1.91089772076902E+00 -8.89E-02  2.77E+00  5.85E+00  1.83E-03 005  2.00E-04  4.00E-01  1.86022E+00  1.85153E+00
  #  (MHGPS) CUOPT  0251 0030 -1.96331394261045E+00 -5.24E-02  1.16E+00  2.65E+00  1.56E-03 005  2.00E-04  3.83E-01  1.89722E+00  1.88845E+00
   (MHGPS) minmode overlap               :  0.3831526925869302
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0252 0124 -1.70431483041863E+02  6.28E-03  2.54E+00  6.26E+00  5.30E-03 025  2.38280E+00  4.00E-04
  #  (MHGPS) GEOPT  0253 0125 -1.70376539514559E+02  5.49E-02  3.76E+00  7.91E+00  4.51E-03 025  2.44488E+00  4.00E-04
  #  (MHGPS) GEOPT  0254 0126 -1.70367275512659E+02  9.26E-03  2.65E+00  5.80E+00  3.83E-03 025  2.50335E+00  4.00E-04
  #  (MHGPS) GEOPT  0255 0127 -1.70364446855923E+02  2.83E-03  1.67E+00  4.09E+00  3.26E-03 025  2.54066E+00  4.00E-04
  #  (MHGPS) GEOPT  0256 0128 -1.70362936358922E+02  1.51E-03  9.57E-01  2.62E+00  2.77E-03 025  2.56891E+00  4.00E-04
  #  (MHGPS) GEOPT  0257 0129 -1.70352847983453E+02  1.01E-02  6.66E-01  1.89E+00  2.35E-03 025  2.59979E+00  4.00E-04
  #  (MHGPS) GEOPT  0258 0130 -1.70351253811086E+02  1.59E-03  8.03E-01  1.93E+00  2.59E-03 025  2.62930E+00  4.00E-04
  #  (MHGPS) GEOPT  0259 0131 -1.70377779038964E+02 -2.65E-02  6.75E-01  1.96E+00  2.85E-03 024  2.66011E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.78774740330074E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0260 0000  1.36656548629594E+00  0.00E+00  1.63E+01  4.21E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0261 0001 -2.93149251946230E-02 -1.40E+00  1.15E+01  2.78E+01  1.00E-03 000  2.00E-04  9.99E-01  4.20929E-02  4.20650E-02
  #  (MHGPS) CUOPT  0262 0002 -1.04394613514474E+00 -1.01E+00  1.08E+01  2.22E+01  1.10E-03 001  2.00E-04  9.96E-01  9.04685E-02  9.03769E-02
  #  (MHGPS) CUOPT  0263 0003 -2.15815677471016E+00 -1.11E+00  8.72E+00  1.97E+01  1.21E-03 002  2.00E-04  9.88E-01  1.63674E-01  1.63519E-01
  #  (MHGPS) CUOPT  0264 0004 -3.02990954110150E+00 -8.72E-01  6.93E+00  1.52E+01  1.33E-03 003  2.00E-04  9.77E-01  2.34899E-01  2.34273E-01
  #  (MHGPS) CUOPT  0265 0005 -3.52539575977692E+00 -4.95E-01  6.46E+00  1.21E+01  1.46E-03 003  2.00E-04  9.66E-01  2.87974E-01  2.87095E-01
  #  (MHGPS) CUOPT  0266 0006 -3.98811577265188E+00 -4.63E-01  6.04E+00  1.07E+01  1.61E-03 004  2.00E-04  9.51E-01  3.53215E-01  3.52145E-01
  #  (MHGPS) CUOPT  0267 0007 -4.37480463717474E+00 -3.87E-01  4.66E+00  9.96E+00  1.77E-03 005  2.00E-04  9.35E-01  4.16040E-01  4.14893E-01
  #  (MHGPS) CUOPT  0268 0008 -4.59678965764805E+00 -2.22E-01  3.72E+00  8.24E+00  1.95E-03 004  2.00E-04  9.25E-01  4.56357E-01  4.55101E-01
  #  (MHGPS) CUOPT  0269 0009 -4.80307616961048E+00 -2.06E-01  2.50E+00  7.25E+00  2.14E-03 005  2.00E-04  9.12E-01  5.03914E-01  5.02567E-01
  #  (MHGPS) CUOPT  0270 0010 -4.95631794848895E+00 -1.53E-01  2.52E+00  7.06E+00  2.36E-03 005  2.00E-04  9.00E-01  5.43406E-01  5.41956E-01
  #  (MHGPS) CUOPT  0271 0011 -5.09440599524245E+00 -1.38E-01  3.18E+00  7.62E+00  2.59E-03 005  2.00E-04  8.89E-01  5.85645E-01  5.84117E-01
  #  (MHGPS) CUOPT  0272 0012 -5.19527158195973E+00 -1.01E-01  6.11E+00  1.00E+01  2.85E-03 005  2.00E-04  8.79E-01  6.22587E-01  6.21007E-01
  #  (MHGPS) CUOPT  0273 0013 -5.28384910532318E+00 -8.86E-02  5.81E+00  1.09E+01  2.43E-03 005  2.00E-04  8.72E-01  6.56198E-01  6.54595E-01
  #  (MHGPS) CUOPT  0274 0014 -5.42138828234774E+00 -1.38E-01  2.78E+00  6.50E+00  2.06E-03 005  2.00E-04  8.64E-01  6.95518E-01  6.93889E-01
  #  (MHGPS) CUOPT  0275 0015 -5.53557229328627E+00 -1.14E-01  1.60E+00  4.65E+00  1.75E-03 005  2.00E-04  8.54E-01  7.37775E-01  7.36073E-01
   (MHGPS) minmode overlap               :  0.8536331686118158
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0276 0132 -1.70401371206862E+02 -2.36E-02  8.54E-01  2.26E+00  3.13E-03 024  2.68482E+00  4.00E-04
  #  (MHGPS) GEOPT  0277 0133 -1.70412704852580E+02 -1.13E-02  8.52E-01  1.87E+00  3.44E-03 024  2.69755E+00  4.00E-04
  #  (MHGPS) GEOPT  0278 0134 -1.70427995334456E+02 -1.53E-02  9.21E-01  2.04E+00  3.79E-03 024  2.71534E+00  4.00E-04
  #  (MHGPS) GEOPT  0279 0135 -1.70447202216118E+02 -1.92E-02  8.29E-01  1.98E+00  4.17E-03 024  2.73251E+00  4.00E-04
  #  (MHGPS) GEOPT  0280 0136 -1.70467331962691E+02 -2.01E-02  1.30E+00  2.66E+00  4.58E-03 024  2.75329E+00  4.00E-04
  #  (MHGPS) GEOPT  0281 0137 -1.70498875601958E+02 -3.15E-02  7.54E-01  2.03E+00  5.04E-03 025  2.77920E+00  4.00E-04
  #  (MHGPS) GEOPT  0282 0138 -1.70544109738738E+02 -4.52E-02  7.26E-01  1.80E+00  5.55E-03 025  2.81802E+00  4.00E-04
  #  (MHGPS) GEOPT  0283 0139 -1.70582547924846E+02 -3.84E-02  7.35E-01  1.82E+00  6.10E-03 025  2.84812E+00  4.00E-04
  #  (MHGPS) GEOPT  0284 0140 -1.70639406684786E+02 -5.69E-02  8.34E-01  2.09E+00  6.71E-03 025  2.89509E+00  4.00E-04
  #  (MHGPS) GEOPT  0285 0141 -1.70703589193187E+02 -6.42E-02  7.58E-01  2.04E+00  7.38E-03 025  2.94449E+00  4.00E-04
  #  (MHGPS) GEOPT  0286 0142 -1.70759566674528E+02 -5.60E-02  1.12E+00  2.78E+00  8.12E-03 025  2.98686E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.90295928671726E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0287 0000 -1.63533835424874E+00  0.00E+00  2.68E+01  5.02E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0288 0001 -3.40209439818057E+00 -1.77E+00  1.13E+01  2.57E+01  1.00E-03 000  2.00E-04  9.99E-01  5.02127E-02  5.01653E-02
  #  (MHGPS) CUOPT  0289 0002 -4.09123033377467E+00 -6.89E-01  8.87E+00  1.85E+01  1.10E-03 001  2.00E-04  9.97E-01  8.47429E-02  8.46731E-02
  #  (MHGPS) CUOPT  0290 0003 -4.68876871257803E+00 -5.98E-01  8.46E+00  1.56E+01  1.21E-03 002  2.00E-04  9.93E-01  1.27180E-01  1.27083E-01
  #  (MHGPS) CUOPT  0291 0004 -5.30796294756821E+00 -6.19E-01  5.37E+00  1.29E+01  1.33E-03 003  2.00E-04  9.86E-01  1.92081E-01  1.91857E-01
  #  (MHGPS) CUOPT  0292 0005 -5.56566515207150E+00 -2.58E-01  4.54E+00  1.05E+01  1.46E-03 003  2.00E-04  9.81E-01  2.23683E-01  2.23400E-01
  #  (MHGPS) CUOPT  0293 0006 -5.82011077061302E+00 -2.54E-01  3.02E+00  7.98E+00  1.61E-03 004  2.00E-04  9.75E-01  2.63009E-01  2.62657E-01
  #  (MHGPS) CUOPT  0294 0007 -6.02586420806159E+00 -2.06E-01  2.09E+00  6.04E+00  1.77E-03 005  2.00E-04  9.67E-01  3.07355E-01  3.06935E-01
  #  (MHGPS) CUOPT  0295 0008 -6.12556726264776E+00 -9.97E-02  1.86E+00  5.08E+00  1.95E-03 005  2.00E-04  9.60E-01  3.38444E-01  3.37969E-01
  #  (MHGPS) CUOPT  0296 0009 -6.18906054289976E+00 -6.35E-02  1.64E+00  4.23E+00  2.14E-03 005  2.00E-04  9.55E-01  3.64098E-01  3.63597E-01
   (MHGPS) minmode overlap               :  0.9552394241462654
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0297 0143 -1.70813963885352E+02 -5.44E-02  2.43E+00  4.57E+00  8.93E-03 025  3.04221E+00  4.00E-04
  #  (MHGPS) GEOPT  0298 0144 -1.70880190380746E+02 -6.62E-02  1.66E+00  4.59E+00  7.59E-03 025  3.10183E+00  4.00E-04
  #  (MHGPS) GEOPT  0299 0145 -1.70916229849412E+02 -3.60E-02  3.04E+00  5.74E+00  6.45E-03 025  3.14681E+00  4.00E-04
  #  (MHGPS) GEOPT  0300 0146 -1.70948931899771E+02 -3.27E-02  2.22E+00  4.45E+00  5.48E-03 025  3.17564E+00  4.00E-04
  #  (MHGPS) GEOPT  0301 0147 -1.70967627562309E+02 -1.87E-02  1.83E+00  3.94E+00  4.66E-03 025  3.20278E+00  4.00E-04
  #  (MHGPS) GEOPT  0302 0148 -1.70981894656752E+02 -1.43E-02  1.39E+00  2.68E+00  3.96E-03 025  3.21986E+00  4.00E-04
  #  (MHGPS) GEOPT  0303 0149 -1.70990684298338E+02 -8.79E-03  4.25E-01  1.17E+00  3.37E-03 025  3.23133E+00  4.00E-04
  #  (MHGPS) GEOPT  0304 0150 -1.70993860871189E+02 -3.18E-03  2.75E-01  7.47E-01  2.86E-03 025  3.24007E+00  4.00E-04
  #  (MHGPS) GEOPT  0305 0151 -1.70995240227084E+02 -1.38E-03  1.77E-01  4.72E-01  2.43E-03 025  3.24465E+00  4.00E-04
  #  (MHGPS) GEOPT  0306 0152 -1.70996277564753E+02 -1.04E-03  1.64E-01  3.75E-01  2.68E-03 025  3.24958E+00  4.00E-04
  #  (MHGPS) GEOPT  0307 0153 -1.70996888971356E+02 -6.11E-04  1.31E-01  2.81E-01  2.94E-03 025  3.25229E+00  4.00E-04
  #  (MHGPS) GEOPT  0308 0154 -1.70997503744627E+02 -6.15E-04  1.10E-01  2.42E-01  3.24E-03 025  3.25552E+00  4.00E-04
  #  (MHGPS) GEOPT  0309 0155 -1.70997929836764E+02 -4.26E-04  7.35E-02  2.01E-01  3.56E-03 025  3.25836E+00  4.00E-04
  #  (MHGPS) GEOPT  0310 0156 -1.70998192970382E+02 -2.63E-04  8.61E-02  1.91E-01  3.92E-03 025  3.26055E+00  4.00E-04
  #  (MHGPS) GEOPT  0311 0157 -1.70998421820934E+02 -2.29E-04  7.32E-02  1.60E-01  4.31E-03 025  3.26232E+00  4.00E-04
  #  (MHGPS) GEOPT  0312 0158 -1.70998688867013E+02 -2.67E-04  6.30E-02  1.60E-01  4.74E-03 025  3.26490E+00  4.00E-04
  #  (MHGPS) GEOPT  0313 0159 -1.70998841013939E+02 -1.52E-04  5.92E-02  1.66E-01  5.22E-03 025  3.26649E+00  4.00E-04
  #  (MHGPS) GEOPT  0314 0160 -1.70998985525579E+02 -1.45E-04  8.24E-02  1.85E-01  5.74E-03 025  3.26840E+00  4.00E-04
  #  (MHGPS) GEOPT  0315 0161 -1.70999130549675E+02 -1.45E-04  9.33E-02  2.12E-01  6.31E-03 025  3.27063E+00  4.00E-04
  #  (MHGPS) GEOPT  0316 0162 -1.70999249913434E+02 -1.19E-04  6.53E-02  1.40E-01  5.37E-03 025  3.27232E+00  4.00E-04
  #  (MHGPS) GEOPT  0317 0163 -1.70999321926512E+02 -7.20E-05  4.43E-02  1.18E-01  4.56E-03 025  3.27367E+00  4.00E-04
  #  (MHGPS) GEOPT  0318 0164 -1.70999387787233E+02 -6.59E-05  5.10E-02  1.12E-01  5.02E-03 025  3.27544E+00  4.00E-04
  #  (MHGPS) GEOPT  0319 0165 -1.70999449870744E+02 -6.21E-05  6.39E-02  1.27E-01  4.26E-03 025  3.27768E+00  4.00E-04
  #  (MHGPS) GEOPT  0320 0166 -1.70999477156245E+02 -2.73E-05  5.60E-02  1.23E-01  3.62E-03 025  3.27941E+00  4.00E-04
  #  (MHGPS) GEOPT  0321 0167 -1.70999485432757E+02 -8.28E-06  2.91E-02  7.03E-02  3.08E-03 025  3.28030E+00  4.00E-04
  #  (MHGPS) GEOPT  0322 0168 -1.70999480072980E+02  5.36E-06  2.29E-02  5.83E-02  2.62E-03 025  3.28087E+00  4.00E-04
  #  (MHGPS) GEOPT  0323 0169 -1.70999467400689E+02  1.27E-05  1.87E-02  5.81E-02  2.23E-03 025  3.28179E+00  4.00E-04
  #  (MHGPS) GEOPT  0324 0170 -1.70999459603468E+02  7.80E-06  1.84E-02  5.15E-02  1.89E-03 025  3.28261E+00  4.00E-04
  #  (MHGPS) GEOPT  0325 0171 -1.70999450922916E+02  8.68E-06  1.69E-02  4.65E-02  1.61E-03 024  3.28327E+00  4.00E-04
  #  (MHGPS) GEOPT  0326 0172 -1.70999442311162E+02  8.61E-06  2.09E-02  5.44E-02  1.37E-03 024  3.28413E+00  4.00E-04
  #  (MHGPS) GEOPT  0327 0173 -1.70999441569469E+02  7.42E-07  2.24E-02  4.78E-02  1.16E-03 024  3.28495E+00  4.00E-04
  #  (MHGPS) GEOPT  0328 0174 -1.70999443139369E+02 -1.57E-06  1.83E-02  4.10E-02  1.28E-03 023  3.28537E+00  4.00E-04
  #  (MHGPS) GEOPT  0329 0175 -1.70999448315250E+02 -5.18E-06  1.12E-02  2.73E-02  1.41E-03 023  3.28563E+00  4.00E-04
  #  (MHGPS) GEOPT  0330 0176 -1.70999449596412E+02 -1.28E-06  6.83E-03  2.05E-02  1.55E-03 022  3.28572E+00  4.00E-04
  #  (MHGPS) GEOPT  0331 0177 -1.70999450797361E+02 -1.20E-06  5.05E-03  1.81E-02  1.70E-03 022  3.28584E+00  4.00E-04
  #  (MHGPS) GEOPT  0332 0178 -1.70999451854444E+02 -1.06E-06  4.13E-03  1.27E-02  1.87E-03 023  3.28598E+00  4.00E-04
  #  (MHGPS) GEOPT  0333 0179 -1.70999452188042E+02 -3.34E-07  2.59E-03  8.70E-03  2.06E-03 022  3.28604E+00  4.00E-04
  #  (MHGPS) GEOPT  0334 0180 -1.70999452474205E+02 -2.86E-07  1.77E-03  6.74E-03  2.26E-03 023  3.28611E+00  4.00E-04
  #  (MHGPS) GEOPT  0335 0181 -1.70999452669933E+02 -1.96E-07  1.45E-03  5.18E-03  2.49E-03 023  3.28616E+00  4.00E-04
  #  (MHGPS) GEOPT  0336 0182 -1.70999452740993E+02 -7.11E-08  1.02E-03  3.54E-03  2.74E-03 022  3.28619E+00  4.00E-04
  #  (MHGPS) GEOPT  0337 0183 -1.70999452798478E+02 -5.75E-08  8.97E-04  2.68E-03  3.01E-03 023  3.28622E+00  4.00E-04
  #  (MHGPS) GEOPT  0338 0184 -1.70999452836200E+02 -3.77E-08  6.18E-04  1.99E-03  3.32E-03 023  3.28625E+00  4.00E-04
  #  (MHGPS) GEOPT  0339 0185 -1.70999452854607E+02 -1.84E-08  4.06E-04  1.44E-03  3.65E-03 023  3.28627E+00  4.00E-04
  #  (MHGPS) GEOPT  0340 0186 -1.70999452866338E+02 -1.17E-08  3.46E-04  1.17E-03  4.01E-03 024  3.28628E+00  4.00E-04
  #  (MHGPS) GEOPT  0341 0187 -1.70999452873362E+02 -7.02E-09  2.53E-04  9.18E-04  4.41E-03 024  3.28629E+00  4.00E-04
    #(MHGPS) tightening
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  2.00506553597569E-03
