Element = Lattice = Model = Element: user01
Lattice: hcp
Model: TIDP_RajanWarnerCurtin_2016A_User01__MO_514760222899_001
Computed model cutoff of 1.3910000016168182 Angstroms
Computed isolated atomic energy of 0.0 eV for species user01

==============================================================================
==============================================================================
 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: -24.000000
         Iterations: 30
         Function evaluations: 64
Results for this minimization:
  a = 1.0, total energy = -24.0

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: -24.000000
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 1.0000000007450576, total energy = -24.0

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: -24.000000
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 1.0, total energy = -24.0

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: -24.000000
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 0.999999999068677, total energy = -24.0

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: 0.000000
         Iterations: 31
         Function evaluations: 92
Results for this minimization:
  a = 1.5, total energy = 0.0

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: 0.000000
         Iterations: 31
         Function evaluations: 92
Results for this minimization:
  a = 1.625, total energy = 0.0

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: 0.000000
         Iterations: 31
         Function evaluations: 92
Results for this minimization:
  a = 1.75, total energy = 0.0

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: 0.000000
         Iterations: 31
         Function evaluations: 92
Results for this minimization:
  a = 1.875, total energy = 0.0

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: 0.000000
         Iterations: 31
         Function evaluations: 92
Results for this minimization:
  a = 2.0, total energy = 0.0

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: 0.000000
         Iterations: 31
         Function evaluations: 92
Results for this minimization:
  a = 2.125, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.25, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.5, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.625, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.75, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.875, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.0, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.125, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [1.] Angstroms and c = 1.3063945294843617 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.000000
         Iterations: 64
         Function evaluations: 137
Results for this minimization:
  a = 1.0000000023839435, c = 1.6329931600690213, total energy = -24.0

Attempting to perform relaxation using initial lattice constant guess of a = [1.] Angstroms and c = 1.3880441875771343 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.000000
         Iterations: 67
         Function evaluations: 137
Results for this minimization:
  a = 0.9999999976454004, c = 1.6329931623565954, total energy = -24.0

Attempting to perform relaxation using initial lattice constant guess of a = [1.] Angstroms and c = 1.469693845669907 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.000000
         Iterations: 68
         Function evaluations: 142
Results for this minimization:
  a = 0.9999999994929449, c = 1.6329931573687595, total energy = -24.0

Attempting to perform relaxation using initial lattice constant guess of a = [1.] Angstroms and c = 1.5513435037626795 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.000000
         Iterations: 61
         Function evaluations: 132
Results for this minimization:
  a = 0.9999999970113299, c = 1.6329931650946963, total energy = -24.0

Attempting to perform relaxation using initial lattice constant guess of a = [1.] Angstroms and c = 1.632993161855452 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.000000
         Iterations: 57
         Function evaluations: 124
Results for this minimization:
  a = 1.0, c = 1.632993161855452, total energy = -24.0

Attempting to perform relaxation using initial lattice constant guess of a = [1.] Angstroms and c = 1.7146428199482247 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.000000
         Iterations: 64
         Function evaluations: 134
Results for this minimization:
  a = 0.9999999972391372, c = 1.632993164509792, total energy = -24.0

Attempting to perform relaxation using initial lattice constant guess of a = [1.] Angstroms and c = 1.7962924780409972 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.000000
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 0.9999999972930496, c = 1.632993165634048, total energy = -24.0

Attempting to perform relaxation using initial lattice constant guess of a = [1.] Angstroms and c = 1.8779421361337698 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.000000
         Iterations: 65
         Function evaluations: 138
Results for this minimization:
  a = 1.0000000019869677, c = 1.6329931614187112, total energy = -24.0

Attempting to perform relaxation using initial lattice constant guess of a = [1.] Angstroms and c = 1.9595917942265424 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.000000
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 1.0000000017599433, c = 1.6329931627966698, total energy = -24.0

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

 Final lattice Constants:
   a = [1.] Angstroms, c = [1.63299316] Angstroms, c/a = 1.632993

 Total energy: -24.0 eV

 Cohesive energy: -6.0 eV/atom

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