Element = Lattice = Model = Element: W
Lattice: hcp
Model: EAM_Dynamo_ChenFangLiu_2019_WTa__MO_645806019892_000
Computed model cutoff of 5.3015053027868415 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 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))

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 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 = 1.75 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 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 = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -34.369205
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.896222916431725, total energy = -34.36920543625254

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: -34.369205
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8962229613214747, total energy = -34.369205436252535

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: -34.369205
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.896222905616743, total energy = -34.36920543625258

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: -34.369205
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.8962229181604933, total energy = -34.369205436252564

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: -34.369205
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8962229007855047, total energy = -34.36920543625254

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: -34.369205
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8962229024618864, total energy = -34.36920543625252

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: -34.369205
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.8962229784578084, total energy = -34.36920543625251

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: -34.369205
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8962229206925265, total energy = -34.369205436252514

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: -34.369205
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.896222905814648, total energy = -34.36920543625253

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: -34.369205
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 2.8962229371070856, total energy = -34.36920543625258

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: -34.369205
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.8962229286844376, total energy = -34.369205436252564

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: -34.369205
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8962230026721945, total energy = -34.369205436252386

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: -34.369205
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8962228688644234, total energy = -34.369205436252486

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: -34.369205
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.896222876757382, total energy = -34.36920543625247

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: -34.369205
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8962229052325688, total energy = -34.36920543625258

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: -34.369205
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.896222916431725, total energy = -34.369205436252535

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: -34.369205
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.896222893893716, total energy = -34.36920543625253

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: -34.369205
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.896222961228339, total energy = -34.369205436252535

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: -34.369205
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.896222921268782, total energy = -34.36920543625255

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: -34.369205
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8962229816126612, total energy = -34.36920543625252

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: -34.369205
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.896222943905741, total energy = -34.36920543625258

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: -34.369205
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8962229418917524, total energy = -34.36920543625262

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: -34.369205
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.896222896245307, total energy = -34.36920543625251

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: -34.369205
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8962229007855074, total energy = -34.369205436252535

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: -34.369205
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.8962229094468026, total energy = -34.369205436252564

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 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 = 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 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 = 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 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 = 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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.89622294] Angstroms and c = 3.7836098074544897 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.369272
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.8944813309329978, c = 4.735193731294589, total energy = -34.3692724937013

Attempting to perform relaxation using initial lattice constant guess of a = [2.89622294] Angstroms and c = 4.020085420420395 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.369272
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 2.8944813544235313, c = 4.735193727727713, total energy = -34.36927249370129

Attempting to perform relaxation using initial lattice constant guess of a = [2.89622294] Angstroms and c = 4.256561033386301 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.369272
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.894481334438108, c = 4.735193828359258, total energy = -34.3692724937013

Attempting to perform relaxation using initial lattice constant guess of a = [2.89622294] Angstroms and c = 4.4930366463522065 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.369272
         Iterations: 67
         Function evaluations: 140
Results for this minimization:
  a = 2.894481333891825, c = 4.735193835582637, total energy = -34.369272493701274

Attempting to perform relaxation using initial lattice constant guess of a = [2.89622294] Angstroms and c = 4.729512259318112 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.369272
         Iterations: 64
         Function evaluations: 142
Results for this minimization:
  a = 2.8944813375664067, c = 4.735193841228021, total energy = -34.36927249370128

Attempting to perform relaxation using initial lattice constant guess of a = [2.89622294] Angstroms and c = 4.965987872284018 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.369272
         Iterations: 69
         Function evaluations: 155
Results for this minimization:
  a = 2.8944813198274506, c = 4.735193908041821, total energy = -34.36927249370126

Attempting to perform relaxation using initial lattice constant guess of a = [2.89622294] Angstroms and c = 5.202463485249924 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.369272
         Iterations: 65
         Function evaluations: 144
Results for this minimization:
  a = 2.894481392686527, c = 4.735193788563376, total energy = -34.369272493701246

Attempting to perform relaxation using initial lattice constant guess of a = [2.89622294] Angstroms and c = 5.438939098215829 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.369272
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.894481365061917, c = 4.735193785246885, total energy = -34.36927249370129

Attempting to perform relaxation using initial lattice constant guess of a = [2.89622294] Angstroms and c = 5.675414711181734 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.369272
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.894481343966153, c = 4.735193892812177, total energy = -34.36927249370126

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

 Final lattice Constants:
   a = 2.8944813309329978 Angstroms, c = 4.735193731294589 Angstroms, c/a = 1.635939

 Total energy: -34.3692724937013 eV

 Cohesive energy: -8.592318123425326 eV/atom

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