Element = Lattice = Model = Element: Ta
Lattice: hcp
Model: EAM_Dynamo_ChenFangLiu_2019_WTa__MO_645806019892_001
Computed model cutoff of 5.599519966542729 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ta

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

Optimization terminated successfully.
         Current function value: -31.685813
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.9104243665933645, total energy = -31.685812770701286

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.685813
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9104242991190397, total energy = -31.685812770701375

Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.685813
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.910424306523055, total energy = -31.68581277070141

Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.685813
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.910424252413221, total energy = -31.68581277070145

Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.685813
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9104242682456998, total energy = -31.685812770701425

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: -31.685813
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9104242392990303, total energy = -31.685812770701382

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: -31.685813
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9104243182577196, total energy = -31.685812770701386

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: -31.685813
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.910424313682597, total energy = -31.685812770701446

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: -31.685813
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.910424347221854, total energy = -31.68581277070132

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: -31.685813
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9104242962319415, total energy = -31.68581277070141

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: -31.685813
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9104243112727994, total energy = -31.68581277070142

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: -31.685813
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9104243069887152, total energy = -31.6858127707014

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: -31.685813
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.910424306290224, total energy = -31.6858127707014

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: -31.685813
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9104242458939558, total energy = -31.685812770701347

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: -31.685813
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.910424303379842, total energy = -31.685812770701435

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: -31.685813
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.910424316022546, total energy = -31.68581277070135

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: -31.685813
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.910424268245697, total energy = -31.68581277070141

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: -31.685813
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.910424285219051, total energy = -31.685812770701418

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: -31.685813
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.9104242392990276, total energy = -31.685812770701407

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: -31.685813
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.910424246051115, total energy = -31.68581277070138

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: -31.685813
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9104243182577187, total energy = -31.685812770701364

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: -31.685813
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9104242742061603, total energy = -31.68581277070144

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: -31.685813
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9104242883622646, total energy = -31.685812770701375

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: -31.685813
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9104242846369712, total energy = -31.685812770701386

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: -31.685813
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9104243159294114, total energy = -31.685812770701332

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: -31.685813
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.910424311831595, total energy = -31.685812770701354

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: -31.685813
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.910424295440314, total energy = -31.685812770701435

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: -31.685813
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.910424319561571, total energy = -31.68581277070137

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: -31.685813
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.910424299538131, total energy = -31.685812770701347

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: -31.685813
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.91042430733796, total energy = -31.685812770701403

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: -31.685813
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.910424307873474, total energy = -31.685812770701396

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: -31.685813
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 2.9104243277572066, total energy = -31.685812770701357

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: -31.685813
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.910424306290224, total energy = -31.685812770701443

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: -31.685813
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9104242924600796, total energy = -31.68581277070143

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: -31.685813
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.910424245893953, total energy = -31.68581277070137

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: -31.685813
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9104243172914748, total energy = -31.68581277070139

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: -31.685813
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.910424303379838, total energy = -31.68581277070142

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.685813
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9104242974426597, total energy = -31.685812770701393

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.91042425] Angstroms and c = 3.802162321831245 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91042425] Angstroms and c = 4.039797466945697 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91042425] Angstroms and c = 4.277432612060149 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91042425] Angstroms and c = 4.515067757174602 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91042425] Angstroms and c = 4.752702902289055 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91042425] Angstroms and c = 4.990338047403507 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91042425] Angstroms and c = 5.227973192517959 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91042425] Angstroms and c = 5.465608337632412 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91042425] Angstroms and c = 5.703243482746865 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [2.91042425] Angstroms, c = [4.7527029] Angstroms, c/a = 1.632993

 Total energy: -31.68581277070145 eV

 Cohesive energy: -7.921453192675362 eV/atom

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