Element = Lattice = Model = Element: Pd
Lattice: hcp
Model: EAM_Dynamo_HaleWongZimmerman_2008PairHybrid_PdAgH__MO_104806802344_005
Computed model cutoff of 5.363363332748426 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pd

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.625 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 = 1.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.75 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 = 1.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -15.497077
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.738961674273014, total energy = -15.497077454435601

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: -15.497077
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.738961721956731, total energy = -15.497077454435658

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: -15.497077
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.738961686473341, total energy = -15.497077454435614

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: -15.497077
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.738961721002125, total energy = -15.497077454435688

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: -15.497077
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7389617070555676, total energy = -15.49707745443566

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: -15.497077
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.738961698487401, total energy = -15.497077454435644

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: -15.497077
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7389617358276164, total energy = -15.497077454435614

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: -15.497077
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.738961736601777, total energy = -15.497077454435654

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: -15.497077
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.738961696322076, total energy = -15.49707745443565

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: -15.497077
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7389617043081667, total energy = -15.497077454435622

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: -15.497077
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.738961744471453, total energy = -15.497077454435612

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: -15.497077
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7389616981148714, total energy = -15.497077454435653

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: -15.497077
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7389617323176925, total energy = -15.497077454435633

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: -15.497077
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.738961714925243, total energy = -15.497077454435638

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: -15.497077
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7389617130160304, total energy = -15.497077454435649

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: -15.497077
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.738961693830788, total energy = -15.49707745443562

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: -15.497077
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7389617091044753, total energy = -15.497077454435622

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: -15.497077
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7389617219567284, total energy = -15.49707745443562

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: -15.497077
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7389617353212103, total energy = -15.497077454435626

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: -15.497077
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7389617133885604, total energy = -15.497077454435617

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: -15.497077
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.738961725437548, total energy = -15.497077454435624

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: -15.497077
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7389616878412157, total energy = -15.497077454435587

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: -15.497077
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7389617152512056, total energy = -15.497077454435638

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: -15.497077
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7389617176726473, total energy = -15.497077454435626

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 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 = 4.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.0 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 = 5.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.125 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 = 5.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.25 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 = 5.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.375 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 = 5.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.73896172] Angstroms and c = 3.5781646087842485 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.520884
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.711067182980127, c = 4.670321814929329, total energy = -15.520883901243435

Attempting to perform relaxation using initial lattice constant guess of a = [2.73896172] Angstroms and c = 3.801799896833264 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.520884
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.7110671893267737, c = 4.67032183679452, total energy = -15.520883901243451

Attempting to perform relaxation using initial lattice constant guess of a = [2.73896172] Angstroms and c = 4.02543518488228 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.520884
         Iterations: 79
         Function evaluations: 171
Results for this minimization:
  a = 2.7110671770666004, c = 4.670321909888588, total energy = -15.52088390124343

Attempting to perform relaxation using initial lattice constant guess of a = [2.73896172] Angstroms and c = 4.249070472931296 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.498557
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.7487893486908677, c = 4.431808370625312, total energy = -15.498557423644412

Attempting to perform relaxation using initial lattice constant guess of a = [2.73896172] Angstroms and c = 4.472705760980311 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.520884
         Iterations: 66
         Function evaluations: 140
Results for this minimization:
  a = 2.711067176484861, c = 4.670321869016243, total energy = -15.520883901243433

Attempting to perform relaxation using initial lattice constant guess of a = [2.73896172] Angstroms and c = 4.696341049029327 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.520884
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.711067159012002, c = 4.670321931443926, total energy = -15.520883901243426

Attempting to perform relaxation using initial lattice constant guess of a = [2.73896172] Angstroms and c = 4.919976337078342 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.520884
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.7110671676605635, c = 4.670321847754986, total energy = -15.52088390124344

Attempting to perform relaxation using initial lattice constant guess of a = [2.73896172] Angstroms and c = 5.143611625127358 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.520884
         Iterations: 71
         Function evaluations: 157
Results for this minimization:
  a = 2.7110671580905263, c = 4.670321868212208, total energy = -15.520883901243435

Attempting to perform relaxation using initial lattice constant guess of a = [2.73896172] Angstroms and c = 5.367246913176373 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.520884
         Iterations: 82
         Function evaluations: 171
Results for this minimization:
  a = 2.711067179635675, c = 4.670321872595068, total energy = -15.520883901243447

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

 Final lattice Constants:
   a = 2.7110671893267737 Angstroms, c = 4.67032183679452 Angstroms, c/a = 1.722688

 Total energy: -15.520883901243451 eV

 Cohesive energy: -3.8802209753108627 eV/atom

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