Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: EAM_Dynamo_Ackland_1992_Ti__MO_748534961139_006
Computed model cutoff of 5.090698042809982 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ti

==============================================================================
==============================================================================
 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: -19.398772
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.941302812099461, total energy = -19.39877157879821

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: -19.398772
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9413027884671457, total energy = -19.398771578798225

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: -19.398772
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9413027772679925, total energy = -19.39877157879824

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: -19.398772
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9413027725764618, total energy = -19.3987715787982

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: -19.398772
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.941302788816395, total energy = -19.39877157879822

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: -19.398772
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9413027634669584, total energy = -19.39877157879821

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: -19.398772
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9413027584552767, total energy = -19.398771578798222

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: -19.398772
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.941302760038525, total energy = -19.398771578798208

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: -19.398772
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.9413027998060013, total energy = -19.398771578798193

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: -19.398772
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.941302798595281, total energy = -19.398771578798204

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: -19.398772
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.941302784957225, total energy = -19.3987715787982

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: -19.398772
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9413027811795462, total energy = -19.398771578798215

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: -19.398772
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.941302769817412, total energy = -19.39877157879821

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: -19.398772
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.941302810120397, total energy = -19.398771578798197

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: -19.398772
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.941302765021101, total energy = -19.398771578798208

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: -19.398772
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.9413027756847443, total energy = -19.39877157879822

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: -19.398772
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.941302788257598, total energy = -19.398771578798215

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: -19.398772
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.941302773542702, total energy = -19.39877157879821

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: -19.398772
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.94130277549848, total energy = -19.39877157879819

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: -19.398772
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9413027522154147, total energy = -19.3987715787982

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: -19.398772
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.941302768478635, total energy = -19.398771578798204

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: -19.398772
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.941302796453237, total energy = -19.398771578798204

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: -19.398772
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.941302760038525, total energy = -19.398771578798193

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: -19.398772
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.941302761575205, total energy = -19.39877157879819

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: -19.398772
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9413027882575977, total energy = -19.398771578798222

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: -19.398772
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9413027737289683, total energy = -19.398771578798208

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: -19.398772
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9413027843460418, total energy = -19.398771578798193

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: -19.398772
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.941302782332059, total energy = -19.398771578798215

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: -19.398772
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.9413027823902627, total energy = -19.398771578798204

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: -19.398772
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9413027841306745, total energy = -19.3987715787982

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: -19.398772
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9413027882576, total energy = -19.398771578798208

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: -19.398772
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.941302781211558, total energy = -19.3987715787982

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: -19.398772
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9413027744740248, total energy = -19.398771578798208

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: -19.398772
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9413027988746707, total energy = -19.398771578798208

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.94130278] Angstroms and c = 3.8425018577800656 = ([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 = 5.125 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 = [2.94130278] Angstroms and c = 4.08265822389132 = ([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 = 5.125 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 = [2.94130278] Angstroms and c = 4.322814590002574 = ([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 = 5.125 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 = [2.94130278] Angstroms and c = 4.562970956113829 = ([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 = 5.125 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 = [2.94130278] Angstroms and c = 4.803127322225084 = ([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 = 5.125 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 = [2.94130278] Angstroms and c = 5.043283688336338 = ([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 = 5.125 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 = [2.94130278] Angstroms and c = 5.283440054447592 = ([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 = 5.125 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 = [2.94130278] Angstroms and c = 5.523596420558847 = ([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 = 5.125 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 = [2.94130278] Angstroms and c = 5.763752786670102 = ([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 = 5.125 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 = [2.94130278] Angstroms, c = [4.80312732] Angstroms, c/a = 1.632993

 Total energy: -19.39877157879824 eV

 Cohesive energy: -4.84969289469956 eV/atom

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