  #  (MHGPS) CUOPT minoverlap -2.00E+00
  #  (MHGPS) CUOPT  0342 0000 -4.11498181681971E+00  0.00E+00  1.94E+01  3.47E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0343 0001 -4.96656014730991E+00 -8.52E-01  8.14E+00  1.74E+01  1.00E-03 000  2.00E-04  9.99E-01  3.47164E-02  3.47008E-02
  #  (MHGPS) CUOPT  0344 0002 -5.27494779001156E+00 -3.08E-01  3.75E+00  1.10E+01  1.10E-03 001  2.00E-04  9.98E-01  5.91889E-02  5.91649E-02
  #  (MHGPS) CUOPT  0345 0003 -5.45390175278912E+00 -1.79E-01  3.10E+00  8.44E+00  1.21E-03 002  2.00E-04  9.97E-01  8.16319E-02  8.16038E-02
  #  (MHGPS) CUOPT  0346 0004 -5.60117158492091E+00 -1.47E-01  2.15E+00  6.51E+00  1.33E-03 003  2.00E-04  9.95E-01  1.08634E-01  1.08594E-01
  #  (MHGPS) CUOPT  0347 0005 -5.67741151318073E+00 -7.62E-02  2.25E+00  5.40E+00  1.46E-03 004  2.00E-04  9.94E-01  1.29467E-01  1.29417E-01
  #  (MHGPS) CUOPT  0348 0006 -5.72143609139188E+00 -4.40E-02  1.92E+00  5.12E+00  1.61E-03 004  2.00E-04  9.93E-01  1.41972E-01  1.41919E-01
  #  (MHGPS) CUOPT  0349 0007 -5.77957608374753E+00 -5.81E-02  1.15E+00  3.55E+00  1.77E-03 005  2.00E-04  9.92E-01  1.61262E-01  1.61203E-01
   (MHGPS) minmode overlap               :  0.9915235616085866
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0350 0188 -1.70999452878139E+02 -4.78E-09  2.76E-04  7.79E-04  4.85E-03 024  3.28630E+00  4.00E-04
   (MHGPS) convergence at                :  350
  (MHGPS)ediff, fpdist  SS  1.9725385E+00  2.9961649E-02
    #............................................................ (MHGPS) Relax from left side
  #(MHGPS) COUNT  IT  GEOPT_METHOD  ENERGY                 DIFF       FMAX       FNRM      FRAC*FLUC FLUC      ADD. INFO
      0     0  (MHGPS) GEOPT_SQNM  -1.70999464136605E+02   0.00E+00  5.828E-03  1.19E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=0.0E+00 dsplr=0.00000E+00 dsplp=0.00000E+00
      1     1  (MHGPS) GEOPT_SQNM  -1.70999464278794E+02  -1.42E-07  5.870E-03  1.19E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=5.8E-06 dsplr=1.19443E-05 dsplp=1.19443E-05
      2     2  (MHGPS) GEOPT_SQNM  -1.70999465857479E+02  -1.58E-06  7.208E-03  1.63E-02  0.00E+00  0.00E+00   beta=1.10E-03 dim=001 maxd=6.7E-05 dsplr=1.49139E-04 dsplp=1.49139E-04
      3     3  (MHGPS) GEOPT_SQNM  -1.70999467537957E+02  -1.68E-06  7.617E-03  1.74E-02  0.00E+00  0.00E+00   beta=1.21E-03 dim=001 maxd=6.6E-05 dsplr=2.82759E-04 dsplp=2.82759E-04
      4     4  (MHGPS) GEOPT_SQNM  -1.70999475840929E+02  -8.30E-06  1.151E-02  2.28E-02  0.00E+00  0.00E+00   beta=1.33E-03 dim=002 maxd=2.9E-04 dsplr=8.65658E-04 dsplp=8.65658E-04
      5     5  (MHGPS) GEOPT_SQNM  -1.70999488376706E+02  -1.25E-05  1.568E-02  3.01E-02  0.00E+00  0.00E+00   beta=1.46E-03 dim=002 maxd=3.6E-04 dsplr=1.58084E-03 dsplp=1.58084E-03
      6     6  (MHGPS) GEOPT_SQNM  -1.70999527313372E+02  -3.89E-05  2.028E-02  4.21E-02  0.00E+00  0.00E+00   beta=1.61E-03 dim=003 maxd=7.9E-04 dsplr=3.15857E-03 dsplp=3.15857E-03
      7     7  (MHGPS) GEOPT_SQNM  -1.70999609926251E+02  -8.26E-05  2.943E-02  5.67E-02  0.00E+00  0.00E+00   beta=1.77E-03 dim=003 maxd=1.2E-03 dsplr=5.48550E-03 dsplp=5.48550E-03
      8     8  (MHGPS) GEOPT_SQNM  -1.70999816765606E+02  -2.07E-04  4.321E-02  8.46E-02  0.00E+00  0.00E+00   beta=1.95E-03 dim=003 maxd=2.0E-03 dsplr=9.37790E-03 dsplp=9.37790E-03
      9     9  (MHGPS) GEOPT_SQNM  -1.71000347798636E+02  -5.31E-04  6.489E-02  1.28E-01  0.00E+00  0.00E+00   beta=2.14E-03 dim=003 maxd=3.2E-03 dsplr=1.58072E-02 dsplp=1.58072E-02
     10    10  (MHGPS) GEOPT_SQNM  -1.71001765107788E+02  -1.42E-03  9.907E-02  2.01E-01  0.00E+00  0.00E+00   beta=2.36E-03 dim=003 maxd=5.4E-03 dsplr=2.65730E-02 dsplp=2.65730E-02
     11    11  (MHGPS) GEOPT_SQNM  -1.71006904219896E+02  -5.14E-03  1.516E-01  3.44E-01  0.00E+00  0.00E+00   beta=2.59E-03 dim=004 maxd=1.1E-02 dsplr=4.90986E-02 dsplp=4.90986E-02
     12    12  (MHGPS) GEOPT_SQNM  -1.71023791140574E+02  -1.69E-02  3.193E-01  6.38E-01  0.00E+00  0.00E+00   beta=2.85E-03 dim=004 maxd=2.1E-02 dsplr=9.09139E-02 dsplp=9.09139E-02
     13    13  (MHGPS) GEOPT_SQNM  -1.71074432292639E+02  -5.06E-02  6.687E-01  1.37E+00  0.00E+00  0.00E+00   beta=3.14E-03 dim=003 maxd=3.8E-02 dsplr=1.66020E-01 dsplp=1.66020E-01
     14    14  (MHGPS) GEOPT_SQNM  -1.71140888109028E+02  -6.65E-02  1.071E+00  2.24E+00  0.00E+00  0.00E+00   beta=3.45E-03 dim=003 maxd=3.8E-02 dsplr=2.40870E-01 dsplp=2.40870E-01
     15    15  (MHGPS) GEOPT_SQNM  -1.71166737950513E+02  -2.58E-02  8.821E-01  1.96E+00  0.00E+00  0.00E+00   beta=3.80E-03 dim=004 maxd=1.0E-02 dsplr=2.60214E-01 dsplp=2.60214E-01
     16    16  (MHGPS) GEOPT_SQNM  -1.71213736300192E+02  -4.70E-02  1.135E+00  2.75E+00  0.00E+00  0.00E+00   beta=4.18E-03 dim=003 maxd=2.4E-02 dsplr=3.09393E-01 dsplp=3.09393E-01
     17    17  (MHGPS) GEOPT_SQNM  -1.71235540842352E+02  -2.18E-02  8.164E-01  2.08E+00  0.00E+00  0.00E+00   beta=4.59E-03 dim=004 maxd=7.7E-03 dsplr=3.24055E-01 dsplp=3.24055E-01
     18    18  (MHGPS) GEOPT_SQNM  -1.71249891135935E+02  -1.44E-02  1.264E+00  2.91E+00  0.00E+00  0.00E+00   beta=5.05E-03 dim=005 maxd=7.0E-03 dsplr=3.39205E-01 dsplp=3.39205E-01
     19    19  (MHGPS) GEOPT_SQNM  -1.71272579426481E+02  -2.27E-02  1.754E+00  3.17E+00  0.00E+00  0.00E+00   beta=4.30E-03 dim=005 maxd=1.1E-02 dsplr=3.59349E-01 dsplp=3.59349E-01
     20    20  (MHGPS) GEOPT_SQNM  -1.71297832140518E+02  -2.53E-02  1.052E+00  2.44E+00  0.00E+00  0.00E+00   beta=3.65E-03 dim=006 maxd=9.4E-03 dsplr=3.78191E-01 dsplp=3.78191E-01
     21    21  (MHGPS) GEOPT_SQNM  -1.71325323273444E+02  -2.75E-02  8.775E-01  1.85E+00  0.00E+00  0.00E+00   beta=4.02E-03 dim=007 maxd=1.2E-02 dsplr=3.99544E-01 dsplp=3.99544E-01
     22    22  (MHGPS) GEOPT_SQNM  -1.71353565004888E+02  -2.82E-02  7.849E-01  1.50E+00  0.00E+00  0.00E+00   beta=4.42E-03 dim=008 maxd=1.3E-02 dsplr=4.21634E-01 dsplp=4.21634E-01
     23    23  (MHGPS) GEOPT_SQNM  -1.71384859704486E+02  -3.13E-02  7.830E-01  1.40E+00  0.00E+00  0.00E+00   beta=4.86E-03 dim=009 maxd=1.4E-02 dsplr=4.46105E-01 dsplp=4.46105E-01
     24    24  (MHGPS) GEOPT_SQNM  -1.71420472317921E+02  -3.56E-02  7.755E-01  1.43E+00  0.00E+00  0.00E+00   beta=5.35E-03 dim=010 maxd=1.8E-02 dsplr=4.74764E-01 dsplp=4.74764E-01
     25    25  (MHGPS) GEOPT_SQNM  -1.71540320326832E+02  -1.20E-01  1.518E+00  3.54E+00  0.00E+00  0.00E+00   beta=5.88E-03 dim=010 maxd=6.8E-02 dsplr=5.95284E-01 dsplp=5.95284E-01
     26    26  (MHGPS) GEOPT_SQNM  -1.71589190460970E+02  -4.89E-02  3.650E+00  5.14E+00  0.00E+00  0.00E+00   beta=5.00E-03 dim=009 maxd=2.8E-02 dsplr=6.38337E-01 dsplp=6.38337E-01
     27    27  (MHGPS) GEOPT_SQNM  -1.71582153768245E+02   7.04E-03  5.622E+00  8.31E+00  0.00E+00  0.00E+00   beta=4.25E-03 dim=010 maxd=1.4E-02 dsplr=6.61733E-01 dsplp=6.38337E-01
     28    27  (MHGPS) GEOPT_SQNM  -1.71610479637153E+02  -2.13E-02  1.579E+00  3.06E+00  0.00E+00  0.00E+00   beta=2.12E-03 dim=000 maxd=7.8E-03 dsplr=6.72650E-01 dsplp=6.49254E-01
     29    28  (MHGPS) GEOPT_SQNM  -1.71620123602344E+02  -9.64E-03  1.034E+00  1.96E+00  0.00E+00  0.00E+00   beta=1.81E-03 dim=001 maxd=2.6E-03 dsplr=6.78067E-01 dsplp=6.54670E-01
     30    29  (MHGPS) GEOPT_SQNM  -1.71631396071927E+02  -1.13E-02  1.074E+00  1.82E+00  0.00E+00  0.00E+00   beta=1.99E-03 dim=002 maxd=3.6E-03 dsplr=6.84746E-01 dsplp=6.61349E-01
     31    30  (MHGPS) GEOPT_SQNM  -1.71668158163627E+02  -3.68E-02  1.160E+00  2.20E+00  0.00E+00  0.00E+00   beta=2.19E-03 dim=003 maxd=1.4E-02 dsplr=7.08844E-01 dsplp=6.85447E-01
     32    31  (MHGPS) GEOPT_SQNM  -1.71719063017818E+02  -5.09E-02  1.405E+00  2.74E+00  0.00E+00  0.00E+00   beta=2.40E-03 dim=004 maxd=2.0E-02 dsplr=7.42017E-01 dsplp=7.18621E-01
     33    32  (MHGPS) GEOPT_SQNM  -1.71776434166954E+02  -5.74E-02  1.499E+00  2.70E+00  0.00E+00  0.00E+00   beta=2.64E-03 dim=004 maxd=2.2E-02 dsplr=7.77086E-01 dsplp=7.53689E-01
     34    33  (MHGPS) GEOPT_SQNM  -1.71872274856277E+02  -9.58E-02  1.612E+00  3.02E+00  0.00E+00  0.00E+00   beta=2.91E-03 dim=005 maxd=3.3E-02 dsplr=8.27810E-01 dsplp=8.04413E-01
     35    34  (MHGPS) GEOPT_SQNM  -1.72030549165472E+02  -1.58E-01  1.636E+00  3.89E+00  0.00E+00  0.00E+00   beta=3.20E-03 dim=006 maxd=5.8E-02 dsplr=9.13806E-01 dsplp=8.90409E-01
     36    35  (MHGPS) GEOPT_SQNM  -1.72101330204560E+02  -7.08E-02  1.796E+00  3.74E+00  0.00E+00  0.00E+00   beta=3.52E-03 dim=006 maxd=2.0E-02 dsplr=9.43945E-01 dsplp=9.20548E-01
     37    36  (MHGPS) GEOPT_SQNM  -1.72206438345157E+02  -1.05E-01  1.398E+00  3.34E+00  0.00E+00  0.00E+00   beta=3.87E-03 dim=007 maxd=2.3E-02 dsplr=9.84489E-01 dsplp=9.61092E-01
     38    37  (MHGPS) GEOPT_SQNM  -1.72290937483033E+02  -8.45E-02  1.301E+00  3.15E+00  0.00E+00  0.00E+00   beta=4.26E-03 dim=008 maxd=1.6E-02 dsplr=1.01685E+00 dsplp=9.93452E-01
     39    38  (MHGPS) GEOPT_SQNM  -1.72407945653623E+02  -1.17E-01  1.176E+00  3.71E+00  0.00E+00  0.00E+00   beta=4.68E-03 dim=008 maxd=3.1E-02 dsplr=1.07094E+00 dsplp=1.04755E+00
     40    39  (MHGPS) GEOPT_SQNM  -1.72485417493582E+02  -7.75E-02  2.348E+00  4.45E+00  0.00E+00  0.00E+00   beta=5.15E-03 dim=008 maxd=1.7E-02 dsplr=1.10661E+00 dsplp=1.08321E+00
     41    40  (MHGPS) GEOPT_SQNM  -1.72560839906378E+02  -7.54E-02  2.269E+00  4.87E+00  0.00E+00  0.00E+00   beta=5.67E-03 dim=008 maxd=1.5E-02 dsplr=1.14404E+00 dsplp=1.12064E+00
     42    41  (MHGPS) GEOPT_SQNM  -1.72627762711432E+02  -6.69E-02  2.277E+00  4.61E+00  0.00E+00  0.00E+00   beta=4.82E-03 dim=009 maxd=1.1E-02 dsplr=1.17429E+00 dsplp=1.15089E+00
     43    42  (MHGPS) GEOPT_SQNM  -1.72700368713574E+02  -7.26E-02  1.429E+00  3.37E+00  0.00E+00  0.00E+00   beta=4.09E-03 dim=009 maxd=1.4E-02 dsplr=1.20866E+00 dsplp=1.18526E+00
     44    43  (MHGPS) GEOPT_SQNM  -1.72743079826928E+02  -4.27E-02  2.781E+00  4.30E+00  0.00E+00  0.00E+00   beta=4.50E-03 dim=010 maxd=8.9E-03 dsplr=1.23473E+00 dsplp=1.21134E+00
     45    44  (MHGPS) GEOPT_SQNM  -1.72788883520106E+02  -4.58E-02  2.985E+00  4.25E+00  0.00E+00  0.00E+00   beta=3.83E-03 dim=010 maxd=1.1E-02 dsplr=1.26638E+00 dsplp=1.24299E+00
     46    45  (MHGPS) GEOPT_SQNM  -1.72835632616008E+02  -4.67E-02  6.834E-01  1.81E+00  0.00E+00  0.00E+00   beta=3.25E-03 dim=010 maxd=1.4E-02 dsplr=1.29969E+00 dsplp=1.27630E+00
     47    46  (MHGPS) GEOPT_SQNM  -1.72854294036652E+02  -1.87E-02  4.691E-01  1.27E+00  0.00E+00  0.00E+00   beta=3.58E-03 dim=010 maxd=7.5E-03 dsplr=1.31897E+00 dsplp=1.29558E+00
     48    47  (MHGPS) GEOPT_SQNM  -1.72865265165863E+02  -1.10E-02  4.850E-01  1.00E+00  0.00E+00  0.00E+00   beta=3.94E-03 dim=010 maxd=5.7E-03 dsplr=1.33378E+00 dsplp=1.31038E+00
     49    48  (MHGPS) GEOPT_SQNM  -1.72870308601133E+02  -5.04E-03  7.873E-01  1.18E+00  0.00E+00  0.00E+00   beta=4.33E-03 dim=010 maxd=4.2E-03 dsplr=1.34412E+00 dsplp=1.32073E+00
     50    49  (MHGPS) GEOPT_SQNM  -1.72874093748473E+02  -3.79E-03  6.510E-01  1.19E+00  0.00E+00  0.00E+00   beta=3.68E-03 dim=010 maxd=5.7E-03 dsplr=1.35935E+00 dsplp=1.33596E+00
     51    50  (MHGPS) GEOPT_SQNM  -1.72876139758550E+02  -2.05E-03  2.315E-01  5.14E-01  0.00E+00  0.00E+00   beta=3.13E-03 dim=010 maxd=2.0E-03 dsplr=1.36464E+00 dsplp=1.34125E+00
     52    51  (MHGPS) GEOPT_SQNM  -1.72876851375515E+02  -7.12E-04  1.089E-01  3.13E-01  0.00E+00  0.00E+00   beta=2.66E-03 dim=010 maxd=1.4E-03 dsplr=1.36782E+00 dsplp=1.34443E+00
     53    52  (MHGPS) GEOPT_SQNM  -1.72877270228476E+02  -4.19E-04  9.363E-02  2.25E-01  0.00E+00  0.00E+00   beta=2.93E-03 dim=010 maxd=1.2E-03 dsplr=1.37090E+00 dsplp=1.34751E+00
     54    53  (MHGPS) GEOPT_SQNM  -1.72877491464213E+02  -2.21E-04  7.901E-02  1.73E-01  0.00E+00  0.00E+00   beta=3.22E-03 dim=010 maxd=9.8E-04 dsplr=1.37321E+00 dsplp=1.34981E+00
     55    54  (MHGPS) GEOPT_SQNM  -1.72877599903695E+02  -1.08E-04  1.069E-01  1.82E-01  0.00E+00  0.00E+00   beta=3.54E-03 dim=010 maxd=6.4E-04 dsplr=1.37502E+00 dsplp=1.35162E+00
     56    55  (MHGPS) GEOPT_SQNM  -1.72877652710520E+02  -5.28E-05  3.843E-02  9.64E-02  0.00E+00  0.00E+00   beta=3.01E-03 dim=010 maxd=2.8E-04 dsplr=1.37589E+00 dsplp=1.35249E+00
     57    56  (MHGPS) GEOPT_SQNM  -1.72877680952377E+02  -2.82E-05  2.570E-02  5.70E-02  0.00E+00  0.00E+00   beta=2.56E-03 dim=010 maxd=2.6E-04 dsplr=1.37656E+00 dsplp=1.35316E+00
     58    57  (MHGPS) GEOPT_SQNM  -1.72877698353007E+02  -1.74E-05  2.097E-02  5.06E-02  0.00E+00  0.00E+00   beta=2.81E-03 dim=010 maxd=2.5E-04 dsplr=1.37710E+00 dsplp=1.35370E+00
