Element = Lattice = Model = Element: W
Lattice: hcp
Model: EAM_Dynamo_MarinicaVentelonGilbert_2013EAM3_W__MO_706622909913_000
Computed model cutoff of 5.291047616601005 Angstroms
Computed isolated atomic energy of 0.0 eV for species W

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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.0 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 = 2.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.125 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 = 2.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -34.138401
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.714195381716126, total energy = -34.13840141440491

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: -34.138401
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7141953905113034, total energy = -34.13840141440496

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: -34.138401
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.714195340871811, total energy = -34.13840141440479

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: -34.138401
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.7141953428275887, total energy = -34.138401414404896

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: -34.138401
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.714195360988378, total energy = -34.13840141440492

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: -34.138401
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7141953876765914, total energy = -34.138401414404946

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: -34.138401
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.7141953989863374, total energy = -34.13840141440477

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: -34.138401
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.71419539116323, total energy = -34.13840141440491

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: -34.138401
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7141953635960814, total energy = -34.13840141440505

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: -34.138401
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.714195344102335, total energy = -34.13840141440484

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: -34.138401
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.714195342827587, total energy = -34.1384014144049

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: -34.138401
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.714195360359733, total energy = -34.1384014144049

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: -34.138401
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.714195340173319, total energy = -34.13840141440496

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 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 = 3.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.0 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 = 4.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.125 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 = 4.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.25 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 = 4.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -34.138401
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.714195340871811, total energy = -34.13840141440484

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: -34.138401
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7141953817161224, total energy = -34.13840141440486

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: -34.138401
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.714195352257229, total energy = -34.13840141440495

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: -34.138401
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7141954064369216, total energy = -34.13840141440475

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.362500000000001, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.5, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.3812500000000005, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.5125, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.375, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.71419536] Angstroms and c = 3.545809974953739 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.995757
         Iterations: 71
         Function evaluations: 158
Results for this minimization:
  a = 3.0207283060812173, c = 4.398416476175176, total energy = -33.99575700702723

Attempting to perform relaxation using initial lattice constant guess of a = [2.71419536] Angstroms and c = 3.7674230983883477 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.177865
         Iterations: 95
         Function evaluations: 204
Results for this minimization:
  a = 2.7064738073813466, c = 4.51351688778241, total energy = -34.177865033868535

Attempting to perform relaxation using initial lattice constant guess of a = [2.71419536] Angstroms and c = 3.9890362218229565 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.177865
         Iterations: 78
         Function evaluations: 165
Results for this minimization:
  a = 2.7064738044662384, c = 4.513516846092138, total energy = -34.17786503386849

Attempting to perform relaxation using initial lattice constant guess of a = [2.71419536] Angstroms and c = 4.210649345257565 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.177865
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.7064737967040853, c = 4.513516781000822, total energy = -34.177865033868436

Attempting to perform relaxation using initial lattice constant guess of a = [2.71419536] Angstroms and c = 4.4322624686921746 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.177865
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.706473802228234, c = 4.513516841319978, total energy = -34.17786503386849

Attempting to perform relaxation using initial lattice constant guess of a = [2.71419536] Angstroms and c = 4.6538755921267825 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.177865
         Iterations: 66
         Function evaluations: 150
Results for this minimization:
  a = 2.706473809994029, c = 4.513516779896819, total energy = -34.17786503386845

Attempting to perform relaxation using initial lattice constant guess of a = [2.71419536] Angstroms and c = 4.875488715561392 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.177865
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.706473813642357, c = 4.513516843039904, total energy = -34.177865033868486

Attempting to perform relaxation using initial lattice constant guess of a = [2.71419536] Angstroms and c = 5.097101838996 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.995757
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 3.020728244284452, c = 4.398416405899871, total energy = -33.99575700702716

Attempting to perform relaxation using initial lattice constant guess of a = [2.71419536] Angstroms and c = 5.31871496243061 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.177865
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.7064738090385934, c = 4.513516785219005, total energy = -34.17786503386839

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

 Final lattice Constants:
   a = 2.7064738073813466 Angstroms, c = 4.51351688778241 Angstroms, c/a = 1.667674

 Total energy: -34.177865033868535 eV

 Cohesive energy: -8.544466258467134 eV/atom

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