Element = Lattice = Model = Element: W
Lattice: hcp
Model: EAM_Dynamo_Olsson_2009_W__MO_670013535154_000
Computed model cutoff of 4.739556365311173 Angstroms
Computed isolated atomic energy of -1e-07 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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
Continuing...


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: -34.639227
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.896618195995691, total energy = -34.639227043279725

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: -34.639227
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 2.8966181576251984, total energy = -34.63922704327978

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: -34.639227
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.896618193713948, total energy = -34.63922704327976

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: -34.639227
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8966181397438078, total energy = -34.63922704327974

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: -34.639227
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8966181858384523, total energy = -34.639227043279746

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: -34.639227
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8966181521362167, total energy = -34.63922704327977

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: -34.639227
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8966181621886777, total energy = -34.63922704327978

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: -34.639227
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.896618172468152, total energy = -34.63922704327978

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: -34.639227
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 2.8966181581345154, total energy = -34.63922704327974

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: -34.639227
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.896618188917637, total energy = -34.63922704327977

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: -34.639227
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.8966181682422754, total energy = -34.639227043279774

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: -34.639227
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.896618171781301, total energy = -34.63922704327976

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: -34.639227
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.896618172817398, total energy = -34.63922704327975

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: -34.639227
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8966181981144468, total energy = -34.639227043279725

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: -34.639227
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.896618203422986, total energy = -34.63922704327974

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: -34.639227
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.8966181576251975, total energy = -34.63922704327974

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: -34.639227
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.896618179930373, total energy = -34.63922704327973

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: -34.639227
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8966181814903393, total energy = -34.639227043279746

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: -34.639227
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8966181723459123, total energy = -34.63922704327976

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: -34.639227
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.896618138998746, total energy = -34.63922704327972

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: -34.639227
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8966181561350828, total energy = -34.63922704327974

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: -34.639227
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8966181859374016, total energy = -34.639227043279725

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: -34.639227
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8966181511059403, total energy = -34.63922704327974

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: -34.639227
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8966181516123433, total energy = -34.63922704327974

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: -34.639227
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8966181789990504, total energy = -34.63922704327973

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: -34.639227
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8966181657277064, total energy = -34.63922704327974

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.89661816] Angstroms and c = 3.7841261151266297 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.639227
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.8966183468259823, c = 4.730157026792803, total energy = -34.63922704328022

Attempting to perform relaxation using initial lattice constant guess of a = [2.89661816] Angstroms and c = 4.020633997322044 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.639227
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.8966183465542317, c = 4.730157011252416, total energy = -34.63922704328022

Attempting to perform relaxation using initial lattice constant guess of a = [2.89661816] Angstroms and c = 4.257141879517458 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.639227
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.89661836899434, c = 4.730157032117229, total energy = -34.63922704328023

Attempting to perform relaxation using initial lattice constant guess of a = [2.89661816] Angstroms and c = 4.493649761712872 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.639227
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.896618367331244, c = 4.730157049819676, total energy = -34.63922704328023

Attempting to perform relaxation using initial lattice constant guess of a = [2.89661816] Angstroms and c = 4.730157643908286 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.639227
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.896618321435108, c = 4.730157105575111, total energy = -34.63922704328023

Attempting to perform relaxation using initial lattice constant guess of a = [2.89661816] Angstroms and c = 4.9666655261037 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.639227
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 2.8966183585677294, c = 4.730157099466149, total energy = -34.639227043280236

Attempting to perform relaxation using initial lattice constant guess of a = [2.89661816] Angstroms and c = 5.203173408299114 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.639227
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.896618378464531, c = 4.730157010014452, total energy = -34.639227043280215

Attempting to perform relaxation using initial lattice constant guess of a = [2.89661816] Angstroms and c = 5.439681290494528 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.639227
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.896618369191508, c = 4.730157045667886, total energy = -34.63922704328023

Attempting to perform relaxation using initial lattice constant guess of a = [2.89661816] Angstroms and c = 5.676189172689942 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.639227
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.8966183557564342, c = 4.730157165294203, total energy = -34.639227043280236

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

 Final lattice Constants:
   a = 2.8966183585677294 Angstroms, c = 4.730157099466149 Angstroms, c/a = 1.632993

 Total energy: -34.639227043280236 eV

 Cohesive energy: -8.659806760820059 eV/atom

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