     59    58  (MHGPS) GEOPT_SQNM  -1.72877708037352E+02  -9.68E-06  1.820E-02  4.20E-02  0.00E+00  0.00E+00   beta=3.10E-03 dim=010 maxd=1.6E-04 dsplr=1.37744E+00 dsplp=1.35404E+00
     60    59  (MHGPS) GEOPT_SQNM  -1.72877715329626E+02  -7.29E-06  1.508E-02  3.67E-02  0.00E+00  0.00E+00   beta=3.40E-03 dim=010 maxd=1.8E-04 dsplr=1.37775E+00 dsplp=1.35436E+00
     61    60  (MHGPS) GEOPT_SQNM  -1.72877721287251E+02  -5.96E-06  1.240E-02  3.06E-02  0.00E+00  0.00E+00   beta=3.75E-03 dim=010 maxd=1.8E-04 dsplr=1.37807E+00 dsplp=1.35468E+00
     62    61  (MHGPS) GEOPT_SQNM  -1.72877726578104E+02  -5.29E-06  1.007E-02  2.56E-02  0.00E+00  0.00E+00   beta=4.12E-03 dim=010 maxd=1.9E-04 dsplr=1.37842E+00 dsplp=1.35502E+00
     63    62  (MHGPS) GEOPT_SQNM  -1.72877730637006E+02  -4.06E-06  7.461E-03  2.23E-02  0.00E+00  0.00E+00   beta=4.53E-03 dim=010 maxd=1.9E-04 dsplr=1.37875E+00 dsplp=1.35535E+00
     64    63  (MHGPS) GEOPT_SQNM  -1.72877732634907E+02  -2.00E-06  1.839E-02  2.87E-02  0.00E+00  0.00E+00   beta=4.99E-03 dim=010 maxd=1.1E-04 dsplr=1.37897E+00 dsplp=1.35557E+00
     65    64  (MHGPS) GEOPT_SQNM  -1.72877733460864E+02  -8.26E-07  2.928E-02  4.26E-02  0.00E+00  0.00E+00   beta=4.24E-03 dim=010 maxd=9.3E-05 dsplr=1.37918E+00 dsplp=1.35579E+00
     66    65  (MHGPS) GEOPT_SQNM  -1.72877735075884E+02  -1.62E-06  9.734E-03  2.03E-02  0.00E+00  0.00E+00   beta=3.60E-03 dim=010 maxd=7.2E-05 dsplr=1.37935E+00 dsplp=1.35595E+00
     67    66  (MHGPS) GEOPT_SQNM  -1.72877735719059E+02  -6.43E-07  3.256E-03  8.67E-03  0.00E+00  0.00E+00   beta=3.06E-03 dim=010 maxd=5.2E-05 dsplr=1.37947E+00 dsplp=1.35607E+00
     68    67  (MHGPS) GEOPT_SQNM  -1.72877735985378E+02  -2.66E-07  2.065E-03  5.61E-03  0.00E+00  0.00E+00   beta=2.60E-03 dim=010 maxd=2.9E-05 dsplr=1.37955E+00 dsplp=1.35615E+00
     69    68  (MHGPS) GEOPT_SQNM  -1.72877736147113E+02  -1.62E-07  1.350E-03  4.47E-03  0.00E+00  0.00E+00   beta=2.86E-03 dim=010 maxd=2.6E-05 dsplr=1.37960E+00 dsplp=1.35620E+00
     70    69  (MHGPS) GEOPT_SQNM  -1.72877736246056E+02  -9.89E-08  1.064E-03  3.44E-03  0.00E+00  0.00E+00   beta=3.15E-03 dim=010 maxd=2.0E-05 dsplr=1.37964E+00 dsplp=1.35624E+00
     71    70  (MHGPS) GEOPT_SQNM  -1.72877736310543E+02  -6.45E-08  9.167E-04  2.93E-03  0.00E+00  0.00E+00   beta=3.46E-03 dim=010 maxd=1.6E-05 dsplr=1.37968E+00 dsplp=1.35628E+00
     72    71  (MHGPS) GEOPT_SQNM  -1.72877736355748E+02  -4.52E-08  1.404E-03  2.73E-03  0.00E+00  0.00E+00   beta=3.81E-03 dim=010 maxd=1.2E-05 dsplr=1.37971E+00 dsplp=1.35631E+00
     73    72  (MHGPS) GEOPT_SQNM  -1.72877736375523E+02  -1.98E-08  2.374E-03  3.63E-03  0.00E+00  0.00E+00   beta=4.19E-03 dim=010 maxd=6.4E-06 dsplr=1.37973E+00 dsplp=1.35633E+00
     74    73  (MHGPS) GEOPT_SQNM  -1.72877736390670E+02  -1.51E-08  1.850E-03  2.97E-03  0.00E+00  0.00E+00   beta=3.56E-03 dim=010 maxd=4.8E-06 dsplr=1.37974E+00 dsplp=1.35635E+00
     75    74  (MHGPS) GEOPT_SQNM  -1.72877736401461E+02  -1.08E-08  4.578E-04  1.08E-03  0.00E+00  0.00E+00   beta=3.03E-03 dim=010 maxd=3.9E-06 dsplr=1.37975E+00 dsplp=1.35636E+00
     76    75  (MHGPS) GEOPT_SQNM  -1.72877736405577E+02  -4.12E-09  2.541E-04  6.90E-04  0.00E+00  0.00E+00   beta=2.57E-03 dim=010 maxd=2.9E-06 dsplr=1.37976E+00 dsplp=1.35636E+00
     77    76  (MHGPS) GEOPT_SQNM  -1.72877736407691E+02  -2.11E-09  2.053E-04  5.78E-04  0.00E+00  0.00E+00   beta=2.83E-03 dim=010 maxd=2.6E-06 dsplr=1.37977E+00 dsplp=1.35637E+00
     78    77  (MHGPS) GEOPT_SQNM  -1.72877736409073E+02  -1.38E-09  1.602E-04  4.34E-04  0.00E+00  0.00E+00   beta=3.11E-03 dim=010 maxd=1.9E-06 dsplr=1.37977E+00 dsplp=1.35638E+00
     79    78  (MHGPS) GEOPT_SQNM  -1.72877736409985E+02  -9.12E-10  1.460E-04  3.41E-04  0.00E+00  0.00E+00   beta=3.43E-03 dim=010 maxd=1.4E-06 dsplr=1.37978E+00 dsplp=1.35638E+00
     80    79  (MHGPS) GEOPT_SQNM  -1.72877736410512E+02  -5.27E-10  1.518E-04  3.24E-04  0.00E+00  0.00E+00   beta=3.77E-03 dim=010 maxd=1.1E-06 dsplr=1.37978E+00 dsplp=1.35638E+00
  (MHGPS) SQNM converged at iteration  79. Needed energy calls:  80
  (MHGPS)ediff, fpdist  MS  1.8782835E+00  3.6097515E-02
    #........................................................... (MHGPS) Relax from right side
  #(MHGPS) COUNT  IT  GEOPT_METHOD  ENERGY                 DIFF       FMAX       FNRM      FRAC*FLUC FLUC      ADD. INFO
      0     0  (MHGPS) GEOPT_SQNM  -1.70999464104598E+02   0.00E+00  5.855E-03  1.20E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=0.0E+00 dsplr=0.00000E+00 dsplp=0.00000E+00
      1     1  (MHGPS) GEOPT_SQNM  -1.70999464247037E+02  -1.42E-07  5.899E-03  1.19E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=5.9E-06 dsplr=1.19708E-05 dsplp=1.19708E-05
      2     2  (MHGPS) GEOPT_SQNM  -1.70999465470289E+02  -1.22E-06  6.315E-03  1.61E-02  0.00E+00  0.00E+00   beta=1.10E-03 dim=001 maxd=5.3E-05 dsplr=1.19784E-04 dsplp=1.19784E-04
      3     3  (MHGPS) GEOPT_SQNM  -1.70999466770425E+02  -1.30E-06  6.729E-03  1.64E-02  0.00E+00  0.00E+00   beta=1.21E-03 dim=001 maxd=5.2E-05 dsplr=2.23737E-04 dsplp=2.23737E-04
      4     4  (MHGPS) GEOPT_SQNM  -1.70999475265494E+02  -8.50E-06  1.012E-02  2.17E-02  0.00E+00  0.00E+00   beta=1.33E-03 dim=002 maxd=3.0E-04 dsplr=8.31382E-04 dsplp=8.31382E-04
      5     5  (MHGPS) GEOPT_SQNM  -1.70999488067302E+02  -1.28E-05  1.389E-02  2.98E-02  0.00E+00  0.00E+00   beta=1.46E-03 dim=002 maxd=3.7E-04 dsplr=1.57393E-03 dsplp=1.57393E-03
      6     6  (MHGPS) GEOPT_SQNM  -1.70999525425577E+02  -3.74E-05  1.927E-02  4.20E-02  0.00E+00  0.00E+00   beta=1.61E-03 dim=003 maxd=7.7E-04 dsplr=3.11007E-03 dsplp=3.11007E-03
      7     7  (MHGPS) GEOPT_SQNM  -1.70999602339635E+02  -7.69E-05  2.791E-02  5.57E-02  0.00E+00  0.00E+00   beta=1.77E-03 dim=003 maxd=1.1E-03 dsplr=5.33140E-03 dsplp=5.33140E-03
      8     8  (MHGPS) GEOPT_SQNM  -1.70999791334406E+02  -1.89E-04  4.165E-02  8.25E-02  0.00E+00  0.00E+00   beta=1.95E-03 dim=003 maxd=1.9E-03 dsplr=9.02058E-03 dsplp=9.02058E-03
      9     9  (MHGPS) GEOPT_SQNM  -1.71000268219842E+02  -4.77E-04  6.409E-02  1.24E-01  0.00E+00  0.00E+00   beta=2.14E-03 dim=003 maxd=3.0E-03 dsplr=1.50740E-02 dsplp=1.50740E-02
     10    10  (MHGPS) GEOPT_SQNM  -1.71001521406986E+02  -1.25E-03  1.021E-01  1.93E-01  0.00E+00  0.00E+00   beta=2.36E-03 dim=003 maxd=5.1E-03 dsplr=2.51508E-02 dsplp=2.51508E-02
     11    11  (MHGPS) GEOPT_SQNM  -1.71005751391969E+02  -4.23E-03  1.662E-01  3.32E-01  0.00E+00  0.00E+00   beta=2.59E-03 dim=004 maxd=1.0E-02 dsplr=4.51525E-02 dsplp=4.51525E-02
     12    12  (MHGPS) GEOPT_SQNM  -1.71018926460701E+02  -1.32E-02  3.172E-01  5.75E-01  0.00E+00  0.00E+00   beta=2.85E-03 dim=004 maxd=1.8E-02 dsplr=8.12096E-02 dsplp=8.12096E-02
     13    13  (MHGPS) GEOPT_SQNM  -1.71059102096106E+02  -4.02E-02  6.340E-01  1.16E+00  0.00E+00  0.00E+00   beta=3.14E-03 dim=003 maxd=3.3E-02 dsplr=1.46776E-01 dsplp=1.46776E-01
     14    14  (MHGPS) GEOPT_SQNM  -1.71131206647024E+02  -7.21E-02  1.003E+00  2.06E+00  0.00E+00  0.00E+00   beta=3.45E-03 dim=003 maxd=4.1E-02 dsplr=2.30873E-01 dsplp=2.30873E-01
     15    15  (MHGPS) GEOPT_SQNM  -1.71159453382711E+02  -2.82E-02  6.087E-01  1.69E+00  0.00E+00  0.00E+00   beta=3.80E-03 dim=004 maxd=1.2E-02 dsplr=2.51443E-01 dsplp=2.51443E-01
     16    16  (MHGPS) GEOPT_SQNM  -1.71244942001158E+02  -8.55E-02  1.502E+00  3.19E+00  0.00E+00  0.00E+00   beta=4.18E-03 dim=003 maxd=4.7E-02 dsplr=3.44951E-01 dsplp=3.44951E-01
     17    17  (MHGPS) GEOPT_SQNM  -1.71276353122808E+02  -3.14E-02  8.167E-01  1.88E+00  0.00E+00  0.00E+00   beta=3.55E-03 dim=004 maxd=8.7E-03 dsplr=3.61235E-01 dsplp=3.61235E-01
     18    18  (MHGPS) GEOPT_SQNM  -1.71292212587178E+02  -1.59E-02  8.975E-01  2.06E+00  0.00E+00  0.00E+00   beta=3.91E-03 dim=004 maxd=5.7E-03 dsplr=3.74012E-01 dsplp=3.74012E-01
     19    19  (MHGPS) GEOPT_SQNM  -1.71307550804203E+02  -1.53E-02  1.225E+00  2.26E+00  0.00E+00  0.00E+00   beta=4.30E-03 dim=005 maxd=6.7E-03 dsplr=3.86676E-01 dsplp=3.86676E-01
     20    20  (MHGPS) GEOPT_SQNM  -1.71323342006767E+02  -1.58E-02  9.909E-01  2.32E+00  0.00E+00  0.00E+00   beta=4.73E-03 dim=006 maxd=7.0E-03 dsplr=3.99670E-01 dsplp=3.99670E-01
     21    21  (MHGPS) GEOPT_SQNM  -1.71338816553739E+02  -1.55E-02  1.808E+00  3.30E+00  0.00E+00  0.00E+00   beta=5.20E-03 dim=007 maxd=8.7E-03 dsplr=4.16312E-01 dsplp=4.16312E-01
     22    22  (MHGPS) GEOPT_SQNM  -1.71363012793162E+02  -2.42E-02  9.964E-01  2.29E+00  0.00E+00  0.00E+00   beta=4.42E-03 dim=008 maxd=1.0E-02 dsplr=4.34223E-01 dsplp=4.34223E-01
     23    23  (MHGPS) GEOPT_SQNM  -1.71385279234204E+02  -2.23E-02  8.295E-01  2.17E+00  0.00E+00  0.00E+00   beta=4.86E-03 dim=009 maxd=1.1E-02 dsplr=4.52656E-01 dsplp=4.52656E-01
     24    24  (MHGPS) GEOPT_SQNM  -1.71411615911284E+02  -2.63E-02  9.002E-01  2.18E+00  0.00E+00  0.00E+00   beta=5.35E-03 dim=010 maxd=1.3E-02 dsplr=4.74027E-01 dsplp=4.74027E-01
     25    25  (MHGPS) GEOPT_SQNM  -1.71516067311200E+02  -1.04E-01  4.236E+00  7.22E+00  0.00E+00  0.00E+00   beta=5.88E-03 dim=010 maxd=1.0E-01 dsplr=6.62420E-01 dsplp=6.62420E-01
     26    26  (MHGPS) GEOPT_SQNM  -1.71617737130727E+02  -1.02E-01  2.011E+00  5.38E+00  0.00E+00  0.00E+00   beta=5.00E-03 dim=010 maxd=2.2E-02 dsplr=7.02322E-01 dsplp=7.02322E-01
     27    27  (MHGPS) GEOPT_SQNM  -1.71642908915612E+02  -2.52E-02  4.508E+00  7.65E+00  0.00E+00  0.00E+00   beta=4.25E-03 dim=010 maxd=1.8E-02 dsplr=7.34727E-01 dsplp=7.34727E-01
     28    28  (MHGPS) GEOPT_SQNM  -1.71738781783327E+02  -9.59E-02  1.350E+00  3.66E+00  0.00E+00  0.00E+00   beta=3.61E-03 dim=010 maxd=2.5E-02 dsplr=7.75048E-01 dsplp=7.75048E-01
     29    29  (MHGPS) GEOPT_SQNM  -1.71819118839259E+02  -8.03E-02  1.292E+00  3.15E+00  0.00E+00  0.00E+00   beta=3.07E-03 dim=010 maxd=3.8E-02 dsplr=8.31522E-01 dsplp=8.31522E-01
     30    30  (MHGPS) GEOPT_SQNM  -1.71872969661715E+02  -5.39E-02  1.311E+00  3.16E+00  0.00E+00  0.00E+00   beta=3.38E-03 dim=010 maxd=2.3E-02 dsplr=8.62561E-01 dsplp=8.62561E-01
     31    31  (MHGPS) GEOPT_SQNM  -1.71929548052592E+02  -5.66E-02  1.268E+00  2.99E+00  0.00E+00  0.00E+00   beta=3.71E-03 dim=010 maxd=1.2E-02 dsplr=8.92383E-01 dsplp=8.92383E-01
     32    32  (MHGPS) GEOPT_SQNM  -1.71974753866438E+02  -4.52E-02  1.141E+00  2.93E+00  0.00E+00  0.00E+00   beta=4.09E-03 dim=010 maxd=1.2E-02 dsplr=9.12762E-01 dsplp=9.12762E-01
     33    33  (MHGPS) GEOPT_SQNM  -1.72032754880960E+02  -5.80E-02  1.300E+00  3.18E+00  0.00E+00  0.00E+00   beta=4.49E-03 dim=010 maxd=1.4E-02 dsplr=9.39226E-01 dsplp=9.39226E-01
     34    34  (MHGPS) GEOPT_SQNM  -1.72134393561625E+02  -1.02E-01  1.406E+00  3.78E+00  0.00E+00  0.00E+00   beta=4.94E-03 dim=010 maxd=2.3E-02 dsplr=9.85068E-01 dsplp=9.85068E-01
     35    35  (MHGPS) GEOPT_SQNM  -1.72271833924005E+02  -1.37E-01  2.260E+00  4.78E+00  0.00E+00  0.00E+00   beta=5.44E-03 dim=010 maxd=3.0E-02 dsplr=1.04820E+00 dsplp=1.04820E+00
     36    36  (MHGPS) GEOPT_SQNM  -1.72410280955376E+02  -1.38E-01  4.018E+00  7.73E+00  0.00E+00  0.00E+00   beta=5.98E-03 dim=010 maxd=6.1E-02 dsplr=1.15551E+00 dsplp=1.15551E+00
     37    37  (MHGPS) GEOPT_SQNM  -1.72557539443522E+02  -1.47E-01  5.462E+00  8.16E+00  0.00E+00  0.00E+00   beta=5.09E-03 dim=010 maxd=2.5E-02 dsplr=1.21670E+00 dsplp=1.21670E+00
     38    38  (MHGPS) GEOPT_SQNM  -1.72607335123297E+02  -4.98E-02  6.357E+00  1.02E+01  0.00E+00  0.00E+00   beta=4.32E-03 dim=010 maxd=1.6E-02 dsplr=1.26096E+00 dsplp=1.26096E+00
     39    39  (MHGPS) GEOPT_SQNM  -1.72707353411647E+02  -1.00E-01  3.481E+00  6.57E+00  0.00E+00  0.00E+00   beta=3.67E-03 dim=010 maxd=1.2E-02 dsplr=1.29516E+00 dsplp=1.29516E+00
     40    40  (MHGPS) GEOPT_SQNM  -1.72753278341896E+02  -4.59E-02  2.248E+00  4.07E+00  0.00E+00  0.00E+00   beta=3.12E-03 dim=010 maxd=5.9E-03 dsplr=1.31477E+00 dsplp=1.31477E+00
     41    41  (MHGPS) GEOPT_SQNM  -1.72791283843613E+02  -3.80E-02  1.103E+00  2.42E+00  0.00E+00  0.00E+00   beta=2.65E-03 dim=010 maxd=7.4E-03 dsplr=1.33511E+00 dsplp=1.33511E+00
     42    42  (MHGPS) GEOPT_SQNM  -1.72817346888067E+02  -2.61E-02  9.016E-01  1.89E+00  0.00E+00  0.00E+00   beta=2.92E-03 dim=010 maxd=7.2E-03 dsplr=1.35375E+00 dsplp=1.35375E+00
