Element = Lattice = Model = Element: W
Lattice: hcp
Model: EAM_Dynamo_BonnyTerentyev_2014EAM1_W__MO_292520929154_000
Computed model cutoff of 5.459501457959426 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))

Optimization terminated successfully.
         Current function value: -34.101701
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7780181397683936, total energy = -34.101700819979

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: -34.101701
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.778018050757237, total energy = -34.10170081997905

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: -34.101701
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7780181036214344, total energy = -34.10170081997904

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: -34.101701
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7780180439353006, total energy = -34.10170081997905

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: -34.101701
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7780180254078015, total energy = -34.101700819979044

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: -34.101701
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.778018104285003, total energy = -34.101700819978994

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: -34.101701
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.778017999231814, total energy = -34.10170081997898

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: -34.101701
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.778018081560731, total energy = -34.101700819979136

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: -34.101701
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.7780180606991043, total energy = -34.101700819979094

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: -34.101701
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.778018046345096, total energy = -34.10170081997906

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: -34.101701
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.778018073085695, total energy = -34.101700819979

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: -34.101701
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.7780180439352984, total energy = -34.10170081997902

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: -34.101701
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.7780180050467607, total energy = -34.10170081997899

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: -34.101701
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7780181410547797, total energy = -34.10170081997896

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: -34.101701
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7780180439352975, total energy = -34.10170081997901

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: -34.101701
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7780180437490327, total energy = -34.101700819979

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: -34.101701
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.77801806188654, total energy = -34.101700819979065

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: -34.101701
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7780181036214344, total energy = -34.10170081997901

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: -34.101701
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7780180107802126, total energy = -34.101700819978994

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: -34.101701
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7780180435627693, total energy = -34.10170081997903

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: -34.101701
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.778018092829736, total energy = -34.10170081997902

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: -34.101701
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.778018025308845, total energy = -34.10170081997902

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: -34.101701
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.778018081560731, total energy = -34.101700819979065

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: -34.101701
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7780181042849987, total energy = -34.101700819978994

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: -34.101701
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.778018103074281, total energy = -34.10170081997897

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: -34.101701
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.7780179992318166, total energy = -34.101700819979015

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: 35
         Function evaluations: 102
Results for this minimization:
  a = 5.606250000000001, 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: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.637500000000001, 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: 97
Results for this minimization:
  a = 5.64375, total energy = 0.0

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: 98
Results for this minimization:
  a = 5.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.77801808] Angstroms and c = 3.6291876245595804 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.249424
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.6854643039006008, c = 4.629050878413055, total energy = -34.24942382830244

Attempting to perform relaxation using initial lattice constant guess of a = [2.77801808] Angstroms and c = 3.856011851094554 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.249424
         Iterations: 81
         Function evaluations: 171
Results for this minimization:
  a = 2.685464301523104, c = 4.629050862447041, total energy = -34.249423828302504

Attempting to perform relaxation using initial lattice constant guess of a = [2.77801808] Angstroms and c = 4.082836077629528 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.085062
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.9104854007518943, c = 4.55557846897678, total energy = -34.08506206403762

Attempting to perform relaxation using initial lattice constant guess of a = [2.77801808] Angstroms and c = 4.309660304164501 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.249424
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 2.685464327061024, c = 4.629050900964861, total energy = -34.24942382830238

Attempting to perform relaxation using initial lattice constant guess of a = [2.77801808] Angstroms and c = 4.536484530699475 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.249424
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 2.6854642929131227, c = 4.629050886966784, total energy = -34.24942382830246

Attempting to perform relaxation using initial lattice constant guess of a = [2.77801808] Angstroms and c = 4.763308757234448 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.249424
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.6854643209419127, c = 4.629050946102115, total energy = -34.249423828302426

Attempting to perform relaxation using initial lattice constant guess of a = [2.77801808] Angstroms and c = 4.990132983769422 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.249424
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 2.685464281554065, c = 4.629050864950786, total energy = -34.24942382830238

Attempting to perform relaxation using initial lattice constant guess of a = [2.77801808] Angstroms and c = 5.216957210304395 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.249424
         Iterations: 92
         Function evaluations: 194
Results for this minimization:
  a = 2.6854643160049196, c = 4.629050869885421, total energy = -34.24942382830244

Attempting to perform relaxation using initial lattice constant guess of a = [2.77801808] Angstroms and c = 5.4437814368393695 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.085062
         Iterations: 74
         Function evaluations: 162
Results for this minimization:
  a = 2.910485362427659, c = 4.555578600238198, total energy = -34.085062064037615

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

 Final lattice Constants:
   a = 2.685464301523104 Angstroms, c = 4.629050862447041 Angstroms, c/a = 1.723743

 Total energy: -34.249423828302504 eV

 Cohesive energy: -8.562355957075626 eV/atom

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