Element = Lattice = Model = Element: Au
Lattice: hcp
Model: EAM_Dynamo_GrocholaRusso_2005_Au__MO_557267801129_001
Computed model cutoff of 5.4996361385285955 Angstroms
Computed isolated atomic energy of 0.0 eV for species Au

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

Optimization terminated successfully.
         Current function value: -15.658659
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.8766432434320475, total energy = -15.658659070121814

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

Optimization terminated successfully.
         Current function value: -15.658659
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.876643238216638, total energy = -15.65865907012181

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

Optimization terminated successfully.
         Current function value: -15.658659
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.876643242314458, total energy = -15.658659070121832

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

Optimization terminated successfully.
         Current function value: -15.658659
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.876643246691681, total energy = -15.658659070121802

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: -15.658659
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8766432382166407, total energy = -15.65865907012181

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: -15.658659
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.876643230021002, total energy = -15.658659070121795

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: -15.658659
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8766432227566843, total energy = -15.658659070121784

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: -15.658659
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8766432408010587, total energy = -15.658659070121809

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: -15.658659
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.8766432434320475, total energy = -15.658659070121802

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: -15.658659
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.876643240847626, total energy = -15.658659070121791

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: -15.658659
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.876643238216639, total energy = -15.65865907012181

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: -15.658659
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8766432302421876, total energy = -15.658659070121793

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: -15.658659
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.876643233001232, total energy = -15.6586590701218

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: -15.658659
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.876643216074444, total energy = -15.658659070121788

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: -15.658659
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.876643241825514, total energy = -15.6586590701218

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: -15.658659
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.8766432029311546, total energy = -15.658659070121777

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: -15.658659
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8766432382166385, total energy = -15.65865907012181

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: -15.658659
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.876643240379053, total energy = -15.65865907012181

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: -15.658659
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.876643230021, total energy = -15.658659070121791

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: -15.658659
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8766432382166385, total energy = -15.658659070121809

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: -15.658659
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8766432227566834, total energy = -15.658659070121784

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: -15.658659
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8766432518605134, total energy = -15.65865907012178

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: -15.658659
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8766432408010587, total energy = -15.658659070121816

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: -15.658659
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8766432083211826, total energy = -15.658659070121773

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: -15.658659
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.876643243432044, total energy = -15.658659070121795

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: -15.658659
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.876643260009588, total energy = -15.658659070121779

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: -15.658659
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.87664323095232, total energy = -15.658659070121802

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: -15.658659
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8766432427219115, total energy = -15.658659070121788

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: -15.658659
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8766432382166345, total energy = -15.658659070121793

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: -15.658659
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.876643245936429, total energy = -15.658659070121823

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: -15.658659
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8766432300210014, total energy = -15.6586590701218

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: -15.658659
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.876643271185455, total energy = -15.658659070121754

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: -15.658659
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8766432320699096, total energy = -15.658659070121791

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: -15.658659
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.876643233081263, total energy = -15.658659070121784

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.658659
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.876643217052331, total energy = -15.658659070121798

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.658659
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8766432400443613, total energy = -15.65865907012179

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.775, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 3.758030995037765 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.5 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 3.992907932227625 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.5 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 4.227784869417485 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.5 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 4.462661806607345 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.5 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 4.697538743797206 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.5 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 4.9324156809870665 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.5 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 5.167292618176926 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.5 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 5.402169555366786 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.5 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 5.637046492556647 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.5 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [2.87664324] Angstroms, c = [4.69753874] Angstroms, c/a = 1.632993

 Total energy: -15.658659070121832 eV

 Cohesive energy: -3.914664767530458 eV/atom

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