     43    43  (MHGPS) GEOPT_SQNM  -1.72839568909886E+02  -2.22E-02  4.565E-01  1.35E+00  0.00E+00  0.00E+00   beta=3.21E-03 dim=010 maxd=6.7E-03 dsplr=1.37237E+00 dsplp=1.37237E+00
     44    44  (MHGPS) GEOPT_SQNM  -1.72854647791783E+02  -1.51E-02  4.548E-01  1.22E+00  0.00E+00  0.00E+00   beta=3.53E-03 dim=010 maxd=5.9E-03 dsplr=1.38893E+00 dsplp=1.38893E+00
     45    45  (MHGPS) GEOPT_SQNM  -1.72866331181798E+02  -1.17E-02  6.040E-01  1.17E+00  0.00E+00  0.00E+00   beta=3.89E-03 dim=010 maxd=7.8E-03 dsplr=1.40768E+00 dsplp=1.40768E+00
     46    46  (MHGPS) GEOPT_SQNM  -1.72870190571844E+02  -3.86E-03  1.097E+00  1.62E+00  0.00E+00  0.00E+00   beta=4.28E-03 dim=010 maxd=3.7E-03 dsplr=1.41756E+00 dsplp=1.41756E+00
     47    47  (MHGPS) GEOPT_SQNM  -1.72873503651876E+02  -3.31E-03  8.765E-01  1.54E+00  0.00E+00  0.00E+00   beta=3.63E-03 dim=010 maxd=4.5E-03 dsplr=1.43006E+00 dsplp=1.43006E+00
     48    48  (MHGPS) GEOPT_SQNM  -1.72875724120350E+02  -2.22E-03  4.137E-01  8.13E-01  0.00E+00  0.00E+00   beta=3.09E-03 dim=010 maxd=2.4E-03 dsplr=1.43643E+00 dsplp=1.43643E+00
     49    49  (MHGPS) GEOPT_SQNM  -1.72876726756409E+02  -1.00E-03  1.131E-01  3.20E-01  0.00E+00  0.00E+00   beta=2.63E-03 dim=010 maxd=1.5E-03 dsplr=1.43996E+00 dsplp=1.43996E+00
     50    50  (MHGPS) GEOPT_SQNM  -1.72877255574200E+02  -5.29E-04  6.008E-02  2.05E-01  0.00E+00  0.00E+00   beta=2.89E-03 dim=010 maxd=1.4E-03 dsplr=1.44334E+00 dsplp=1.44334E+00
     51    51  (MHGPS) GEOPT_SQNM  -1.72877453767413E+02  -1.98E-04  5.944E-02  1.65E-01  0.00E+00  0.00E+00   beta=3.18E-03 dim=010 maxd=6.9E-04 dsplr=1.44529E+00 dsplp=1.44529E+00
     52    52  (MHGPS) GEOPT_SQNM  -1.72877555244474E+02  -1.01E-04  5.681E-02  1.30E-01  0.00E+00  0.00E+00   beta=3.49E-03 dim=010 maxd=3.7E-04 dsplr=1.44641E+00 dsplp=1.44641E+00
     53    53  (MHGPS) GEOPT_SQNM  -1.72877623528809E+02  -6.83E-05  7.423E-02  1.34E-01  0.00E+00  0.00E+00   beta=3.84E-03 dim=010 maxd=5.0E-04 dsplr=1.44767E+00 dsplp=1.44767E+00
     54    54  (MHGPS) GEOPT_SQNM  -1.72877648535953E+02  -2.50E-05  8.901E-02  1.36E-01  0.00E+00  0.00E+00   beta=3.27E-03 dim=010 maxd=1.7E-04 dsplr=1.44823E+00 dsplp=1.44823E+00
     55    55  (MHGPS) GEOPT_SQNM  -1.72877676805153E+02  -2.83E-05  4.602E-02  8.20E-02  0.00E+00  0.00E+00   beta=2.78E-03 dim=010 maxd=2.1E-04 dsplr=1.44884E+00 dsplp=1.44884E+00
     56    56  (MHGPS) GEOPT_SQNM  -1.72877694183790E+02  -1.74E-05  1.995E-02  5.24E-02  0.00E+00  0.00E+00   beta=2.36E-03 dim=010 maxd=2.0E-04 dsplr=1.44934E+00 dsplp=1.44934E+00
     57    57  (MHGPS) GEOPT_SQNM  -1.72877707313431E+02  -1.31E-05  1.507E-02  4.71E-02  0.00E+00  0.00E+00   beta=2.60E-03 dim=010 maxd=1.6E-04 dsplr=1.44981E+00 dsplp=1.44981E+00
     58    58  (MHGPS) GEOPT_SQNM  -1.72877716625597E+02  -9.31E-06  1.097E-02  3.61E-02  0.00E+00  0.00E+00   beta=2.86E-03 dim=010 maxd=1.5E-04 dsplr=1.45018E+00 dsplp=1.45018E+00
     59    59  (MHGPS) GEOPT_SQNM  -1.72877723028349E+02  -6.40E-06  8.634E-03  3.09E-02  0.00E+00  0.00E+00   beta=3.14E-03 dim=010 maxd=1.3E-04 dsplr=1.45053E+00 dsplp=1.45053E+00
     60    60  (MHGPS) GEOPT_SQNM  -1.72877727704901E+02  -4.68E-06  7.039E-03  2.57E-02  0.00E+00  0.00E+00   beta=3.46E-03 dim=010 maxd=9.7E-05 dsplr=1.45083E+00 dsplp=1.45083E+00
     61    61  (MHGPS) GEOPT_SQNM  -1.72877731153178E+02  -3.45E-06  9.170E-03  2.10E-02  0.00E+00  0.00E+00   beta=3.80E-03 dim=010 maxd=9.6E-05 dsplr=1.45110E+00 dsplp=1.45110E+00
     62    62  (MHGPS) GEOPT_SQNM  -1.72877733216505E+02  -2.06E-06  9.564E-03  1.83E-02  0.00E+00  0.00E+00   beta=4.18E-03 dim=010 maxd=7.8E-05 dsplr=1.45131E+00 dsplp=1.45131E+00
     63    63  (MHGPS) GEOPT_SQNM  -1.72877734442866E+02  -1.23E-06  9.614E-03  1.69E-02  0.00E+00  0.00E+00   beta=4.60E-03 dim=010 maxd=7.4E-05 dsplr=1.45148E+00 dsplp=1.45148E+00
     64    64  (MHGPS) GEOPT_SQNM  -1.72877735027847E+02  -5.85E-07  1.447E-02  1.95E-02  0.00E+00  0.00E+00   beta=3.91E-03 dim=010 maxd=5.4E-05 dsplr=1.45160E+00 dsplp=1.45160E+00
     65    65  (MHGPS) GEOPT_SQNM  -1.72877735585698E+02  -5.58E-07  7.421E-03  1.28E-02  0.00E+00  0.00E+00   beta=3.32E-03 dim=010 maxd=5.5E-05 dsplr=1.45170E+00 dsplp=1.45170E+00
     66    66  (MHGPS) GEOPT_SQNM  -1.72877735901206E+02  -3.16E-07  2.537E-03  7.48E-03  0.00E+00  0.00E+00   beta=2.83E-03 dim=010 maxd=4.8E-05 dsplr=1.45179E+00 dsplp=1.45179E+00
     67    67  (MHGPS) GEOPT_SQNM  -1.72877736057363E+02  -1.56E-07  1.530E-03  4.80E-03  0.00E+00  0.00E+00   beta=2.40E-03 dim=010 maxd=3.0E-05 dsplr=1.45184E+00 dsplp=1.45184E+00
     68    68  (MHGPS) GEOPT_SQNM  -1.72877736158262E+02  -1.01E-07  1.308E-03  4.10E-03  0.00E+00  0.00E+00   beta=2.64E-03 dim=010 maxd=2.3E-05 dsplr=1.45189E+00 dsplp=1.45189E+00
     69    69  (MHGPS) GEOPT_SQNM  -1.72877736229815E+02  -7.16E-08  1.097E-03  3.41E-03  0.00E+00  0.00E+00   beta=2.91E-03 dim=010 maxd=1.5E-05 dsplr=1.45192E+00 dsplp=1.45192E+00
     70    70  (MHGPS) GEOPT_SQNM  -1.72877736291313E+02  -6.15E-08  9.651E-04  2.83E-03  0.00E+00  0.00E+00   beta=3.20E-03 dim=010 maxd=1.6E-05 dsplr=1.45195E+00 dsplp=1.45195E+00
     71    71  (MHGPS) GEOPT_SQNM  -1.72877736330975E+02  -3.97E-08  1.083E-03  2.64E-03  0.00E+00  0.00E+00   beta=3.52E-03 dim=010 maxd=1.2E-05 dsplr=1.45198E+00 dsplp=1.45198E+00
     72    72  (MHGPS) GEOPT_SQNM  -1.72877736363318E+02  -3.23E-08  9.679E-04  2.21E-03  0.00E+00  0.00E+00   beta=3.87E-03 dim=010 maxd=9.4E-06 dsplr=1.45200E+00 dsplp=1.45200E+00
     73    73  (MHGPS) GEOPT_SQNM  -1.72877736388950E+02  -2.56E-08  5.535E-04  1.53E-03  0.00E+00  0.00E+00   beta=4.25E-03 dim=010 maxd=1.1E-05 dsplr=1.45203E+00 dsplp=1.45203E+00
     74    74  (MHGPS) GEOPT_SQNM  -1.72877736398451E+02  -9.50E-09  1.022E-03  1.70E-03  0.00E+00  0.00E+00   beta=4.68E-03 dim=010 maxd=5.7E-06 dsplr=1.45205E+00 dsplp=1.45205E+00
     75    75  (MHGPS) GEOPT_SQNM  -1.72877736403636E+02  -5.18E-09  4.664E-04  1.11E-03  0.00E+00  0.00E+00   beta=3.98E-03 dim=010 maxd=3.5E-06 dsplr=1.45206E+00 dsplp=1.45206E+00
     76    76  (MHGPS) GEOPT_SQNM  -1.72877736406504E+02  -2.87E-09  4.395E-04  8.68E-04  0.00E+00  0.00E+00   beta=3.38E-03 dim=010 maxd=2.1E-06 dsplr=1.45206E+00 dsplp=1.45206E+00
     77    77  (MHGPS) GEOPT_SQNM  -1.72877736408316E+02  -1.81E-09  3.437E-04  6.23E-04  0.00E+00  0.00E+00   beta=2.87E-03 dim=010 maxd=1.7E-06 dsplr=1.45207E+00 dsplp=1.45207E+00
     78    78  (MHGPS) GEOPT_SQNM  -1.72877736409444E+02  -1.13E-09  1.142E-04  3.76E-04  0.00E+00  0.00E+00   beta=2.44E-03 dim=010 maxd=1.3E-06 dsplr=1.45207E+00 dsplp=1.45207E+00
     79    79  (MHGPS) GEOPT_SQNM  -1.72877736410159E+02  -7.16E-10  9.546E-05  2.74E-04  0.00E+00  0.00E+00   beta=2.69E-03 dim=010 maxd=1.4E-06 dsplr=1.45208E+00 dsplp=1.45208E+00
     80    80  (MHGPS) GEOPT_SQNM  -1.72877736410509E+02  -3.50E-10  7.534E-05  2.31E-04  0.00E+00  0.00E+00   beta=2.96E-03 dim=010 maxd=9.2E-07 dsplr=1.45208E+00 dsplp=1.45208E+00
  (MHGPS) SQNM converged at iteration  80. Needed energy calls:  80
  (MHGPS)ediff, fpdist  MS  1.8782835E+00  3.6097458E-02
  (MHGPS)ediff, fpdist  MM  1.9986438E+00  3.6670285E-02
  (MHGPS)ediff, fpdist  MM  1.9021642E+00  2.9728403E-02
  (MHGPS)ediff, fpdist  MM  1.9021642E+00  2.9728432E-02
  (MHGPS)ediff, fpdist  MM  1.9986438E+00  3.6670256E-02
   (MHGPS)connection check not lnl and not rnr   1.50906598564987     
   (MHGPS)connection check not lnl and not rnr   2.23611845070956     
  (MHGPS) connection check connected -1.72877736410512199E+02 -1.72877736410509158E+02
    #(MHGPS) nsad:2; connect minima with following energies
    #(MHGPS) -170.8790926601544 and
    #(MHGPS) -172.8777364105122
  (MHGPS)ediff, fpdist  MM  1.9986438E+00  3.6670285E-02
    #(MHGPS) connect: Minima previously connected. Will not connect again.
    #(MHGPS) nsad:2; connect minima with following energies
    #(MHGPS) -172.8777364105092 and
    #(MHGPS) -170.975572219
  (MHGPS)ediff, fpdist  MM  1.9021642E+00  2.9728403E-02
    #-------------------------------------------------- (MHGPS) Generating TS input guess ....
    #(MHGPS) entering grow_freezstring
     (MHGPS) 001  1.251E+01 -1.714E+02  1.351E+01 -1.696E+02
     (MHGPS) 001  1.524E+01 -1.692E+02  1.591E+01 -1.678E+02
     (MHGPS) 001  1.672E+01 -1.674E+02  1.669E+01 -1.664E+02
     (MHGPS) 001  1.684E+01 -1.663E+02  1.665E+01 -1.657E+02
     (MHGPS) 001  1.592E+01 -1.659E+02  1.592E+01 -1.659E+02
   (MHGPS) No. Energy evaluations for TS guess:  20.0
    #-------------------------------------------------------- (MHGPS) Start Saddle Search ....
    #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    ndim dspl         alpha_strtch
     (MHGPS) GEOPT  0001 0000 -1.66002386810901E+02  0.00E+00  8.76E+00  1.53E+01  1.00E-03 000  0.00000E+00  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  2.34144349991422E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0002 0000 -1.45766413656855E+01  0.00E+00  1.12E+01  2.38E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0003 0001 -1.50380162676754E+01 -4.61E-01  8.04E+00  1.78E+01  1.00E-03 000  2.00E-04  1.00E+00  2.38440E-02  2.38389E-02
  #  (MHGPS) CUOPT  0004 0002 -1.54548492191924E+01 -4.17E-01  7.27E+00  1.42E+01  1.10E-03 001  2.00E-04  9.99E-01  5.19815E-02  5.19645E-02
  #  (MHGPS) CUOPT  0005 0003 -1.59155003282092E+01 -4.61E-01  7.27E+00  1.32E+01  1.21E-03 002  2.00E-04  9.96E-01  9.58627E-02  9.57926E-02
  #  (MHGPS) CUOPT  0006 0004 -1.64468753404702E+01 -5.31E-01  6.99E+00  1.28E+01  1.33E-03 003  2.00E-04  9.89E-01  1.59350E-01  1.59264E-01
  #  (MHGPS) CUOPT  0007 0005 -1.67570124468663E+01 -3.10E-01  6.66E+00  1.08E+01  1.46E-03 003  2.00E-04  9.83E-01  1.96067E-01  1.95897E-01
  #  (MHGPS) CUOPT  0008 0006 -1.72145153300137E+01 -4.58E-01  5.86E+00  9.99E+00  1.61E-03 004  2.00E-04  9.71E-01  2.63099E-01  2.62753E-01
  #  (MHGPS) CUOPT  0009 0007 -1.76802175234191E+01 -4.66E-01  4.56E+00  9.06E+00  1.77E-03 005  2.00E-04  9.49E-01  3.54261E-01  3.53607E-01
  #  (MHGPS) CUOPT  0010 0008 -1.78932373026671E+01 -2.13E-01  3.75E+00  7.97E+00  1.95E-03 005  2.00E-04  9.34E-01  4.03667E-01  4.02648E-01
  #  (MHGPS) CUOPT  0011 0009 -1.80843877923535E+01 -1.91E-01  4.55E+00  8.37E+00  2.14E-03 005  2.00E-04  9.16E-01  4.59786E-01  4.58548E-01
  #  (MHGPS) CUOPT  0012 0010 -1.81679800467117E+01 -8.36E-02  7.80E+00  1.15E+01  2.36E-03 005  2.00E-04  9.05E-01  4.95411E-01  4.94008E-01
  #  (MHGPS) CUOPT  0013 0011 -1.82673649613021E+01 -9.94E-02  3.17E+00  6.77E+00  2.00E-03 005  2.00E-04  8.92E-01  5.33118E-01  5.31634E-01
  #  (MHGPS) CUOPT  0014 0012 -1.83103495576775E+01 -4.30E-02  1.36E+00  3.61E+00  1.70E-03 005  2.00E-04  8.86E-01  5.53520E-01  5.52034E-01
   (MHGPS) minmode overlap               :  0.8854213158716628
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0015 0001 -1.66228349100428E+02 -2.26E-01  8.81E+00  1.45E+01  1.00E-03 000  1.53452E-02  4.00E-04
   (MHGPS) resize step                   :  7.3081242204707256E-002
  #  (MHGPS) GEOPT  0016 0002 -1.66803079070292E+02 -5.75E-01  8.84E+00  1.29E+01  1.10E-03 001  5.89147E-02  4.00E-04
   (MHGPS) resize step                   :  5.8815377029108371E-002
  #  (MHGPS) GEOPT  0017 0003 -1.67278031622519E+02 -4.75E-01  8.57E+00  1.21E+01  1.21E-03 002  1.02960E-01  4.00E-04
   (MHGPS) resize step                   :  8.3411606296032254E-002
  #  (MHGPS) GEOPT  0018 0004 -1.67662743759591E+02 -3.85E-01  7.89E+00  1.14E+01  1.33E-03 003  1.44236E-01  4.00E-04
   (MHGPS) resize step                   :  6.4537626551590732E-002
