Element = Lattice = Model = Element: Cd
Lattice: hcp
Model: SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002
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: 85
Results for this minimization:
  a = 3.1947083598002823, total energy = -4.531998082959495

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: 44
         Function evaluations: 93
Results for this minimization:
  a = 3.194708367227576, total energy = -4.531998082959489

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: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.1947083675768226, total energy = -4.531998082959489

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: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.1947083589620964, total energy = -4.531998082959492

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: 79
Results for this minimization:
  a = 3.194708363665271, 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: 84
Results for this minimization:
  a = 3.1947083555161977, total energy = -4.531998082959492

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 = 3.194708359939977, total energy = -4.531998082959495

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: 79
Results for this minimization:
  a = 3.194708352908492, total energy = -4.531998082959488

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 = 3.1947083635255726, total energy = -4.531998082959492

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: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.194708365696717, 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 = 3.194708347320556, total energy = -4.531998082959484

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.1947083603474304, total energy = -4.531998082959493

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: 78
Results for this minimization:
  a = 3.194708352908492, total energy = -4.531998082959489

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.1947083598584873, total energy = -4.531998082959494

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: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.194708359858488, total energy = -4.531998082959493

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: 70
Results for this minimization:
  a = 3.194708359241486, total energy = -4.531998082959494

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: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.194708362687379, total energy = -4.531998082959491

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: 68
Results for this minimization:
  a = 3.194708365481347, total energy = -4.53199808295949

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: 69
Results for this minimization:
  a = 3.194708355516196, total energy = -4.5319980829594915

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.1947083582170306, total energy = -4.531998082959492

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: 71
Results for this minimization:
  a = 3.1947083517909043, total energy = -4.53199808295949

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: 73
Results for this minimization:
  a = 3.1947083599865422, total energy = -4.5319980829594915

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 = 3.1947083612903953, total energy = -4.531998082959493

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 = 3.1947083653532884, total energy = -4.531998082959491

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: 74
Results for this minimization:
  a = 3.194708359241484, total energy = -4.5319980829594915

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.19470836] Angstroms and c = 4.1735495245410466 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 80
         Function evaluations: 161
Results for this minimization:
  a = 3.194708363045585, c = 5.216936897974048, total energy = -4.531998082959492

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470836] Angstroms and c = 4.434396369824862 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 3.194708349614227, c = 5.216936941195945, total energy = -4.53199808295949

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470836] Angstroms and c = 4.695243215108677 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 3.194708371390088, c = 5.216936884021774, total energy = -4.531998082959491

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470836] Angstroms and c = 4.9560900603924924 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 3.1947083555777125, c = 5.216936929915209, total energy = -4.531998082959491

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470836] Angstroms and c = 5.216936905676308 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 3.194708367800781, c = 5.216936889053192, total energy = -4.5319980829594915

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470836] Angstroms and c = 5.477783750960123 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 70
         Function evaluations: 144
Results for this minimization:
  a = 3.194708362586185, c = 5.216936918074823, total energy = -4.5319980829594915

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470836] Angstroms and c = 5.738630596243938 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 76
         Function evaluations: 155
Results for this minimization:
  a = 3.1947083577967725, c = 5.216936930760127, total energy = -4.531998082959492

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470836] Angstroms and c = 5.999477441527754 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 3.194708353947134, c = 5.216936914157046, total energy = -4.5319980829594915

Attempting to perform relaxation using initial lattice constant guess of a = [3.19470836] Angstroms and c = 6.260324286811569 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.531998
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 3.194708361068122, c = 5.216936900099836, total energy = -4.531998082959493

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

 Final lattice Constants:
   a = [3.19470836] Angstroms, c = [5.21693691] Angstroms, c/a = 1.632993

 Total energy: -4.531998082959495 eV

 Cohesive energy: -1.1329995207398738 eV/atom

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