Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: EAM_Dynamo_ZhouJohnsonWadley_2004_Ti__MO_723456820410_006
Computed model cutoff of 6.560337062478097 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: -19.479992
         Iterations: 44
         Function evaluations: 92
Results for this minimization:
  a = 2.933861489593987, total energy = -19.479992119401345

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: -19.479992
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.933861462026834, total energy = -19.479992119401288

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: -19.479992
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 2.9338614657172, total energy = -19.47999211940128

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: -19.479992
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.9338614165782997, total energy = -19.47999211940119

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: -19.479992
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 2.933861410617831, total energy = -19.479992119401217

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: -19.479992
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 2.9338614579988676, total energy = -19.479992119401317

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: -19.479992
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.9338614583015454, total energy = -19.4799921194013

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: -19.479992
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.9338614834705368, total energy = -19.47999211940132

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: -19.479992
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.9338614583015463, total energy = -19.4799921194013

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: -19.479992
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.933861512225124, total energy = -19.4799921194012

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: -19.479992
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9338614620268344, total energy = -19.479992119401288

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: -19.479992
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.933861448118113, total energy = -19.479992119401302

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: -19.479992
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9338614657172, total energy = -19.479992119401278

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: -19.479992
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9338614540640275, total energy = -19.479992119401246

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: -19.479992
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9338614165782935, total energy = -19.47999211940126

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: -19.479992
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.933861463691573, total energy = -19.479992119401327

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: -19.479992
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.933861450850963, total energy = -19.479992119401306

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: -19.479992
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9338615015149117, total energy = -19.479992119401278

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: -19.479992
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9338614579988653, total energy = -19.47999211940131

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: -19.479992
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9338614955544475, total energy = -19.47999211940126

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: -19.479992
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.933861458301545, total energy = -19.479992119401288

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: -19.479992
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 2.9338614974520167, total energy = -19.479992119401235

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: -19.479992
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9338614834705368, total energy = -19.479992119401317

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: -19.479992
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.933861462026833, total energy = -19.479992119401256

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: -19.479992
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.933861461281775, total energy = -19.479992119401288

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: -19.479992
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.933861469849946, total energy = -19.47999211940128

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: -19.479992
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 2.9338615115324496, total energy = -19.47999211940125

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: -19.479992
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 2.933861518278718, total energy = -19.479992119401214

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: -19.479992
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9338614484062377, total energy = -19.479992119401317

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: -19.479992
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 2.9338614250882507, total energy = -19.479992119401278

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: -19.479992
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 2.933861448118115, total energy = -19.479992119401306

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: -19.479992
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9338614522479434, total energy = -19.47999211940129

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: -19.479992
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9338614643202163, total energy = -19.479992119401267

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: -19.479992
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9338614379055756, total energy = -19.479992119401242

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: -19.479992
         Iterations: 44
         Function evaluations: 93
Results for this minimization:
  a = 2.9338615304615794, total energy = -19.47999211940123

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: -19.479992
         Iterations: 45
         Function evaluations: 96
Results for this minimization:
  a = 2.9338614900712874, total energy = -19.479992119401274

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: -19.479992
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.93386141657829, total energy = -19.479992119401267

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: -19.479992
         Iterations: 44
         Function evaluations: 93
Results for this minimization:
  a = 2.933861472294666, total energy = -19.479992119401295

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.479992
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 2.9338614612817713, total energy = -19.479992119401278

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.479992
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 2.933861456351586, total energy = -19.479992119401302

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.479992
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 2.933861450850956, total energy = -19.479992119401274

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.479992
         Iterations: 44
         Function evaluations: 93
Results for this minimization:
  a = 2.9338614969688903, total energy = -19.4799921194013

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.479992
         Iterations: 43
         Function evaluations: 93
Results for this minimization:
  a = 2.9338615015149117, total energy = -19.479992119401263

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.479992
         Iterations: 43
         Function evaluations: 89
Results for this minimization:
  a = 2.933861478581092, total energy = -19.47999211940131

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.479992
         Iterations: 44
         Function evaluations: 93
Results for this minimization:
  a = 2.933861457998858, total energy = -19.479992119401295

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.479992
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.93386148894205, total energy = -19.479992119401285

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.93386149] Angstroms and c = 3.8327806002704254 = ([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 = 6.625 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 = [2.93386149] Angstroms and c = 4.0723293877873274 = ([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 = 6.625 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 = [2.93386149] Angstroms and c = 4.31187817530423 = ([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 = 6.625 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 = [2.93386149] Angstroms and c = 4.5514269628211315 = ([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 = 6.625 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 = [2.93386149] Angstroms and c = 4.790975750338033 = ([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 = 6.625 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 = [2.93386149] Angstroms and c = 5.0305245378549355 = ([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 = 6.625 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 = [2.93386149] Angstroms and c = 5.270073325371838 = ([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 = 6.625 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 = [2.93386149] Angstroms and c = 5.5096221128887395 = ([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 = 6.625 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 = [2.93386149] Angstroms and c = 5.749170900405641 = ([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 = 6.625 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 = [2.93386149] Angstroms, c = [4.79097575] Angstroms, c/a = 1.632993

 Total energy: -19.479992119401345 eV

 Cohesive energy: -4.869998029850336 eV/atom

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