  #  (MHGPS) GEOPT  0019 0005 -1.67987710361076E+02 -3.25E-01  6.46E+00  1.06E+01  1.46E-03 003  1.92730E-01  4.00E-04
  #  (MHGPS) GEOPT  0020 0006 -1.68323659070200E+02 -3.36E-01  5.62E+00  1.14E+01  1.61E-03 003  2.66725E-01  4.00E-04
  #  (MHGPS) GEOPT  0021 0007 -1.68591583607744E+02 -2.68E-01  2.91E+00  7.43E+00  1.37E-03 004  2.98954E-01  4.00E-04
  #  (MHGPS) GEOPT  0022 0008 -1.68743919836957E+02 -1.52E-01  2.59E+00  6.66E+00  1.51E-03 004  3.37493E-01  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  2.07101022139636E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0023 0000 -4.49669519921452E-01  0.00E+00  5.78E+01  9.18E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0024 0001 -6.51591365132000E+00 -6.07E+00  2.82E+01  4.38E+01  1.00E-03 000  2.00E-04  9.96E-01  9.18094E-02  9.15208E-02
  #  (MHGPS) CUOPT  0025 0002 -8.37795969768917E+00 -1.86E+00  9.97E+00  2.10E+01  1.10E-03 001  2.00E-04  9.87E-01  1.61267E-01  1.60774E-01
  #  (MHGPS) CUOPT  0026 0003 -8.92756014848991E+00 -5.50E-01  7.79E+00  1.53E+01  1.21E-03 002  2.00E-04  9.84E-01  1.96399E-01  1.95908E-01
  #  (MHGPS) CUOPT  0027 0004 -9.37354849731182E+00 -4.46E-01  6.00E+00  1.09E+01  1.33E-03 003  2.00E-04  9.79E-01  2.39762E-01  2.39043E-01
  #  (MHGPS) CUOPT  0028 0005 -9.57963560684865E+00 -2.06E-01  4.65E+00  8.60E+00  1.46E-03 004  2.00E-04  9.76E-01  2.66762E-01  2.65950E-01
  #  (MHGPS) CUOPT  0029 0006 -9.75357824231168E+00 -1.74E-01  3.60E+00  7.07E+00  1.61E-03 005  2.00E-04  9.72E-01  2.94491E-01  2.93569E-01
  #  (MHGPS) CUOPT  0030 0007 -9.94090479018510E+00 -1.87E-01  2.89E+00  6.50E+00  1.77E-03 005  2.00E-04  9.67E-01  3.35877E-01  3.34920E-01
  #  (MHGPS) CUOPT  0031 0008 -1.00617648268568E+01 -1.21E-01  2.30E+00  5.79E+00  1.95E-03 005  2.00E-04  9.63E-01  3.65933E-01  3.64962E-01
  #  (MHGPS) CUOPT  0032 0009 -1.01688186149210E+01 -1.07E-01  1.88E+00  4.69E+00  2.14E-03 005  2.00E-04  9.58E-01  3.94726E-01  3.93735E-01
   (MHGPS) minmode overlap               :  0.9584319790050194
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0033 0009 -1.68857487111979E+02 -1.14E-01  1.82E+00  5.58E+00  1.66E-03 005  3.70525E-01  4.00E-04
  #  (MHGPS) GEOPT  0034 0010 -1.68903284505277E+02 -4.58E-02  1.72E+00  4.33E+00  1.82E-03 006  3.99645E-01  4.00E-04
  #  (MHGPS) GEOPT  0035 0011 -1.68957420367813E+02 -5.41E-02  1.71E+00  3.86E+00  2.00E-03 006  4.19993E-01  4.00E-04
  #  (MHGPS) GEOPT  0036 0012 -1.69048170642622E+02 -9.08E-02  1.55E+00  3.93E+00  2.20E-03 007  4.61592E-01  4.00E-04
  #  (MHGPS) GEOPT  0037 0013 -1.69081068410002E+02 -3.29E-02  1.26E+00  2.71E+00  2.43E-03 007  4.79209E-01  4.00E-04
  #  (MHGPS) GEOPT  0038 0014 -1.69108484561289E+02 -2.74E-02  1.00E+00  2.38E+00  2.67E-03 008  4.95813E-01  4.00E-04
  #  (MHGPS) GEOPT  0039 0015 -1.69139039395848E+02 -3.06E-02  7.71E-01  2.28E+00  2.93E-03 009  5.14208E-01  4.00E-04
  #  (MHGPS) GEOPT  0040 0016 -1.69179147520247E+02 -4.01E-02  8.21E-01  2.31E+00  3.23E-03 010  5.48065E-01  4.00E-04
  #  (MHGPS) GEOPT  0041 0017 -1.69222114575453E+02 -4.30E-02  6.86E-01  2.15E+00  3.55E-03 011  5.84478E-01  4.00E-04
  #  (MHGPS) GEOPT  0042 0018 -1.69246544959320E+02 -2.44E-02  7.41E-01  1.88E+00  3.91E-03 011  6.01593E-01  4.00E-04
  #  (MHGPS) GEOPT  0043 0019 -1.69268785545145E+02 -2.22E-02  6.36E-01  1.72E+00  4.30E-03 012  6.17891E-01  4.00E-04
  #  (MHGPS) GEOPT  0044 0020 -1.69286799225235E+02 -1.80E-02  6.60E-01  1.55E+00  4.73E-03 013  6.31762E-01  4.00E-04
  #  (MHGPS) GEOPT  0045 0021 -1.69303785044496E+02 -1.70E-02  6.00E-01  1.42E+00  5.20E-03 014  6.46392E-01  4.00E-04
  #  (MHGPS) GEOPT  0046 0022 -1.69319959602222E+02 -1.62E-02  6.14E-01  1.35E+00  5.72E-03 015  6.60841E-01  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  2.04715386808641E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0047 0000  6.98179389032450E-01  0.00E+00  3.07E+01  5.36E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0048 0001 -1.46968164898124E+00 -2.17E+00  2.22E+01  3.47E+01  1.00E-03 000  2.00E-04  9.99E-01  5.36028E-02  5.35451E-02
  #  (MHGPS) CUOPT  0049 0002 -2.90386571042471E+00 -1.43E+00  1.87E+01  2.87E+01  1.10E-03 001  2.00E-04  9.95E-01  1.02881E-01  1.02760E-01
  #  (MHGPS) CUOPT  0050 0003 -4.79728226246762E+00 -1.89E+00  1.45E+01  2.66E+01  1.21E-03 002  2.00E-04  9.84E-01  1.91876E-01  1.91438E-01
  #  (MHGPS) CUOPT  0051 0004 -6.70202814868767E+00 -1.90E+00  9.26E+00  2.42E+01  1.33E-03 003  2.00E-04  9.59E-01  3.08462E-01  3.07737E-01
  #  (MHGPS) CUOPT  0052 0005 -7.60331585847561E+00 -9.01E-01  6.73E+00  1.89E+01  1.46E-03 003  2.00E-04  9.41E-01  3.76649E-01  3.75346E-01
  #  (MHGPS) CUOPT  0053 0006 -8.34444193694777E+00 -7.41E-01  4.20E+00  1.25E+01  1.61E-03 004  2.00E-04  9.14E-01  4.60058E-01  4.57866E-01
  #  (MHGPS) CUOPT  0054 0007 -8.69597458656694E+00 -3.52E-01  2.92E+00  8.90E+00  1.77E-03 005  2.00E-04  8.95E-01  5.15810E-01  5.13391E-01
  #  (MHGPS) CUOPT  0055 0008 -8.89049428068304E+00 -1.95E-01  2.13E+00  6.82E+00  1.95E-03 005  2.00E-04  8.84E-01  5.53215E-01  5.50764E-01
  #  (MHGPS) CUOPT  0056 0009 -9.01356411661482E+00 -1.23E-01  1.55E+00  5.22E+00  2.14E-03 005  2.00E-04  8.75E-01  5.84549E-01  5.82052E-01
  #  (MHGPS) CUOPT  0057 0010 -9.08632267778308E+00 -7.28E-02  1.23E+00  4.12E+00  2.36E-03 005  2.00E-04  8.71E-01  6.08070E-01  6.05562E-01
   (MHGPS) minmode overlap               :  0.870551488687431
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0058 0023 -1.69334266564175E+02 -1.43E-02  5.71E-01  1.35E+00  6.29E-03 016  6.74534E-01  4.00E-04
  #  (MHGPS) GEOPT  0059 0024 -1.69356878544434E+02 -2.26E-02  7.12E-01  1.86E+00  6.92E-03 017  6.97395E-01  4.00E-04
  #  (MHGPS) GEOPT  0060 0025 -1.69382647238276E+02 -2.58E-02  8.38E-01  2.08E+00  7.61E-03 018  7.22542E-01  4.00E-04
  #  (MHGPS) GEOPT  0061 0026 -1.69409413561353E+02 -2.68E-02  1.05E+00  2.66E+00  8.37E-03 019  7.51286E-01  4.00E-04
  #  (MHGPS) GEOPT  0062 0027 -1.69447907025541E+02 -3.85E-02  8.48E-01  2.35E+00  7.12E-03 020  7.85483E-01  4.00E-04
  #  (MHGPS) GEOPT  0063 0028 -1.69490522041957E+02 -4.26E-02  1.29E+00  3.16E+00  7.83E-03 021  8.27771E-01  4.00E-04
  #  (MHGPS) GEOPT  0064 0029 -1.69510467418040E+02 -1.99E-02  1.18E+00  3.01E+00  6.65E-03 022  8.47779E-01  4.00E-04
  #  (MHGPS) GEOPT  0065 0030 -1.69542125514666E+02 -3.17E-02  1.80E+00  3.17E+00  5.66E-03 022  8.75845E-01  4.00E-04
  #  (MHGPS) GEOPT  0066 0031 -1.69580308070337E+02 -3.82E-02  1.90E+00  3.58E+00  4.81E-03 023  9.12749E-01  4.00E-04
  #  (MHGPS) GEOPT  0067 0032 -1.69620969725677E+02 -4.07E-02  1.33E+00  2.99E+00  4.09E-03 023  9.53495E-01  4.00E-04
  #  (MHGPS) GEOPT  0068 0033 -1.69655884107876E+02 -3.49E-02  1.13E+00  2.47E+00  3.47E-03 023  9.94388E-01  4.00E-04
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  2.01190202427481E-03
  #  (MHGPS) CUOPT minoverlap -2.09E+01
  #  (MHGPS) CUOPT  0069 0000  5.54379673615845E+00  0.00E+00  2.65E+01  7.10E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0070 0001  2.01854564068740E+00 -3.53E+00  1.62E+01  3.83E+01  1.00E-03 000  2.00E-04  9.97E-01  7.10437E-02  7.09097E-02
  #  (MHGPS) CUOPT  0071 0002  5.18594011842796E-01 -1.50E+00  1.10E+01  2.80E+01  1.10E-03 001  2.00E-04  9.93E-01  1.20039E-01  1.19845E-01
  #  (MHGPS) CUOPT  0072 0003 -7.58138701403337E-01 -1.28E+00  9.39E+00  2.29E+01  1.21E-03 002  2.00E-04  9.86E-01  1.78257E-01  1.77950E-01
  #  (MHGPS) CUOPT  0073 0004 -2.06050633334275E+00 -1.30E+00  6.64E+00  1.97E+01  1.33E-03 003  2.00E-04  9.72E-01  2.63928E-01  2.63372E-01
  #  (MHGPS) CUOPT  0074 0005 -2.97048730103703E+00 -9.10E-01  7.08E+00  1.77E+01  1.46E-03 004  2.00E-04  9.56E-01  3.42230E-01  3.41508E-01
  #  (MHGPS) CUOPT  0075 0006 -3.42088461439243E+00 -4.50E-01  6.73E+00  1.56E+01  1.61E-03 004  2.00E-04  9.45E-01  3.89630E-01  3.88708E-01
  #  (MHGPS) CUOPT  0076 0007 -3.86709469637234E+00 -4.46E-01  4.91E+00  1.24E+01  1.77E-03 004  2.00E-04  9.29E-01  4.49143E-01  4.47964E-01
  #  (MHGPS) CUOPT  0077 0008 -4.19307422172325E+00 -3.26E-01  4.10E+00  1.03E+01  1.95E-03 005  2.00E-04  9.17E-01  4.95888E-01  4.94624E-01
  #  (MHGPS) CUOPT  0078 0009 -4.52880127593670E+00 -3.36E-01  3.73E+00  8.52E+00  2.14E-03 005  2.00E-04  9.02E-01  5.52601E-01  5.51256E-01
  #  (MHGPS) CUOPT  0079 0010 -4.78065398710947E+00 -2.52E-01  2.68E+00  7.54E+00  2.36E-03 005  2.00E-04  8.89E-01  6.02856E-01  6.01396E-01
  #  (MHGPS) CUOPT  0080 0011 -4.98662192111725E+00 -2.06E-01  3.03E+00  7.68E+00  2.59E-03 005  2.00E-04  8.76E-01  6.50314E-01  6.48735E-01
  #  (MHGPS) CUOPT  0081 0012 -5.18198841093298E+00 -1.95E-01  3.37E+00  7.34E+00  2.85E-03 005  2.00E-04  8.62E-01  6.99412E-01  6.97722E-01
  #  (MHGPS) CUOPT  0082 0013 -5.35644348910727E+00 -1.74E-01  3.52E+00  7.05E+00  3.14E-03 005  2.00E-04  8.44E-01  7.55378E-01  7.53520E-01
  #  (MHGPS) CUOPT  0083 0014 -5.42025984534678E+00 -6.38E-02  6.83E+00  1.21E+01  3.45E-03 005  2.00E-04  8.29E-01  8.00981E-01  7.99000E-01
    #INFO: (MHGPS) Curv. raised by more than maxcurvrise  15 5.2617250621000977E-004
  #   (MHGPS) CUOPT  0084 0015 -5.41973367284057E+00  5.26E-04  9.80E+00  1.85E+01  2.93E-03 005  2.00E-04  8.18E-01  8.38778E-01  7.99000E-01
    #INFO: (MHGPS) alpha reset (opt. curv):  1.4672152661170689E-003
  #  (MHGPS) CUOPT  0085 0015 -5.44097353385287E+00 -2.07E-02  6.57E+00  1.16E+01  1.47E-03 000  2.00E-04  8.29E-01  8.56480E-01  8.16700E-01
  #  (MHGPS) CUOPT  0086 0016 -5.48989660645975E+00 -4.89E-02  2.71E+00  5.23E+00  1.25E-03 001  2.00E-04  8.28E-01  8.67394E-01  8.27613E-01
  #  (MHGPS) CUOPT  0087 0017 -5.50168734628378E+00 -1.18E-02  1.29E+00  3.15E+00  1.06E-03 002  2.00E-04  8.27E-01  8.72563E-01  8.32783E-01
   (MHGPS) minmode overlap               :  0.8271827097366049
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0088 0034 -1.69661288424868E+02 -5.40E-03  6.41E-01  1.57E+00  3.82E-03 024  1.02837E+00  4.00E-04
  #  (MHGPS) GEOPT  0089 0035 -1.69662565157519E+02 -1.28E-03  6.31E-01  1.54E+00  4.20E-03 024  1.05551E+00  4.00E-04
  #  (MHGPS) GEOPT  0090 0036 -1.69661783353996E+02  7.82E-04  4.56E-01  1.30E+00  4.62E-03 024  1.08127E+00  4.00E-04
  #  (MHGPS) GEOPT  0091 0037 -1.69660700684947E+02  1.08E-03  4.69E-01  1.15E+00  5.09E-03 025  1.10269E+00  4.00E-04
  #  (MHGPS) GEOPT  0092 0038 -1.69659344959205E+02  1.36E-03  3.55E-01  9.05E-01  5.59E-03 025  1.12420E+00  4.00E-04
  #  (MHGPS) GEOPT  0093 0039 -1.69657589403083E+02  1.76E-03  2.73E-01  7.34E-01  6.15E-03 024  1.14118E+00  4.00E-04
  #  (MHGPS) GEOPT  0094 0040 -1.69655322263312E+02  2.27E-03  2.94E-01  7.48E-01  6.77E-03 024  1.15724E+00  4.00E-04
  #  (MHGPS) GEOPT  0095 0041 -1.69654391974039E+02  9.30E-04  2.92E-01  7.08E-01  7.45E-03 024  1.17294E+00  4.00E-04
  #  (MHGPS) GEOPT  0096 0042 -1.69652563995911E+02  1.83E-03  5.01E-01  1.00E+00  6.33E-03 024  1.18539E+00  4.00E-04
  #  (MHGPS) GEOPT  0097 0043 -1.69651692528615E+02  8.71E-04  3.58E-01  8.20E-01  5.38E-03 024  1.19753E+00  4.00E-04
  #  (MHGPS) GEOPT  0098 0044 -1.69652260802363E+02 -5.68E-04  2.78E-01  6.43E-01  4.57E-03 024  1.20527E+00  4.00E-04
  #  (MHGPS) GEOPT  0099 0045 -1.69653137380945E+02 -8.77E-04  1.27E-01  3.95E-01  3.89E-03 025  1.21051E+00  4.00E-04
  #  (MHGPS) GEOPT  0100 0046 -1.69653599358131E+02 -4.62E-04  9.47E-02  2.98E-01  3.30E-03 025  1.21337E+00  4.00E-04
  #  (MHGPS) GEOPT  0101 0047 -1.69654034019311E+02 -4.35E-04  7.23E-02  2.23E-01  3.63E-03 025  1.21617E+00  4.00E-04
  #  (MHGPS) GEOPT  0102 0048 -1.69654409244950E+02 -3.75E-04  6.81E-02  1.98E-01  4.00E-03 025  1.21907E+00  4.00E-04
  #  (MHGPS) GEOPT  0103 0049 -1.69654727020334E+02 -3.18E-04  6.53E-02  1.56E-01  4.40E-03 025  1.22191E+00  4.00E-04
  #  (MHGPS) GEOPT  0104 0050 -1.69654995181533E+02 -2.68E-04  6.13E-02  1.43E-01  4.84E-03 025  1.22444E+00  4.00E-04
  #  (MHGPS) GEOPT  0105 0051 -1.69655207279576E+02 -2.12E-04  5.84E-02  1.34E-01  5.32E-03 025  1.22670E+00  4.00E-04
  #  (MHGPS) GEOPT  0106 0052 -1.69655409643582E+02 -2.02E-04  8.31E-02  1.69E-01  5.85E-03 025  1.22904E+00  4.00E-04
  #  (MHGPS) GEOPT  0107 0053 -1.69655598829513E+02 -1.89E-04  1.16E-01  2.23E-01  6.44E-03 025  1.23159E+00  4.00E-04
  #  (MHGPS) GEOPT  0108 0054 -1.69655786562982E+02 -1.88E-04  4.99E-02  1.42E-01  5.47E-03 025  1.23386E+00  4.00E-04
  #  (MHGPS) GEOPT  0109 0055 -1.69655945758154E+02 -1.59E-04  5.60E-02  1.21E-01  6.02E-03 025  1.23619E+00  4.00E-04
  #  (MHGPS) GEOPT  0110 0056 -1.69656101128562E+02 -1.55E-04  6.32E-02  1.31E-01  6.62E-03 025  1.23892E+00  4.00E-04
  #  (MHGPS) GEOPT  0111 0057 -1.69656296840290E+02 -1.96E-04  6.90E-02  1.48E-01  7.28E-03 025  1.24294E+00  4.00E-04
  #  (MHGPS) GEOPT  0112 0058 -1.69656293214344E+02  3.63E-06  1.54E-01  2.95E-01  8.01E-03 025  1.24473E+00  4.00E-04
  #  (MHGPS) GEOPT  0113 0059 -1.69656336901071E+02 -4.37E-05  1.80E-01  3.08E-01  6.81E-03 025  1.24711E+00  4.00E-04
  #  (MHGPS) GEOPT  0114 0060 -1.69656372697861E+02 -3.58E-05  1.83E-01  3.59E-01  5.79E-03 025  1.24993E+00  4.00E-04
  #  (MHGPS) GEOPT  0115 0061 -1.69656422567262E+02 -4.99E-05  1.86E-01  3.60E-01  