Element = Lattice = Model = Element: Cd
Lattice: hcp
Model: SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
Computed model cutoff of 3.9989334404468537 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: -4.531998
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.1947083603590767, total energy = -4.531998082959498

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: -4.531998
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.194708363665267, total energy = -4.531998082959496

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: -4.531998
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.1947083657141775, total energy = -4.531998082959497

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: -4.531998
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.1947083620354606, total energy = -4.531998082959498

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: -4.531998
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1947083565406533, total energy = -4.531998082959492

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: -4.531998
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.1947083603590753, total energy = -4.531998082959498

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: -4.531998
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1947083530947564, total energy = -4.531998082959493

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: -4.531998
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1947083501145244, total energy = -4.531998082959491

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: -4.531998
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.1947083603590767, total energy = -4.531998082959496

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: -4.531998
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.194708349369468, total energy = -4.53199808295949

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: -4.531998
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.194708360522054, total energy = -4.5319980829594995

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: -4.531998
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.194708361010998, total energy = -4.531998082959499

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: -4.531998
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.194708364782855, total energy = -4.531998082959498

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: -4.531998
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.1947083664592357, total energy = -4.5319980829595

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: -4.531998
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.1947083620354544, total energy = -4.531998082959499

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: -4.531998
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.194708359241486, total energy = -4.531998082959493

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: -4.531998
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.194708361290395, total energy = -4.5319980829595

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: -4.531998
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 3.1947083673003362, total energy = -4.531998082959495

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: -4.531998
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.1947083603590736, total energy = -4.531998082959499

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: -4.531998
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.1947083582170306, total energy = -4.531998082959498

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: -4.531998
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.1947083514649415, total energy = -4.531998082959493

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: -4.531998
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.194708362687378, total energy = -4.531998082959492

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: -4.531998
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.1947083508130163, total energy = -4.531998082959496

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: -4.531998
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 3.194708359579088, total energy = -4.531998082959499

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: -4.531998
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.1947083599865413, total energy = -4.531998082959498

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.19470837] Angstroms and c = 4.1735495332402675 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 76
         Function evaluations: 155
Results for this minimization:
  a = 3.194708364668122, c = 5.216936902379787, total energy = -4.5319980829595

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470837] Angstroms and c = 4.434396379067784 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 78
         Function evaluations: 155
Results for this minimization:
  a = 3.194708372722515, c = 5.216936900585241, total energy = -4.5319980829594915

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470837] Angstroms and c = 4.6952432248953 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 3.194708347926418, c = 5.216936939154792, total energy = -4.531998082959496

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470837] Angstroms and c = 4.956090070722817 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 3.1947083446527387, c = 5.216936959482171, total energy = -4.531998082959494

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470837] Angstroms and c = 5.216936916550333 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 3.194708361740677, c = 5.216936921873895, total energy = -4.531998082959498

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470837] Angstroms and c = 5.477783762377849 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 68
         Function evaluations: 141
Results for this minimization:
  a = 3.194708364800763, c = 5.216936930256915, total energy = -4.531998082959494

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470837] Angstroms and c = 5.738630608205366 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 79
         Function evaluations: 165
Results for this minimization:
  a = 3.194708353850317, c = 5.216936933432464, total energy = -4.531998082959499

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470837] Angstroms and c = 5.999477454032882 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 3.1947083547690105, c = 5.216936919447457, total energy = -4.5319980829595

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470837] Angstroms and c = 6.2603242998603985 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 79
         Function evaluations: 159
Results for this minimization:
  a = 3.1947083635633513, c = 5.216936911864228, total energy = -4.531998082959498

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

 Final lattice Constants:
   a = [3.19470837] Angstroms, c = [5.21693692] Angstroms, c/a = 1.632993

 Total energy: -4.5319980829595 eV

 Cohesive energy: -1.132999520739875 eV/atom

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