Element = Lattice = Model = Element: W
Lattice: hcp
Model: EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_000
Computed model cutoff of 4.403239923715625 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))

Optimization terminated successfully.
         Current function value: -34.981644
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7768129106611017, total energy = -34.98164361442731

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: -34.981644
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.776812896132469, total energy = -34.98164361442733

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: -34.981644
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7768128842115427, total energy = -34.98164361442729

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: -34.981644
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.776812919974328, total energy = -34.98164361442728

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: -34.981644
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.776812910661102, total energy = -34.98164361442731

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: -34.981644
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.7768128839787085, total energy = -34.98164361442731

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: -34.981644
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.776812896132469, total energy = -34.98164361442734

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: -34.981644
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.7768128830357446, total energy = -34.98164361442732

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: -34.981644
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.7768129128962755, total energy = -34.98164361442729

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: -34.981644
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.7768128896132103, total energy = -34.98164361442731

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: -34.981644
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.7768128961324683, total energy = -34.98164361442733

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: -34.981644
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7768129209289327, total energy = -34.98164361442729

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: -34.981644
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7768128866679027, total energy = -34.9816436144273

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: -34.981644
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.776812910661101, total energy = -34.9816436144273

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: -34.981644
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.776812881976365, total energy = -34.98164361442729

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: -34.981644
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.7768128633499125, total energy = -34.98164361442725

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: -34.981644
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.776812896132469, total energy = -34.98164361442733

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: -34.981644
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.776812877506015, total energy = -34.98164361442729

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: -34.981644
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.776812886819242, total energy = -34.98164361442729

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: -34.981644
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7768129098229126, total energy = -34.981643614427306

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: -34.981644
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.7768129009753437, total energy = -34.98164361442731

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: -34.981644
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7768129082978703, total energy = -34.9816436144273

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: -34.981644
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.776812893897291, total energy = -34.9816436144273

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.7768129] Angstroms and c = 3.627613176909085 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.981644
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.7768129053960346, c = 4.534516452337257, total energy = -34.981643614427306

Attempting to perform relaxation using initial lattice constant guess of a = [2.7768129] Angstroms and c = 3.854339000465903 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.981644
         Iterations: 79
         Function evaluations: 163
Results for this minimization:
  a = 2.7768128991214622, c = 4.534516453426708, total energy = -34.981643614427306

Attempting to perform relaxation using initial lattice constant guess of a = [2.7768129] Angstroms and c = 4.081064824022721 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.981644
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.7768129048899475, c = 4.534516552806258, total energy = -34.98164361442726

Attempting to perform relaxation using initial lattice constant guess of a = [2.7768129] Angstroms and c = 4.307790647579539 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.981644
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.7768129026877384, c = 4.534516460168113, total energy = -34.98164361442729

Attempting to perform relaxation using initial lattice constant guess of a = [2.7768129] Angstroms and c = 4.534516471136357 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.981644
         Iterations: 63
         Function evaluations: 137
Results for this minimization:
  a = 2.776812896132469, c = 4.534516471136357, total energy = -34.9816436144273

Attempting to perform relaxation using initial lattice constant guess of a = [2.7768129] Angstroms and c = 4.761242294693174 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.981644
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.7768129148465754, c = 4.534516446597486, total energy = -34.981643614427284

Attempting to perform relaxation using initial lattice constant guess of a = [2.7768129] Angstroms and c = 4.987968118249992 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.981644
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.776812918222493, c = 4.5345164685212636, total energy = -34.981643614427284

Attempting to perform relaxation using initial lattice constant guess of a = [2.7768129] Angstroms and c = 5.214693941806811 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.981644
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.7768129130204464, c = 4.5345165174748185, total energy = -34.98164361442728

Attempting to perform relaxation using initial lattice constant guess of a = [2.7768129] Angstroms and c = 5.441419765363628 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.981644
         Iterations: 75
         Function evaluations: 164
Results for this minimization:
  a = 2.7768129032634645, c = 4.534516433715899, total energy = -34.981643614427284

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

 Final lattice Constants:
   a = [2.7768129] Angstroms, c = [4.53451647] Angstroms, c/a = 1.632993

 Total energy: -34.98164361442734 eV

 Cohesive energy: -8.745410903606835 eV/atom

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