4.92E-03 025  1.25254E+00  4.00E-04
  #  (MHGPS) GEOPT  0116 0062 -1.69656469109180E+02 -4.65E-05  2.28E-01  3.29E-01  4.18E-03 025  1.25487E+00  4.00E-04
  #  (MHGPS) GEOPT  0117 0063 -1.69656539681183E+02 -7.06E-05  8.23E-02  1.72E-01  3.55E-03 025  1.25683E+00  4.00E-04
  #  (MHGPS) GEOPT  0118 0064 -1.69656568376093E+02 -2.87E-05  2.29E-02  7.01E-02  3.02E-03 025  1.25800E+00  4.00E-04
  #  (MHGPS) GEOPT  0119 0065 -1.69656575900069E+02 -7.52E-06  1.83E-02  4.59E-02  2.57E-03 025  1.25857E+00  4.00E-04
  #  (MHGPS) GEOPT  0120 0066 -1.69656582710581E+02 -6.81E-06  1.31E-02  3.62E-02  2.18E-03 025  1.25905E+00  4.00E-04
  #  (MHGPS) GEOPT  0121 0067 -1.69656588572122E+02 -5.86E-06  9.10E-03  3.01E-02  2.40E-03 024  1.25951E+00  4.00E-04
  #  (MHGPS) GEOPT  0122 0068 -1.69656593279283E+02 -4.71E-06  1.13E-02  2.82E-02  2.64E-03 024  1.25979E+00  4.00E-04
  #  (MHGPS) GEOPT  0123 0069 -1.69656596051585E+02 -2.77E-06  6.86E-03  1.97E-02  2.91E-03 023  1.25995E+00  4.00E-04
  #  (MHGPS) GEOPT  0124 0070 -1.69656599418622E+02 -3.37E-06  6.69E-03  1.89E-02  3.20E-03 024  1.26026E+00  4.00E-04
  #  (MHGPS) GEOPT  0125 0071 -1.69656601697576E+02 -2.28E-06  6.17E-03  1.65E-02  3.52E-03 024  1.26050E+00  4.00E-04
  #  (MHGPS) GEOPT  0126 0072 -1.69656603432179E+02 -1.73E-06  5.87E-03  1.40E-02  3.87E-03 024  1.26070E+00  4.00E-04
  #  (MHGPS) GEOPT  0127 0073 -1.69656604932983E+02 -1.50E-06  5.32E-03  1.18E-02  4.25E-03 024  1.26092E+00  4.00E-04
  #  (MHGPS) GEOPT  0128 0074 -1.69656606079031E+02 -1.15E-06  4.81E-03  1.07E-02  4.68E-03 024  1.26113E+00  4.00E-04
  #  (MHGPS) GEOPT  0129 0075 -1.69656607187126E+02 -1.11E-06  3.95E-03  9.86E-03  5.15E-03 025  1.26135E+00  4.00E-04
  #  (MHGPS) GEOPT  0130 0076 -1.69656607978840E+02 -7.92E-07  3.45E-03  9.02E-03  5.66E-03 024  1.26153E+00  4.00E-04
  #  (MHGPS) GEOPT  0131 0077 -1.69656608704433E+02 -7.26E-07  4.28E-03  1.05E-02  6.23E-03 024  1.26171E+00  4.00E-04
  #  (MHGPS) GEOPT  0132 0078 -1.69656609261800E+02 -5.57E-07  5.89E-03  1.32E-02  6.85E-03 024  1.26187E+00  4.00E-04
  #  (MHGPS) GEOPT  0133 0079 -1.69656609757010E+02 -4.95E-07  3.40E-03  9.49E-03  5.82E-03 024  1.26202E+00  4.00E-04
  #  (MHGPS) GEOPT  0134 0080 -1.69656610174760E+02 -4.18E-07  1.71E-03  5.84E-03  4.95E-03 025  1.26220E+00  4.00E-04
  #  (MHGPS) GEOPT  0135 0081 -1.69656610369246E+02 -1.94E-07  1.95E-03  4.64E-03  5.45E-03 025  1.26230E+00  4.00E-04
  #  (MHGPS) GEOPT  0136 0082 -1.69656610511197E+02 -1.42E-07  1.96E-03  3.92E-03  5.99E-03 025  1.26236E+00  4.00E-04
  #  (MHGPS) GEOPT  0137 0083 -1.69656610643460E+02 -1.32E-07  2.15E-03  4.52E-03  6.59E-03 025  1.26245E+00  4.00E-04
  #  (MHGPS) GEOPT  0138 0084 -1.69656610696427E+02 -5.30E-08  5.52E-03  8.74E-03  7.25E-03 025  1.26251E+00  4.00E-04
  #  (MHGPS) GEOPT  0139 0085 -1.69656610746413E+02 -5.00E-08  4.04E-03  8.13E-03  6.16E-03 025  1.26257E+00  4.00E-04
  #  (MHGPS) GEOPT  0140 0086 -1.69656610777255E+02 -3.08E-08  2.88E-03  6.93E-03  5.24E-03 025  1.26261E+00  4.00E-04
  #  (MHGPS) GEOPT  0141 0087 -1.69656610794345E+02 -1.71E-08  3.23E-03  5.91E-03  4.45E-03 025  1.26265E+00  4.00E-04
  #  (MHGPS) GEOPT  0142 0088 -1.69656610788617E+02  5.73E-09  3.06E-03  6.28E-03  3.78E-03 025  1.26267E+00  4.00E-04
  #  (MHGPS) GEOPT  0143 0089 -1.69656610781741E+02  6.88E-09  2.99E-03  5.78E-03  3.22E-03 025  1.26270E+00  4.00E-04
  #  (MHGPS) GEOPT  0144 0090 -1.69656610787192E+02 -5.45E-09  2.28E-03  4.16E-03  2.73E-03 025  1.26274E+00  4.00E-04
  #  (MHGPS) GEOPT  0145 0091 -1.69656610792810E+02 -5.62E-09  1.03E-03  2.30E-03  2.32E-03 025  1.26276E+00  4.00E-04
  #  (MHGPS) GEOPT  0146 0092 -1.69656610790177E+02  2.63E-09  5.54E-04  1.56E-03  1.97E-03 025  1.26278E+00  4.00E-04
  #  (MHGPS) GEOPT  0147 0093 -1.69656610788653E+02  1.52E-09  5.64E-04  1.61E-03  1.68E-03 025  1.26279E+00  4.00E-04
  #  (MHGPS) GEOPT  0148 0094 -1.69656610789571E+02 -9.19E-10  5.28E-04  1.28E-03  1.85E-03 025  1.26280E+00  4.00E-04
  #  (MHGPS) GEOPT  0149 0095 -1.69656610791245E+02 -1.67E-09  4.85E-04  1.05E-03  2.03E-03 025  1.26281E+00  4.00E-04
  #  (MHGPS) GEOPT  0150 0096 -1.69656610793815E+02 -2.57E-09  3.89E-04  8.14E-04  2.23E-03 025  1.26281E+00  4.00E-04
    #(MHGPS) tightening
    #(MHGPS) METHOD COUNT  IT  CURVATURE             DIFF      GMAX      GNRM      alpha    ndim alpha_strtch overl. displr       displp
   (MHGPS) Finite difference spacing for curvature computation:  1.76547250223324E-03
  #  (MHGPS) CUOPT minoverlap -2.00E+00
  #  (MHGPS) CUOPT  0151 0000 -1.61568519193541E+00  0.00E+00  2.15E+01  4.77E+01  1.00E-03 000  2.00E-04  1.00E+00  0.00000E+00  0.00000E+00
  #  (MHGPS) CUOPT  0152 0001 -3.39577901985647E+00 -1.78E+00  1.39E+01  3.02E+01  1.00E-03 000  2.00E-04  9.99E-01  4.77281E-02  4.76874E-02
  #  (MHGPS) CUOPT  0153 0002 -4.54280291334893E+00 -1.15E+00  1.13E+01  2.11E+01  1.10E-03 001  2.00E-04  9.95E-01  9.97168E-02  9.95963E-02
  #  (MHGPS) CUOPT  0154 0003 -5.29524929539189E+00 -7.52E-01  7.72E+00  1.72E+01  1.21E-03 002  2.00E-04  9.90E-01  1.51333E-01  1.51166E-01
  #  (MHGPS) CUOPT  0155 0004 -5.93846698081523E+00 -6.43E-01  5.15E+00  1.42E+01  1.33E-03 003  2.00E-04  9.82E-01  2.12439E-01  2.12048E-01
  #  (MHGPS) CUOPT  0156 0005 -6.24360184046858E+00 -3.05E-01  3.99E+00  1.16E+01  1.46E-03 003  2.00E-04  9.77E-01  2.45248E-01  2.44801E-01
  #  (MHGPS) CUOPT  0157 0006 -6.54906559886848E+00 -3.05E-01  3.41E+00  8.48E+00  1.61E-03 004  2.00E-04  9.69E-01  2.88968E-01  2.88445E-01
  #  (MHGPS) CUOPT  0158 0007 -6.75164439728999E+00 -2.03E-01  2.85E+00  6.90E+00  1.77E-03 005  2.00E-04  9.61E-01  3.31896E-01  3.31275E-01
  #  (MHGPS) CUOPT  0159 0008 -6.87949279322003E+00 -1.28E-01  2.39E+00  5.43E+00  1.95E-03 005  2.00E-04  9.54E-01  3.64942E-01  3.64294E-01
  #  (MHGPS) CUOPT  0160 0009 -6.96610846141241E+00 -8.66E-02  2.01E+00  4.64E+00  2.14E-03 005  2.00E-04  9.49E-01  3.91374E-01  3.90704E-01
   (MHGPS) minmode overlap               :  0.9489466124927866
    #  #(MHGPS) METHOD COUNT  IT  Energy                DIFF      FMAX      FNRM      alpha    
  #  (MHGPS) GEOPT  0161 0097 -1.69656610799168E+02 -5.35E-09  2.64E-04  7.42E-04  2.46E-03 025  1.26282E+00  4.00E-04
   (MHGPS) convergence at                :  161
  (MHGPS)ediff, fpdist  SS  1.3428421E+00  1.9357964E-02
    #............................................................ (MHGPS) Relax from left side
  #(MHGPS) COUNT  IT  GEOPT_METHOD  ENERGY                 DIFF       FMAX       FNRM      FRAC*FLUC FLUC      ADD. INFO
      0     0  (MHGPS) GEOPT_SQNM  -1.69656620258453E+02   0.00E+00  7.289E-03  1.21E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=0.0E+00 dsplr=0.00000E+00 dsplp=0.00000E+00
      1     1  (MHGPS) GEOPT_SQNM  -1.69656620404551E+02  -1.46E-07  7.303E-03  1.20E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=7.3E-06 dsplr=1.21293E-05 dsplp=1.21293E-05
      2     2  (MHGPS) GEOPT_SQNM  -1.69656621595112E+02  -1.19E-06  7.438E-03  1.62E-02  0.00E+00  0.00E+00   beta=1.10E-03 dim=001 maxd=6.3E-05 dsplr=1.16367E-04 dsplp=1.16367E-04
      3     3  (MHGPS) GEOPT_SQNM  -1.69656622855438E+02  -1.26E-06  7.644E-03  1.70E-02  0.00E+00  0.00E+00   beta=1.21E-03 dim=001 maxd=6.0E-05 dsplr=2.15739E-04 dsplp=2.15739E-04
      4     4  (MHGPS) GEOPT_SQNM  -1.69656632092886E+02  -9.24E-06  1.068E-02  2.24E-02  0.00E+00  0.00E+00   beta=1.33E-03 dim=002 maxd=3.8E-04 dsplr=8.44549E-04 dsplp=8.44549E-04
      5     5  (MHGPS) GEOPT_SQNM  -1.69656647176053E+02  -1.51E-05  1.497E-02  3.16E-02  0.00E+00  0.00E+00   beta=1.46E-03 dim=002 maxd=4.9E-04 dsplr=1.64642E-03 dsplp=1.64642E-03
      6     6  (MHGPS) GEOPT_SQNM  -1.69656689240519E+02  -4.21E-05  2.059E-02  4.61E-02  0.00E+00  0.00E+00   beta=1.61E-03 dim=003 maxd=9.3E-04 dsplr=3.19469E-03 dsplp=3.19469E-03
      7     7  (MHGPS) GEOPT_SQNM  -1.69656781290938E+02  -9.21E-05  3.209E-02  6.09E-02  0.00E+00  0.00E+00   beta=1.77E-03 dim=003 maxd=1.4E-03 dsplr=5.51343E-03 dsplp=5.51343E-03
      8     8  (MHGPS) GEOPT_SQNM  -1.69657026113155E+02  -2.45E-04  5.319E-02  9.47E-02  0.00E+00  0.00E+00   beta=1.95E-03 dim=003 maxd=2.4E-03 dsplr=9.56098E-03 dsplp=9.56098E-03
      9     9  (MHGPS) GEOPT_SQNM  -1.69657680908819E+02  -6.55E-04  8.848E-02  1.49E-01  0.00E+00  0.00E+00   beta=2.14E-03 dim=003 maxd=4.1E-03 dsplr=1.63810E-02 dsplp=1.63810E-02
     10    10  (MHGPS) GEOPT_SQNM  -1.69659490710327E+02  -1.81E-03  1.499E-01  2.41E-01  0.00E+00  0.00E+00   beta=2.36E-03 dim=003 maxd=7.1E-03 dsplr=2.80239E-02 dsplp=2.80239E-02
     11    11  (MHGPS) GEOPT_SQNM  -1.69665544943707E+02  -6.05E-03  2.795E-01  4.25E-01  0.00E+00  0.00E+00   beta=2.59E-03 dim=004 maxd=1.4E-02 dsplr=5.09784E-02 dsplp=5.09784E-02
     12    12  (MHGPS) GEOPT_SQNM  -1.69680321314574E+02  -1.48E-02  4.632E-01  7.62E-01  0.00E+00  0.00E+00   beta=2.85E-03 dim=004 maxd=2.2E-02 dsplr=8.62306E-02 dsplp=8.62306E-02
     13    13  (MHGPS) GEOPT_SQNM  -1.69698743719153E+02  -1.84E-02  5.827E-01  1.05E+00  0.00E+00  0.00E+00   beta=3.14E-03 dim=003 maxd=2.0E-02 dsplr=1.18630E-01 dsplp=1.18630E-01
     14    14  (MHGPS) GEOPT_SQNM  -1.69702672803411E+02  -3.93E-03  4.583E-01  8.85E-01  0.00E+00  0.00E+00   beta=3.45E-03 dim=003 maxd=2.7E-03 dsplr=1.23021E-01 dsplp=1.23021E-01
     15    15  (MHGPS) GEOPT_SQNM  -1.69745228381073E+02  -4.26E-02  7.955E-01  1.41E+00  0.00E+00  0.00E+00   beta=3.80E-03 dim=004 maxd=3.5E-02 dsplr=1.79235E-01 dsplp=1.79235E-01
     16    16  (MHGPS) GEOPT_SQNM  -1.69758731468766E+02  -1.35E-02  6.486E-01  1.37E+00  0.00E+00  0.00E+00   beta=4.18E-03 dim=004 maxd=6.8E-03 dsplr=1.92216E-01 dsplp=1.92216E-01
     17    17  (MHGPS) GEOPT_SQNM  -1.69777337677835E+02  -1.86E-02  6.239E-01  1.79E+00  0.00E+00  0.00E+00   beta=4.59E-03 dim=004 maxd=1.0E-02 dsplr=2.11448E-01 dsplp=2.11448E-01
     18    18  (MHGPS) GEOPT_SQNM  -1.69822864652853E+02  -4.55E-02  1.568E+00  3.12E+00  0.00E+00  0.00E+00   beta=5.05E-03 dim=004 maxd=3.0E-02 dsplr=2.60229E-01 dsplp=2.60229E-01
     19    19  (MHGPS) GEOPT_SQNM  -1.69855939452028E+02  -3.31E-02  1.600E+00  3.00E+00  0.00E+00  0.00E+00   beta=5.56E-03 dim=005 maxd=1.3E-02 dsplr=2.90605E-01 dsplp=2.90605E-01
     20    20  (MHGPS) GEOPT_SQNM  -1.69876907346426E+02  -2.10E-02  8.988E-01  2.30E+00  0.00E+00  0.00E+00   beta=4.73E-03 dim=006 maxd=8.8E-03 dsplr=3.08417E-01 dsplp=3.08417E-01
     21    21  (MHGPS) GEOPT_SQNM  -1.69893530991996E+02  -1.66E-02  6.610E-01  1.75E+00  0.00E+00  0.00E+00   beta=4.02E-03 dim=007 maxd=7.4E-03 dsplr=3.23073E-01 dsplp=3.23073E-01
     22    22  (MHGPS) GEOPT_SQNM  -1.69906227169219E+02  -1.27E-02  6.097E-01  1.61E+00  0.00E+00  0.00E+00   beta=4.42E-03 dim=008 maxd=6.2E-03 dsplr=3.35996E-01 dsplp=3.35996E-01
     23    23  (MHGPS) GEOPT_SQNM  -1.69919937639558E+02  -1.37E-02  5.122E-01  1.36E+00  0.00E+00  0.00E+00   beta=4.86E-03 dim=009 maxd=6.4E-03 dsplr=3.51634E-01 dsplp=3.51634E-01
     24    24  (MHGPS) GEOPT_SQNM  -1.69933477254136E+02  -1.35E-02  4.425E-01  1.22E+00  0.00E+00  0.00E+00   beta=5.35E-03 dim=010 maxd=7.7E-03 dsplr=3.70165E-01 dsplp=3.70165E-01
     25    25  (MHGPS) GEOPT_SQNM  -1.69944703843107E+02  -1.12E-02  5.221E-01  1.11E+00  0.00E+00  0.00E+00   beta=5.88E-03 dim=010 maxd=8.2E-03 dsplr=3.88819E-01 dsplp=3.88819E-01
     26    26  (MHGPS) GEOPT_SQNM  -1.69954025911859E+02  -9.32E-03  4.897E-01  1.21E+00  0.00E+00  0.00E+00   beta=6.47E-03 dim=010 maxd=8.5E-03 dsplr=4.06082E-01 dsplp=4.06082E-01
     27    27  (MHGPS) GEOPT_SQNM  -1.69965970313061E+02  -1.19E-02  6.782E-01  1.49E+00  0.00E+00  0.00E+00   beta=7.12E-03 dim=010 maxd=7.6E-03 dsplr=4.25766E-01 dsplp=4.25766E-01
     28    28  (MHGPS) GEOPT_SQNM  -1.69971888150348E+02  -5.92E-03  1.869E+00  3.64E+00  0.00E+00  0.00E+00   beta=7.83E-03 dim=010 maxd=8.6E-03 dsplr=4.46192E-01 dsplp=4.46192E-01
     29    29  (MHGPS) GEOPT_SQNM  -1.69981574343789E+02  -9.69E-03  2.035E+00  3.97E+00  0.00E+00  0.00E+00   beta=6.65E-03 dim=010 maxd=8.8E-03 dsplr=4.65516E-01 dsplp=4.65516E-01
     30    30  (MHGPS) GEOPT_SQNM  -1.70003742020574E+02  -2.22E-02  2.708E+00  4.21E+00  0.00E+00  0.00E+00   beta=5.66E-03 dim=010 maxd=1.6E-02 dsplr=4.97807E-01 dsplp=4.97807E-01
     31    31  (MHGPS) GEOPT_SQNM  -1.70058850156972E+02  -5.51E-02  2.293E+00  3.92E+00  0.00E+00  0.00E+00   beta=4.81E-03 dim=010 maxd=2.4E-02 dsplr=5.53606E-01 dsplp=5.53606E-01
