Element = Lattice = Model = Element: Ta
Lattice: hcp
Model: EAM_Dynamo_RaveloGermannGuerrero_2013Ta1_Ta__MO_816821594689_001
Computed model cutoff of 5.299999912753716 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: -31.845758
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9631688222289125, total energy = -31.845758387123986

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: -31.845758
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9631688149645923, total energy = -31.845758387123915

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: -31.845758
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9631687812507153, total energy = -31.845758387123933

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: -31.845758
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 2.9631688235909754, total energy = -31.8457583871239

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: -31.845758
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.963168781856079, total energy = -31.845758387123908

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: -31.845758
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9631688088178656, total energy = -31.845758387123976

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: -31.845758
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9631688088178634, total energy = -31.845758387123958

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: -31.845758
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9631688222289085, total energy = -31.84575838712397

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: -31.845758
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9631688222289116, total energy = -31.845758387123983

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: -31.845758
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.963168836303523, total energy = -31.84575838712391

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: -31.845758
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9631688283756388, total energy = -31.84575838712389

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: -31.845758
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9631688017281688, total energy = -31.845758387123908

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: -31.845758
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9631687812507153, total energy = -31.84575838712393

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: -31.845758
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.963168808817864, total energy = -31.84575838712396

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: -31.845758
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9631688196212056, total energy = -31.845758387123922

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: -31.845758
         Iterations: 32
         Function evaluations: 72
Results for this minimization:
  a = 2.9631688102410414, total energy = -31.845758387123908

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: -31.845758
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9631687843706462, total energy = -31.84575838712393

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: -31.845758
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9631687717483146, total energy = -31.845758387123887

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: -31.845758
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.963168808817864, total energy = -31.84575838712394

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: -31.845758
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9631687896617214, total energy = -31.84575838712389

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: -31.845758
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9631688088178634, total energy = -31.84575838712393

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: -31.845758
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.963168825377942, total energy = -31.84575838712393

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: -31.845758
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9631688222289085, total energy = -31.84575838712397

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: -31.845758
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.963168782764112, total energy = -31.84575838712394

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: -31.845758
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.963168822228908, total energy = -31.84575838712396

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: -31.845758
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9631688324268906, total energy = -31.845758387123933

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: -31.845758
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9631688489695063, total energy = -31.845758387123883

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: -31.845758
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9631688150111586, total energy = -31.845758387123908

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: -31.845758
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9631688017107054, total energy = -31.845758387123933

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: -31.845758
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9631687843633694, total energy = -31.84575838712393

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: -31.845758
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9631688017281723, total energy = -31.845758387123904

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: -31.845758
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.9631688088178603, total energy = -31.84575838712394

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: -31.845758
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9631687961518764, total energy = -31.845758387123922

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: -31.845758
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.963168854359533, total energy = -31.84575838712384

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: -31.845758
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.963168808817862, total energy = -31.845758387123947

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: -31.845758
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9631687536835685, total energy = -31.845758387123837

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.96316882] Angstroms and c = 3.8710675392984704 = ([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 = 5.375 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 = [2.96316882] Angstroms and c = 4.113009260504625 = ([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 = 5.375 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 = [2.96316882] Angstroms and c = 4.354950981710779 = ([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 = 5.375 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 = [2.96316882] Angstroms and c = 4.596892702916934 = ([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 = 5.375 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 = [2.96316882] Angstroms and c = 4.838834424123089 = ([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 = 5.375 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 = [2.96316882] Angstroms and c = 5.080776145329243 = ([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 = 5.375 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 = [2.96316882] Angstroms and c = 5.322717866535397 = ([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 = 5.375 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 = [2.96316882] Angstroms and c = 5.564659587741552 = ([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 = 5.375 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 = [2.96316882] Angstroms and c = 5.806601308947707 = ([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 = 5.375 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 = [2.96316882] Angstroms, c = [4.83883442] Angstroms, c/a = 1.632993

 Total energy: -31.845758387123986 eV

 Cohesive energy: -7.9614395967809966 eV/atom

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