Element = Lattice = Model = Element: Cd
Lattice: hcp
Model: SW_WangStroudMarkworth_1989_CdTe__MO_786496821446_000
Computed model cutoff of 4.4512860769406295 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cd

==============================================================================
==============================================================================
 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: -3.570694
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.6451580807566697, total energy = -3.570693659015033

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: -3.570694
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.645158087607705, total energy = -3.5706936590150335

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: -3.570694
         Iterations: 42
         Function evaluations: 87
Results for this minimization:
  a = 3.6451580794528127, total energy = -3.5706936590150327

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: -3.570694
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.6451580847380787, total energy = -3.570693659015036

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: -3.570694
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.64515808448196, total energy = -3.570693659015033

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: -3.570694
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6451580770313763, total energy = -3.570693659015031

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: -3.570694
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.645158080430701, total energy = -3.570693659015033

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: -3.570694
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.6451580794528127, total energy = -3.5706936590150327

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: -3.570694
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.6451580807566692, total energy = -3.570693659015035

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: -3.570694
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 3.6451580759137885, total energy = -3.5706936590150296

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: -3.570694
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.645158073306084, total energy = -3.570693659015027

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: -3.570694
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.6451580825261747, total energy = -3.5706936590150318

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: -3.570694
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6451580746797845, total energy = -3.570693659015029

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: -3.570694
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.645158081408592, total energy = -3.5706936590150327

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: -3.570694
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.64515808396973, total energy = -3.5706936590150313

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: -3.570694
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.645158080756665, total energy = -3.570693659015031

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: -3.570694
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 3.6451580867171307, total energy = -3.5706936590150313

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: -3.570694
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.645158084691502, total energy = -3.5706936590150318

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: -3.570694
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.6451580818742517, total energy = -3.5706936590150304

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: -3.570694
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 3.6451580872409974, total energy = -3.5706936590150304

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: -3.570694
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 3.645158080756665, total energy = -3.5706936590150318

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: -3.570694
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.6451580742548675, total energy = -3.5706936590150273

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: -3.570694
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 3.6451580794528127, total energy = -3.57069365901503

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: -3.570694
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.6451580743334486, total energy = -3.570693659015028

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: -3.570694
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.6451580807566644, total energy = -3.570693659015029

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: -3.570694
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.6451580844819547, total energy = -3.5706936590150304

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: -3.570694
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.6451580767054095, total energy = -3.5706936590150304

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: -3.570694
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.6451580794528127, total energy = -3.5706936590150304

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: -3.570694
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.645158085669389, total energy = -3.5706936590150318

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 4.762014581007519 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.810079
         Iterations: 83
         Function evaluations: 170
Results for this minimization:
  a = 4.668364999021605, c = 3.9896261216761504, total energy = -3.810079068092403

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 5.059640492320489 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 81
         Function evaluations: 167
Results for this minimization:
  a = 3.645158091731287, c = 5.9525182006248, total energy = -3.570693659015033

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 5.357266403633459 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 3.645158064193981, c = 5.952518310590737, total energy = -3.570693659015024

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 5.654892314946429 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 3.6451580929971445, c = 5.952518192308719, total energy = -3.57069365901503

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 5.952518226259399 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 3.6451580847380787, c = 5.952518226259399, total energy = -3.5706936590150318

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 6.250144137572369 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 73
         Function evaluations: 147
Results for this minimization:
  a = 3.6451580989733623, c = 5.952518169402898, total energy = -3.57069365901503

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 6.547770048885339 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 81
         Function evaluations: 159
Results for this minimization:
  a = 3.645158080387697, c = 5.952518226519075, total energy = -3.570693659015033

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 6.845395960198309 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 77
         Function evaluations: 163
Results for this minimization:
  a = 3.6451580745752876, c = 5.952518232267931, total energy = -3.5706936590150318

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 7.143021871511279 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 78
         Function evaluations: 166
Results for this minimization:
  a = 3.6451580928986855, c = 5.952518190850341, total energy = -3.5706936590150287