     32    32  (MHGPS) GEOPT_SQNM  -1.70152857594200E+02  -9.40E-02  1.192E+00  2.78E+00  0.00E+00  0.00E+00   beta=4.09E-03 dim=010 maxd=3.1E-02 dsplr=6.25629E-01 dsplp=6.25629E-01
     33    33  (MHGPS) GEOPT_SQNM  -1.70278852030035E+02  -1.26E-01  1.099E+00  2.81E+00  0.00E+00  0.00E+00   beta=4.49E-03 dim=010 maxd=3.9E-02 dsplr=7.08856E-01 dsplp=7.08856E-01
     34    34  (MHGPS) GEOPT_SQNM  -1.70420085884407E+02  -1.41E-01  1.864E+00  3.82E+00  0.00E+00  0.00E+00   beta=4.94E-03 dim=010 maxd=4.3E-02 dsplr=8.03215E-01 dsplp=8.03215E-01
     35    35  (MHGPS) GEOPT_SQNM  -1.70484979948123E+02  -6.49E-02  1.526E+00  3.35E+00  0.00E+00  0.00E+00   beta=5.44E-03 dim=010 maxd=1.5E-02 dsplr=8.34033E-01 dsplp=8.34033E-01
     36    36  (MHGPS) GEOPT_SQNM  -1.70543852104304E+02  -5.89E-02  1.329E+00  3.60E+00  0.00E+00  0.00E+00   beta=5.98E-03 dim=010 maxd=1.6E-02 dsplr=8.62459E-01 dsplp=8.62459E-01
     37    37  (MHGPS) GEOPT_SQNM  -1.70593082588742E+02  -4.92E-02  2.336E+00  5.16E+00  0.00E+00  0.00E+00   beta=6.58E-03 dim=010 maxd=1.7E-02 dsplr=8.93535E-01 dsplp=8.93535E-01
     38    38  (MHGPS) GEOPT_SQNM  -1.70678943118373E+02  -8.59E-02  1.982E+00  4.75E+00  0.00E+00  0.00E+00   beta=5.59E-03 dim=010 maxd=2.3E-02 dsplr=9.36321E-01 dsplp=9.36321E-01
     39    39  (MHGPS) GEOPT_SQNM  -1.70779585111340E+02  -1.01E-01  1.577E+00  3.60E+00  0.00E+00  0.00E+00   beta=4.75E-03 dim=010 maxd=2.9E-02 dsplr=9.85936E-01 dsplp=9.85936E-01
     40    40  (MHGPS) GEOPT_SQNM  -1.70879905310201E+02  -1.00E-01  1.417E+00  3.62E+00  0.00E+00  0.00E+00   beta=5.23E-03 dim=010 maxd=3.3E-02 dsplr=1.04226E+00 dsplp=1.04226E+00
     41    41  (MHGPS) GEOPT_SQNM  -1.70956761141995E+02  -7.69E-02  2.154E+00  5.03E+00  0.00E+00  0.00E+00   beta=5.75E-03 dim=010 maxd=2.8E-02 dsplr=1.09000E+00 dsplp=1.09000E+00
     42    42  (MHGPS) GEOPT_SQNM  -1.71046893048982E+02  -9.01E-02  1.946E+00  3.81E+00  0.00E+00  0.00E+00   beta=4.89E-03 dim=010 maxd=2.7E-02 dsplr=1.13518E+00 dsplp=1.13518E+00
     43    43  (MHGPS) GEOPT_SQNM  -1.71123237346464E+02  -7.63E-02  3.103E+00  5.64E+00  0.00E+00  0.00E+00   beta=5.38E-03 dim=010 maxd=3.2E-02 dsplr=1.18833E+00 dsplp=1.18833E+00
     44    44  (MHGPS) GEOPT_SQNM  -1.71212173000580E+02  -8.89E-02  2.897E+00  6.01E+00  0.00E+00  0.00E+00   beta=4.57E-03 dim=010 maxd=3.0E-02 dsplr=1.23860E+00 dsplp=1.23860E+00
     45    45  (MHGPS) GEOPT_SQNM  -1.71355192530843E+02  -1.43E-01  5.302E+00  9.10E+00  0.00E+00  0.00E+00   beta=3.89E-03 dim=010 maxd=8.5E-02 dsplr=1.37555E+00 dsplp=1.37555E+00
     46    46  (MHGPS) GEOPT_SQNM  -1.71493427800772E+02  -1.38E-01  3.317E+00  5.82E+00  0.00E+00  0.00E+00   beta=3.30E-03 dim=010 maxd=2.8E-02 dsplr=1.42352E+00 dsplp=1.42352E+00
     47    47  (MHGPS) GEOPT_SQNM  -1.71578810601827E+02  -8.54E-02  1.544E+00  3.73E+00  0.00E+00  0.00E+00   beta=2.81E-03 dim=010 maxd=2.6E-02 dsplr=1.46651E+00 dsplp=1.46651E+00
     48    48  (MHGPS) GEOPT_SQNM  -1.71626020893953E+02  -4.72E-02  1.609E+00  3.72E+00  0.00E+00  0.00E+00   beta=3.09E-03 dim=010 maxd=1.8E-02 dsplr=1.49455E+00 dsplp=1.49455E+00
     49    49  (MHGPS) GEOPT_SQNM  -1.71669676017792E+02  -4.37E-02  1.204E+00  3.02E+00  0.00E+00  0.00E+00   beta=3.40E-03 dim=010 maxd=1.1E-02 dsplr=1.51351E+00 dsplp=1.51351E+00
     50    50  (MHGPS) GEOPT_SQNM  -1.71716871855586E+02  -4.72E-02  1.025E+00  2.61E+00  0.00E+00  0.00E+00   beta=3.74E-03 dim=010 maxd=1.2E-02 dsplr=1.53480E+00 dsplp=1.53480E+00
     51    51  (MHGPS) GEOPT_SQNM  -1.71771921392024E+02  -5.50E-02  9.485E-01  2.49E+00  0.00E+00  0.00E+00   beta=4.11E-03 dim=010 maxd=1.5E-02 dsplr=1.56154E+00 dsplp=1.56154E+00
     52    52  (MHGPS) GEOPT_SQNM  -1.71838036757042E+02  -6.61E-02  1.054E+00  2.62E+00  0.00E+00  0.00E+00   beta=4.52E-03 dim=010 maxd=1.6E-02 dsplr=1.59386E+00 dsplp=1.59386E+00
     53    53  (MHGPS) GEOPT_SQNM  -1.71924994619326E+02  -8.70E-02  1.174E+00  3.04E+00  0.00E+00  0.00E+00   beta=4.97E-03 dim=010 maxd=1.6E-02 dsplr=1.63468E+00 dsplp=1.63468E+00
     54    54  (MHGPS) GEOPT_SQNM  -1.72019850822444E+02  -9.49E-02  1.586E+00  3.72E+00  0.00E+00  0.00E+00   beta=5.47E-03 dim=010 maxd=1.6E-02 dsplr=1.67413E+00 dsplp=1.67413E+00
     55    55  (MHGPS) GEOPT_SQNM  -1.72124482754765E+02  -1.05E-01  3.444E+00  6.05E+00  0.00E+00  0.00E+00   beta=6.02E-03 dim=010 maxd=2.1E-02 dsplr=1.72038E+00 dsplp=1.72038E+00
     56    56  (MHGPS) GEOPT_SQNM  -1.72454130428810E+02  -3.30E-01  6.047E+00  9.50E+00  0.00E+00  0.00E+00   beta=6.62E-03 dim=010 maxd=6.4E-02 dsplr=1.87661E+00 dsplp=1.87661E+00
     57    57  (MHGPS) GEOPT_SQNM  -1.72508907799736E+02  -5.48E-02  7.872E+00  1.22E+01  0.00E+00  0.00E+00   beta=5.63E-03 dim=010 maxd=2.1E-02 dsplr=1.93226E+00 dsplp=1.93226E+00
     58    58  (MHGPS) GEOPT_SQNM  -1.72587593582065E+02  -7.87E-02  6.133E+00  1.16E+01  0.00E+00  0.00E+00   beta=4.78E-03 dim=010 maxd=1.8E-02 dsplr=1.97631E+00 dsplp=1.97631E+00
     59    59  (MHGPS) GEOPT_SQNM  -1.72636728479321E+02  -4.91E-02  7.486E+00  1.24E+01  0.00E+00  0.00E+00   beta=4.07E-03 dim=010 maxd=1.4E-02 dsplr=2.01905E+00 dsplp=2.01905E+00
     60    60  (MHGPS) GEOPT_SQNM  -1.72738548986479E+02  -1.02E-01  5.967E+00  7.93E+00  0.00E+00  0.00E+00   beta=3.46E-03 dim=010 maxd=1.6E-02 dsplr=2.05538E+00 dsplp=2.05538E+00
     61    61  (MHGPS) GEOPT_SQNM  -1.72803851806366E+02  -6.53E-02  3.129E+00  4.53E+00  0.00E+00  0.00E+00   beta=2.94E-03 dim=010 maxd=1.2E-02 dsplr=2.08646E+00 dsplp=2.08646E+00
     62    62  (MHGPS) GEOPT_SQNM  -1.72833035034494E+02  -2.92E-02  1.396E+00  2.73E+00  0.00E+00  0.00E+00   beta=2.50E-03 dim=010 maxd=9.5E-03 dsplr=2.10977E+00 dsplp=2.10977E+00
     63    63  (MHGPS) GEOPT_SQNM  -1.72847877486277E+02  -1.48E-02  5.022E-01  1.34E+00  0.00E+00  0.00E+00   beta=2.12E-03 dim=010 maxd=5.9E-03 dsplr=2.12479E+00 dsplp=2.12479E+00
     64    64  (MHGPS) GEOPT_SQNM  -1.72859018161916E+02  -1.11E-02  3.871E-01  1.12E+00  0.00E+00  0.00E+00   beta=2.33E-03 dim=010 maxd=7.6E-03 dsplr=2.14120E+00 dsplp=2.14120E+00
     65    65  (MHGPS) GEOPT_SQNM  -1.72864670347353E+02  -5.65E-03  3.643E-01  8.94E-01  0.00E+00  0.00E+00   beta=2.57E-03 dim=010 maxd=4.9E-03 dsplr=2.15181E+00 dsplp=2.15181E+00
     66    66  (MHGPS) GEOPT_SQNM  -1.72869309385807E+02  -4.64E-03  2.705E-01  7.29E-01  0.00E+00  0.00E+00   beta=2.83E-03 dim=010 maxd=4.6E-03 dsplr=2.16092E+00 dsplp=2.16092E+00
     67    67  (MHGPS) GEOPT_SQNM  -1.72871838707974E+02  -2.53E-03  2.070E-01  5.30E-01  0.00E+00  0.00E+00   beta=3.11E-03 dim=010 maxd=2.3E-03 dsplr=2.16609E+00 dsplp=2.16609E+00
     68    68  (MHGPS) GEOPT_SQNM  -1.72873523042835E+02  -1.68E-03  1.664E-01  4.12E-01  0.00E+00  0.00E+00   beta=3.42E-03 dim=010 maxd=2.1E-03 dsplr=2.17046E+00 dsplp=2.17046E+00
     69    69  (MHGPS) GEOPT_SQNM  -1.72875586480413E+02  -2.06E-03  1.161E-01  3.48E-01  0.00E+00  0.00E+00   beta=3.76E-03 dim=010 maxd=5.6E-03 dsplr=2.18176E+00 dsplp=2.18176E+00
     70    70  (MHGPS) GEOPT_SQNM  -1.72876214886549E+02  -6.28E-04  1.960E-01  3.65E-01  0.00E+00  0.00E+00   beta=4.14E-03 dim=010 maxd=1.9E-03 dsplr=2.18552E+00 dsplp=2.18552E+00
     71    71  (MHGPS) GEOPT_SQNM  -1.72876670684144E+02  -4.56E-04  2.568E-01  4.11E-01  0.00E+00  0.00E+00   beta=4.55E-03 dim=010 maxd=1.4E-03 dsplr=2.18876E+00 dsplp=2.18876E+00
     72    72  (MHGPS) GEOPT_SQNM  -1.72877063177238E+02  -3.92E-04  1.467E-01  2.86E-01  0.00E+00  0.00E+00   beta=3.87E-03 dim=010 maxd=1.0E-03 dsplr=2.19132E+00 dsplp=2.19132E+00
     73    73  (MHGPS) GEOPT_SQNM  -1.72877323398183E+02  -2.60E-04  9.128E-02  1.90E-01  0.00E+00  0.00E+00   beta=3.29E-03 dim=010 maxd=9.3E-04 dsplr=2.19364E+00 dsplp=2.19364E+00
     74    74  (MHGPS) GEOPT_SQNM  -1.72877471531846E+02  -1.48E-04  7.738E-02  1.83E-01  0.00E+00  0.00E+00   beta=3.62E-03 dim=010 maxd=7.1E-04 dsplr=2.19546E+00 dsplp=2.19546E+00
     75    75  (MHGPS) GEOPT_SQNM  -1.72877585611487E+02  -1.14E-04  6.711E-02  1.34E-01  0.00E+00  0.00E+00   beta=3.98E-03 dim=010 maxd=6.8E-04 dsplr=2.19702E+00 dsplp=2.19702E+00
     76    76  (MHGPS) GEOPT_SQNM  -1.72877657445995E+02  -7.18E-05  4.227E-02  1.06E-01  0.00E+00  0.00E+00   beta=4.38E-03 dim=010 maxd=6.4E-04 dsplr=2.19844E+00 dsplp=2.19844E+00
     77    77  (MHGPS) GEOPT_SQNM  -1.72877696278996E+02  -3.88E-05  4.771E-02  8.89E-02  0.00E+00  0.00E+00   beta=3.72E-03 dim=010 maxd=5.2E-04 dsplr=2.19956E+00 dsplp=2.19956E+00
     78    78  (MHGPS) GEOPT_SQNM  -1.72877713443023E+02  -1.72E-05  3.676E-02  6.24E-02  0.00E+00  0.00E+00   beta=3.16E-03 dim=010 maxd=2.7E-04 dsplr=2.20012E+00 dsplp=2.20012E+00
     79    79  (MHGPS) GEOPT_SQNM  -1.72877723842173E+02  -1.04E-05  1.219E-02  3.76E-02  0.00E+00  0.00E+00   beta=2.69E-03 dim=010 maxd=2.2E-04 dsplr=2.20057E+00 dsplp=2.20057E+00
     80    80  (MHGPS) GEOPT_SQNM  -1.72877729238443E+02  -5.40E-06  6.733E-03  2.69E-02  0.00E+00  0.00E+00   beta=2.96E-03 dim=010 maxd=1.1E-04 dsplr=2.20085E+00 dsplp=2.20085E+00
     81    81  (MHGPS) GEOPT_SQNM  -1.72877732469739E+02  -3.23E-06  5.217E-03  1.87E-02  0.00E+00  0.00E+00   beta=3.25E-03 dim=010 maxd=1.1E-04 dsplr=2.20110E+00 dsplp=2.20110E+00
     82    82  (MHGPS) GEOPT_SQNM  -1.72877734025932E+02  -1.56E-06  6.540E-03  1.57E-02  0.00E+00  0.00E+00   beta=3.58E-03 dim=010 maxd=6.3E-05 dsplr=2.20127E+00 dsplp=2.20127E+00
     83    83  (MHGPS) GEOPT_SQNM  -1.72877734942358E+02  -9.16E-07  7.874E-03  1.50E-02  0.00E+00  0.00E+00   beta=3.93E-03 dim=010 maxd=3.5E-05 dsplr=2.20139E+00 dsplp=2.20139E+00
     84    84  (MHGPS) GEOPT_SQNM  -1.72877735444604E+02  -5.02E-07  9.270E-03  1.67E-02  0.00E+00  0.00E+00   beta=4.33E-03 dim=010 maxd=2.9E-05 dsplr=2.20148E+00 dsplp=2.20148E+00
     85    85  (MHGPS) GEOPT_SQNM  -1.72877735829297E+02  -3.85E-07  4.660E-03  1.12E-02  0.00E+00  0.00E+00   beta=3.68E-03 dim=010 maxd=2.1E-05 dsplr=2.20155E+00 dsplp=2.20155E+00
     86    86  (MHGPS) GEOPT_SQNM  -1.72877736092993E+02  -2.64E-07  1.802E-03  5.32E-03  0.00E+00  0.00E+00   beta=3.13E-03 dim=010 maxd=2.0E-05 dsplr=2.20161E+00 dsplp=2.20161E+00
     87    87  (MHGPS) GEOPT_SQNM  -1.72877736242960E+02  -1.50E-07  1.312E-03  3.72E-03  0.00E+00  0.00E+00   beta=3.44E-03 dim=010 maxd=1.8E-05 dsplr=2.20166E+00 dsplp=2.20166E+00
     88    88  (MHGPS) GEOPT_SQNM  -1.72877736328147E+02  -8.52E-08  1.343E-03  3.14E-03  0.00E+00  0.00E+00   beta=3.78E-03 dim=010 maxd=1.5E-05 dsplr=2.20171E+00 dsplp=2.20171E+00
     89    89  (MHGPS) GEOPT_SQNM  -1.72877736364218E+02  -3.61E-08  2.070E-03  3.28E-03  0.00E+00  0.00E+00   beta=4.16E-03 dim=010 maxd=8.8E-06 dsplr=2.20174E+00 dsplp=2.20174E+00
     90    90  (MHGPS) GEOPT_SQNM  -1.72877736391313E+02  -2.71E-08  9.670E-04  1.87E-03  0.00E+00  0.00E+00   beta=3.54E-03 dim=010 maxd=6.8E-06 dsplr=2.20176E+00 dsplp=2.20176E+00
     91    91  (MHGPS) GEOPT_SQNM  -1.72877736400728E+02  -9.41E-09  6.435E-04  1.27E-03  0.00E+00  0.00E+00   beta=3.01E-03 dim=010 maxd=3.7E-06 dsplr=2.20178E+00 dsplp=2.20178E+00
     92    92  (MHGPS) GEOPT_SQNM  -1.72877736405202E+02  -4.47E-09  5.002E-04  9.28E-04  0.00E+00  0.00E+00   beta=3.31E-03 dim=010 maxd=2.5E-06 dsplr=2.20179E+00 dsplp=2.20179E+00
     93    93  (MHGPS) GEOPT_SQNM  -1.72877736407433E+02  -2.23E-09  1.421E-04  5.16E-04  0.00E+00  0.00E+00   beta=2.81E-03 dim=010 maxd=1.6E-06 dsplr=2.20179E+00 dsplp=2.20179E+00
     94    94  (MHGPS) GEOPT_SQNM  -1.72877736408793E+02  -1.36E-09  1.327E-04  4.31E-04  0.00E+00  0.00E+00   beta=3.09E-03 dim=010 maxd=1.6E-06 dsplr=2.20180E+00 dsplp=2.20180E+00
     95    95  (MHGPS) GEOPT_SQNM  -1.72877736409782E+02  -9.89E-10  1.085E-04  3.35E-04  0.00E+00  0.00E+00   beta=3.40E-03 dim=010 maxd=1.4E-06 dsplr=2.20180E+00 dsplp=2.20180E+00
  (MHGPS) SQNM converged at iteration  95. Needed energy calls:  95
  (MHGPS)ediff, fpdist  MS  3.2211256E+00  3.3265313E-02
    #........................................................... (MHGPS) Relax from right side
  #(MHGPS) COUNT  IT  GEOPT_METHOD  ENERGY                 DIFF       FMAX       FNRM      FRAC*FLUC FLUC      ADD. INFO
      0     0  (MHGPS) GEOPT_SQNM  -1.69656620251193E+02   0.00E+00  6.997E-03  1.21E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=0.0E+00 dsplr=0.00000E+00 dsplp=0.00000E+00
