Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: EAM_Dynamo_Ackland_1992_Ti__MO_748534961139_005
Computed model cutoff of 5.090698042809982 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ti

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.941302781552079, total energy = -19.398771578798222

Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.941302781552079, total energy = -19.39877157879823

Attempting to perform relaxation using initial lattice constant guess of a = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9413027584552767, total energy = -19.398771578798215

Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.941302750259638, total energy = -19.39877157879818

Attempting to perform relaxation using initial lattice constant guess of a = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9413027882576017, total energy = -19.3987715787982

Attempting to perform relaxation using initial lattice constant guess of a = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.941302798595281, total energy = -19.398771578798197

Attempting to perform relaxation using initial lattice constant guess of a = 2.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9413027884671465, total energy = -19.398771578798208

Attempting to perform relaxation using initial lattice constant guess of a = 2.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.941302791796623, total energy = -19.3987715787982

Attempting to perform relaxation using initial lattice constant guess of a = 2.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.941302769817412, total energy = -19.398771578798215

Attempting to perform relaxation using initial lattice constant guess of a = 2.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9413028003415094, total energy = -19.398771578798197

Attempting to perform relaxation using initial lattice constant guess of a = 2.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.941302773728967, total energy = -19.398771578798204

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.9413027756847443, total energy = -19.398771578798222

Attempting to perform relaxation using initial lattice constant guess of a = 3.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9413027927279467, total energy = -19.398771578798204

Attempting to perform relaxation using initial lattice constant guess of a = 3.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.941302773033385, total energy = -19.3987715787982

Attempting to perform relaxation using initial lattice constant guess of a = 3.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.941302810609341, total energy = -19.398771578798176

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.941302812800859, total energy = -19.398771578798186

Attempting to perform relaxation using initial lattice constant guess of a = 3.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.941302758455276, total energy = -19.398771578798186

Attempting to perform relaxation using initial lattice constant guess of a = 3.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.941302796453237, total energy = -19.398771578798193

Attempting to perform relaxation using initial lattice constant guess of a = 3.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.941302760038525, total energy = -19.39877157879819

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9413027861155547, total energy = -19.398771578798197

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9413027882575977, total energy = -19.398771578798215

Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9413027737289683, total energy = -19.398771578798208

Attempting to perform relaxation using initial lattice constant guess of a = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.941302784741853, total energy = -19.398771578798208

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.941302782332059, total energy = -19.398771578798222

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9413027940725396, total energy = -19.3987715787982

Attempting to perform relaxation using initial lattice constant guess of a = 4.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9413027832692014, total energy = -19.398771578798208

Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9413027882576, total energy = -19.398771578798208

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9413027523813033, total energy = -19.39877157879821

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9413027772679925, total energy = -19.398771578798232

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.398772
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.941302789089963, total energy = -19.398771578798232

==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.94130278] Angstroms and c = 3.8425018577800656 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.411305
         Iterations: 74
         Function evaluations: 152
Results for this minimization:
  a = 2.96659843143028, c = 4.722420462434094, total energy = -19.41130500916569

Attempting to perform relaxation using initial lattice constant guess of a = [2.94130278] Angstroms and c = 4.08265822389132 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.411305
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.9665984662137443, c = 4.722420373668409, total energy = -19.411305009165677

Attempting to perform relaxation using initial lattice constant guess of a = [2.94130278] Angstroms and c = 4.322814590002574 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.411305
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.9665984272410713, c = 4.7224204745231235, total energy = -19.41130500916568

Attempting to perform relaxation using initial lattice constant guess of a = [2.94130278] Angstroms and c = 4.562970956113829 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.411305
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.96659844987981, c = 4.722420435898703, total energy = -19.411305009165677

Attempting to perform relaxation using initial lattice constant guess of a = [2.94130278] Angstroms and c = 4.803127322225084 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.411305
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.96659844507516, c = 4.722420394164737, total energy = -19.411305009165673

Attempting to perform relaxation using initial lattice constant guess of a = [2.94130278] Angstroms and c = 5.043283688336338 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.411305
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 2.9665984740748748, c = 4.722420399941139, total energy = -19.411305009165666

Attempting to perform relaxation using initial lattice constant guess of a = [2.94130278] Angstroms and c = 5.283440054447592 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.411305
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.9665984519120725, c = 4.7224203994684455, total energy = -19.41130500916567

Attempting to perform relaxation using initial lattice constant guess of a = [2.94130278] Angstroms and c = 5.523596420558847 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.411305
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.9665984571866018, c = 4.7224204702965915, total energy = -19.411305009165666

Attempting to perform relaxation using initial lattice constant guess of a = [2.94130278] Angstroms and c = 5.763752786670102 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.411305
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 2.9665984492919906, c = 4.72242045152373, total energy = -19.411305009165666

==============================================================================
==============================================================================
 Finished with optimization
==============================================================================
==============================================================================

 Final lattice Constants:
   a = 2.96659843143028 Angstroms, c = 4.722420462434094 Angstroms, c/a = 1.591864

 Total energy: -19.41130500916569 eV

 Cohesive energy: -4.852826252291423 eV/atom

==============================================================================
==============================================================================