      1     1  (MHGPS) GEOPT_SQNM  -1.69656620397237E+02  -1.46E-07  7.057E-03  1.21E-02  0.00E+00  0.00E+00   beta=1.00E-03 dim=000 maxd=7.0E-06 dsplr=1.21114E-05 dsplp=1.21114E-05
      2     2  (MHGPS) GEOPT_SQNM  -1.69656621846451E+02  -1.45E-06  7.678E-03  1.65E-02  0.00E+00  0.00E+00   beta=1.10E-03 dim=001 maxd=7.2E-05 dsplr=1.37212E-04 dsplp=1.37212E-04
      3     3  (MHGPS) GEOPT_SQNM  -1.69656623387980E+02  -1.54E-06  8.267E-03  1.75E-02  0.00E+00  0.00E+00   beta=1.21E-03 dim=001 maxd=7.1E-05 dsplr=2.58176E-04 dsplp=2.58176E-04
      4     4  (MHGPS) GEOPT_SQNM  -1.69656632190143E+02  -8.80E-06  1.118E-02  2.31E-02  0.00E+00  0.00E+00   beta=1.33E-03 dim=002 maxd=3.5E-04 dsplr=8.60201E-04 dsplp=8.60201E-04
      5     5  (MHGPS) GEOPT_SQNM  -1.69656645894689E+02  -1.37E-05  1.487E-02  3.24E-02  0.00E+00  0.00E+00   beta=1.46E-03 dim=002 maxd=4.4E-04 dsplr=1.60637E-03 dsplp=1.60637E-03
      6     6  (MHGPS) GEOPT_SQNM  -1.69656683123691E+02  -3.72E-05  2.198E-02  4.64E-02  0.00E+00  0.00E+00   beta=1.61E-03 dim=003 maxd=8.3E-04 dsplr=3.00147E-03 dsplp=3.00147E-03
      7     7  (MHGPS) GEOPT_SQNM  -1.69656760207343E+02  -7.71E-05  3.166E-02  5.96E-02  0.00E+00  0.00E+00   beta=1.77E-03 dim=003 maxd=1.2E-03 dsplr=5.03379E-03 dsplp=5.03379E-03
      8     8  (MHGPS) GEOPT_SQNM  -1.69656956879267E+02  -1.97E-04  4.760E-02  9.07E-02  0.00E+00  0.00E+00   beta=1.95E-03 dim=003 maxd=2.1E-03 dsplr=8.51280E-03 dsplp=8.51280E-03
      9     9  (MHGPS) GEOPT_SQNM  -1.69657541019740E+02  -5.84E-04  7.373E-02  1.49E-01  0.00E+00  0.00E+00   beta=2.14E-03 dim=004 maxd=3.8E-03 dsplr=1.48748E-02 dsplp=1.48748E-02
     10    10  (MHGPS) GEOPT_SQNM  -1.69659119265596E+02  -1.58E-03  1.205E-01  2.30E-01  0.00E+00  0.00E+00   beta=2.36E-03 dim=004 maxd=6.3E-03 dsplr=2.52996E-02 dsplp=2.52996E-02
     11    11  (MHGPS) GEOPT_SQNM  -1.69663516246886E+02  -4.40E-03  2.152E-01  3.92E-01  0.00E+00  0.00E+00   beta=2.59E-03 dim=004 maxd=1.1E-02 dsplr=4.27550E-02 dsplp=4.27550E-02
     12    12  (MHGPS) GEOPT_SQNM  -1.69675338357364E+02  -1.18E-02  3.919E-01  6.68E-01  0.00E+00  0.00E+00   beta=2.85E-03 dim=004 maxd=1.7E-02 dsplr=7.09701E-02 dsplp=7.09701E-02
     13    13  (MHGPS) GEOPT_SQNM  -1.69706098650356E+02  -3.08E-02  7.246E-01  1.19E+00  0.00E+00  0.00E+00   beta=3.14E-03 dim=003 maxd=2.7E-02 dsplr=1.15828E-01 dsplp=1.15828E-01
     14    14  (MHGPS) GEOPT_SQNM  -1.69740777008502E+02  -3.47E-02  7.057E-01  1.49E+00  0.00E+00  0.00E+00   beta=3.45E-03 dim=004 maxd=1.8E-02 dsplr=1.48571E-01 dsplp=1.48571E-01
     15    15  (MHGPS) GEOPT_SQNM  -1.69892265675857E+02  -1.51E-01  1.771E+00  2.86E+00  0.00E+00  0.00E+00   beta=3.80E-03 dim=004 maxd=5.9E-02 dsplr=2.49330E-01 dsplp=2.49330E-01
     16    16  (MHGPS) GEOPT_SQNM  -1.70023480141517E+02  -1.31E-01  1.780E+00  3.09E+00  0.00E+00  0.00E+00   beta=4.18E-03 dim=004 maxd=3.3E-02 dsplr=3.06560E-01 dsplp=3.06560E-01
     17    17  (MHGPS) GEOPT_SQNM  -1.70440958224213E+02  -4.17E-01  2.492E+00  6.18E+00  0.00E+00  0.00E+00   beta=4.59E-03 dim=004 maxd=1.0E-01 dsplr=4.88923E-01 dsplp=4.88923E-01
     18    18  (MHGPS) GEOPT_SQNM  -1.70637030041837E+02  -1.96E-01  3.043E+00  7.32E+00  0.00E+00  0.00E+00   beta=5.05E-03 dim=004 maxd=5.3E-02 dsplr=5.81005E-01 dsplp=5.81005E-01
     19    19  (MHGPS) GEOPT_SQNM  -1.70726701066234E+02  -8.97E-02  1.736E+00  4.89E+00  0.00E+00  0.00E+00   beta=4.30E-03 dim=005 maxd=1.0E-02 dsplr=6.06208E-01 dsplp=6.06208E-01
     20    20  (MHGPS) GEOPT_SQNM  -1.70775044074117E+02  -4.83E-02  2.705E+00  4.89E+00  0.00E+00  0.00E+00   beta=3.65E-03 dim=006 maxd=9.4E-03 dsplr=6.28416E-01 dsplp=6.28416E-01
     21    21  (MHGPS) GEOPT_SQNM  -1.70827450961941E+02  -5.24E-02  2.027E+00  3.89E+00  0.00E+00  0.00E+00   beta=3.10E-03 dim=007 maxd=1.1E-02 dsplr=6.51167E-01 dsplp=6.51167E-01
     22    22  (MHGPS) GEOPT_SQNM  -1.70871182949508E+02  -4.37E-02  1.008E+00  2.31E+00  0.00E+00  0.00E+00   beta=3.41E-03 dim=008 maxd=1.1E-02 dsplr=6.72051E-01 dsplp=6.72051E-01
     23    23  (MHGPS) GEOPT_SQNM  -1.70902101865772E+02  -3.09E-02  7.920E-01  1.64E+00  0.00E+00  0.00E+00   beta=3.76E-03 dim=009 maxd=1.1E-02 dsplr=6.90888E-01 dsplp=6.90888E-01
     24    24  (MHGPS) GEOPT_SQNM  -1.70922103119775E+02  -2.00E-02  6.303E-01  1.40E+00  0.00E+00  0.00E+00   beta=4.13E-03 dim=010 maxd=8.3E-03 dsplr=7.05514E-01 dsplp=7.05514E-01
     25    25  (MHGPS) GEOPT_SQNM  -1.70934247101506E+02  -1.21E-02  6.580E-01  1.44E+00  0.00E+00  0.00E+00   beta=4.54E-03 dim=010 maxd=5.8E-03 dsplr=7.16225E-01 dsplp=7.16225E-01
     26    26  (MHGPS) GEOPT_SQNM  -1.70954893675773E+02  -2.06E-02  9.814E-01  1.62E+00  0.00E+00  0.00E+00   beta=5.00E-03 dim=010 maxd=1.6E-02 dsplr=7.45476E-01 dsplp=7.45476E-01
     27    27  (MHGPS) GEOPT_SQNM  -1.70963142159339E+02  -8.25E-03  3.332E-01  9.04E-01  0.00E+00  0.00E+00   beta=4.25E-03 dim=010 maxd=5.3E-03 dsplr=7.56792E-01 dsplp=7.56792E-01
     28    28  (MHGPS) GEOPT_SQNM  -1.70968655753465E+02  -5.51E-03  4.192E-01  8.26E-01  0.00E+00  0.00E+00   beta=4.67E-03 dim=010 maxd=6.2E-03 dsplr=7.70417E-01 dsplp=7.70417E-01
     29    29  (MHGPS) GEOPT_SQNM  -1.70970082277750E+02  -1.43E-03  1.009E+00  1.55E+00  0.00E+00  0.00E+00   beta=5.14E-03 dim=010 maxd=4.1E-03 dsplr=7.80553E-01 dsplp=7.80553E-01
     30    30  (MHGPS) GEOPT_SQNM  -1.70971796219361E+02  -1.71E-03  7.529E-01  1.24E+00  0.00E+00  0.00E+00   beta=4.37E-03 dim=010 maxd=2.2E-03 dsplr=7.86803E-01 dsplp=7.86803E-01
     31    31  (MHGPS) GEOPT_SQNM  -1.70972983968079E+02  -1.19E-03  4.090E-01  8.24E-01  0.00E+00  0.00E+00   beta=3.71E-03 dim=010 maxd=1.7E-03 dsplr=7.91747E-01 dsplp=7.91747E-01
     32    32  (MHGPS) GEOPT_SQNM  -1.70974025322153E+02  -1.04E-03  8.963E-02  2.60E-01  0.00E+00  0.00E+00   beta=3.16E-03 dim=010 maxd=1.7E-03 dsplr=7.95549E-01 dsplp=7.95549E-01
     33    33  (MHGPS) GEOPT_SQNM  -1.70974428609563E+02  -4.03E-04  9.489E-02  2.34E-01  0.00E+00  0.00E+00   beta=3.47E-03 dim=010 maxd=1.6E-03 dsplr=7.98816E-01 dsplp=7.98816E-01
     34    34  (MHGPS) GEOPT_SQNM  -1.70974669216066E+02  -2.41E-04  1.452E-01  2.47E-01  0.00E+00  0.00E+00   beta=3.82E-03 dim=010 maxd=1.2E-03 dsplr=8.01155E-01 dsplp=8.01155E-01
     35    35  (MHGPS) GEOPT_SQNM  -1.70974875638479E+02  -2.06E-04  6.754E-02  1.60E-01  0.00E+00  0.00E+00   beta=3.25E-03 dim=010 maxd=1.1E-03 dsplr=8.03300E-01 dsplp=8.03300E-01
     36    36  (MHGPS) GEOPT_SQNM  -1.70975047190701E+02  -1.72E-04  5.999E-02  1.40E-01  0.00E+00  0.00E+00   beta=3.57E-03 dim=010 maxd=1.2E-03 dsplr=8.05450E-01 dsplp=8.05450E-01
     37    37  (MHGPS) GEOPT_SQNM  -1.70975166215460E+02  -1.19E-04  5.237E-02  1.33E-01  0.00E+00  0.00E+00   beta=3.93E-03 dim=010 maxd=1.1E-03 dsplr=8.07266E-01 dsplp=8.07266E-01
     38    38  (MHGPS) GEOPT_SQNM  -1.70975236065500E+02  -6.99E-05  9.187E-02  1.57E-01  0.00E+00  0.00E+00   beta=4.32E-03 dim=010 maxd=7.2E-04 dsplr=8.08429E-01 dsplp=8.08429E-01
     39    39  (MHGPS) GEOPT_SQNM  -1.70975321792419E+02  -8.57E-05  5.021E-02  1.09E-01  0.00E+00  0.00E+00   beta=3.67E-03 dim=010 maxd=1.0E-03 dsplr=8.09991E-01 dsplp=8.09991E-01
     40    40  (MHGPS) GEOPT_SQNM  -1.70975381438950E+02  -5.96E-05  3.708E-02  9.41E-02  0.00E+00  0.00E+00   beta=4.04E-03 dim=010 maxd=8.1E-04 dsplr=8.11213E-01 dsplp=8.11213E-01
     41    41  (MHGPS) GEOPT_SQNM  -1.70975438260684E+02  -5.68E-05  4.063E-02  9.18E-02  0.00E+00  0.00E+00   beta=4.45E-03 dim=010 maxd=9.2E-04 dsplr=8.12579E-01 dsplp=8.12579E-01
     42    42  (MHGPS) GEOPT_SQNM  -1.70975467023932E+02  -2.88E-05  9.520E-02  1.46E-01  0.00E+00  0.00E+00   beta=4.89E-03 dim=010 maxd=7.3E-04 dsplr=8.13619E-01 dsplp=8.13619E-01
     43    43  (MHGPS) GEOPT_SQNM  -1.70975503629568E+02  -3.66E-05  7.558E-02  1.08E-01  0.00E+00  0.00E+00   beta=4.16E-03 dim=010 maxd=7.4E-04 dsplr=8.14627E-01 dsplp=8.14627E-01
     44    44  (MHGPS) GEOPT_SQNM  -1.70975536295254E+02  -3.27E-05  1.697E-02  4.91E-02  0.00E+00  0.00E+00   beta=3.53E-03 dim=010 maxd=8.2E-04 dsplr=8.15769E-01 dsplp=8.15769E-01
     45    45  (MHGPS) GEOPT_SQNM  -1.70975551436651E+02  -1.51E-05  1.332E-02  3.67E-02  0.00E+00  0.00E+00   beta=3.89E-03 dim=010 maxd=6.5E-04 dsplr=8.16605E-01 dsplp=8.16605E-01
     46    46  (MHGPS) GEOPT_SQNM  -1.70975560402615E+02  -8.97E-06  7.767E-03  2.75E-02  0.00E+00  0.00E+00   beta=4.28E-03 dim=010 maxd=5.1E-04 dsplr=8.17265E-01 dsplp=8.17265E-01
     47    47  (MHGPS) GEOPT_SQNM  -1.70975565412200E+02  -5.01E-06  8.080E-03  2.33E-02  0.00E+00  0.00E+00   beta=4.70E-03 dim=010 maxd=3.1E-04 dsplr=8.17701E-01 dsplp=8.17701E-01
     48    48  (MHGPS) GEOPT_SQNM  -1.70975567749079E+02  -2.34E-06  1.716E-02  2.79E-02  0.00E+00  0.00E+00   beta=5.17E-03 dim=010 maxd=1.5E-04 dsplr=8.17954E-01 dsplp=8.17954E-01
     49    49  (MHGPS) GEOPT_SQNM  -1.70975569088243E+02  -1.34E-06  2.574E-02  3.52E-02  0.00E+00  0.00E+00   beta=4.40E-03 dim=010 maxd=6.6E-05 dsplr=8.18149E-01 dsplp=8.18149E-01
     50    50  (MHGPS) GEOPT_SQNM  -1.70975570443185E+02  -1.35E-06  1.445E-02  2.09E-02  0.00E+00  0.00E+00   beta=3.74E-03 dim=010 maxd=4.7E-05 dsplr=8.18292E-01 dsplp=8.18292E-01
     51    51  (MHGPS) GEOPT_SQNM  -1.70975571303284E+02  -8.60E-07  3.054E-03  8.26E-03  0.00E+00  0.00E+00   beta=3.18E-03 dim=010 maxd=4.4E-05 dsplr=8.18414E-01 dsplp=8.18414E-01
     52    52  (MHGPS) GEOPT_SQNM  -1.70975571715240E+02  -4.12E-07  1.870E-03  5.86E-03  0.00E+00  0.00E+00   beta=3.49E-03 dim=010 maxd=3.9E-05 dsplr=8.18513E-01 dsplp=8.18513E-01
     53    53  (MHGPS) GEOPT_SQNM  -1.70975571919495E+02  -2.04E-07  1.376E-03  4.81E-03  0.00E+00  0.00E+00   beta=3.84E-03 dim=010 maxd=2.7E-05 dsplr=8.18583E-01 dsplp=8.18583E-01
     54    54  (MHGPS) GEOPT_SQNM  -1.70975572033310E+02  -1.14E-07  2.111E-03  4.97E-03  0.00E+00  0.00E+00   beta=4.23E-03 dim=010 maxd=1.9E-05 dsplr=8.18631E-01 dsplp=8.18631E-01
     55    55  (MHGPS) GEOPT_SQNM  -1.70975572094418E+02  -6.11E-08  3.024E-03  5.40E-03  0.00E+00  0.00E+00   beta=4.65E-03 dim=010 maxd=1.2E-05 dsplr=8.18664E-01 dsplp=8.18664E-01
     56    56  (MHGPS) GEOPT_SQNM  -1.70975572137438E+02  -4.30E-08  3.820E-03  5.81E-03  0.00E+00  0.00E+00   beta=3.95E-03 dim=010 maxd=1.1E-05 dsplr=8.18695E-01 dsplp=8.18695E-01
     57    57  (MHGPS) GEOPT_SQNM  -1.70975572173784E+02  -3.63E-08  2.306E-03  3.79E-03  0.00E+00  0.00E+00   beta=3.36E-03 dim=010 maxd=9.0E-06 dsplr=8.18719E-01 dsplp=8.18719E-01
     58    58  (MHGPS) GEOPT_SQNM  -1.70975572195389E+02  -2.16E-08  6.168E-04  1.64E-03  0.00E+00  0.00E+00   beta=2.86E-03 dim=010 maxd=7.9E-06 dsplr=8.18737E-01 dsplp=8.18737E-01
     59    59  (MHGPS) GEOPT_SQNM  -1.70975572205307E+02  -9.92E-09  3.569E-04  1.11E-03  0.00E+00  0.00E+00   beta=2.43E-03 dim=010 maxd=7.8E-06 dsplr=8.18754E-01 dsplp=8.18754E-01
     60    60  (MHGPS) GEOPT_SQNM  -1.70975572210722E+02  -5.42E-09  2.328E-04  8.91E-04  0.00E+00  0.00E+00   beta=2.67E-03 dim=010 maxd=4.0E-06 dsplr=8.18764E-01 dsplp=8.18764E-01
     61    61  (MHGPS) GEOPT_SQNM  -1.70975572213791E+02  -3.07E-09  2.339E-04  7.00E-04  0.00E+00  0.00E+00   beta=2.94E-03 dim=010 maxd=2.7E-06 dsplr=8.18772E-01 dsplp=8.18772E-01
     62    62  (MHGPS) GEOPT_SQNM  -1.70975572215428E+02  -1.64E-09  2.106E-04  6.18E-04  0.00E+00  0.00E+00   beta=3.23E-03 dim=010 maxd=1.7E-06 dsplr=8.18776E-01 dsplp=8.18776E-01
     63    63  (MHGPS) GEOPT_SQNM  -1.70975572216959E+02  -1.53E-09  2.695E-04  5.52E-04  0.00E+00  0.00E+00   beta=3.55E-03 dim=010 maxd=1.5E-06 dsplr=8.18781E-01 dsplp=8.18781E-01
  (MHGPS) SQNM converged at iteration  63. Needed energy calls:  63
  (MHGPS)ediff, fpdist  MS  1.3189614E+00  1.7485619E-02
  (MHGPS)ediff, fpdist  MM  7.2711259E-10  3.6236858E-07
  (MHGPS)ediff, fpdist  MM  2.0407924E-09  1.0516914E-06
  (MHGPS)ediff, fpdist  MM  1.9021642E+00  2.9728504E-02
  (MHGPS)ediff, fpdist  MM  1.9021642E+00  2.9728154E-02
  (MHGPS) connection check connected-1.72877736409782045E+02 -1.70975572216959193E+02
   (MHGPS) succesfully connected, intermediate transition states:  3
   (MHGPS) Total calls to energy and forces:  1931
   (MHGPS) Run finished at               : 2017-01-20 17:40:27.515

Other examples

  1. J. Chem. Phys. 140, 214102 (2014)
  2. J. Chem. Phys. 142, 034112 (2015)
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