Element = Lattice = Model = Element: Te
Lattice: hcp
Model: SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002
Computed model cutoff of 4.556732927821608 Angstroms
Computed isolated atomic energy of 0.0 eV for species Te

==============================================================================
==============================================================================
 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: -8.676004
         Iterations: 44
         Function evaluations: 92
Results for this minimization:
  a = 3.6359433650970505, total energy = -8.676003898818673

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: -8.676004
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.6359433609992253, total energy = -8.676003898818669

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: -8.676004
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 3.6359433645848185, total energy = -8.676003898818673

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: -8.676004
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.635943361185501, total energy = -8.676003898818669

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: -8.676004
         Iterations: 41
         Function evaluations: 84
Results for this minimization:
  a = 3.635943355550995, total energy = -8.676003898818664

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: -8.676004
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.635943364875859, total energy = -8.676003898818662

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: -8.676004
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.635943362489342, total energy = -8.676003898818669

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: -8.676004
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.635943353176117, total energy = -8.676003898818662

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: -8.676004
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6359433665871657, total energy = -8.676003898818673

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: -8.676004
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6359433645382535, total energy = -8.676003898818673

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: -8.676004
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6359433701145467, total energy = -8.676003898818673

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: -8.676004
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.6359433512203374, total energy = -8.67600389881866

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: -8.676004
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.635943360859528, total energy = -8.676003898818667

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: -8.676004
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.635943358903753, total energy = -8.676003898818669

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: -8.676004
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.635943363106347, total energy = -8.676003898818673

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: -8.676004
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.635943360743113, total energy = -8.676003898818664

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: -8.676004
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.6359433686826392, total energy = -8.676003898818667

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: -8.676004
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.635943355038762, total energy = -8.676003898818664

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: -8.676004
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.635943363513798, total energy = -8.676003898818664

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: -8.676004
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.635943364351988, total energy = -8.676003898818664

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: -8.676004
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.635943363467231, total energy = -8.676003898818664

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: -8.676004
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.6359433626290407, total energy = -8.676003898818667

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: -8.676004
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.6359433587640524, total energy = -8.676003898818664

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: -8.676004
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.6359433607198293, total energy = -8.676003898818664

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: -8.676004
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.635943353176116, total energy = -8.676003898818657

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: -8.676004
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.635943357952056, total energy = -8.676003898818669

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: -8.676004
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.635943362955003, total energy = -8.676003898818665

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: -8.676004
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.635943360859528, total energy = -8.67600389881866

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: -8.676004
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.6359433677047477, total energy = -8.676003898818662

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: -8.676004
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6359433549601805, total energy = -8.676003898818662

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.63594337] Angstroms and c = 4.749976521677748 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.676004
         Iterations: 79
         Function evaluations: 165
Results for this minimization:
  a = 3.6359433614932986, c = 5.937470654013809, total energy = -8.676003898818667

Attempting to perform relaxation using initial lattice constant guess of a = [3.63594337] Angstroms and c = 5.046850054282608 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.676004
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 3.635943361143167, c = 5.937470660430707, total energy = -8.676003898818667

Attempting to perform relaxation using initial lattice constant guess of a = [3.63594337] Angstroms and c = 5.343723586887467 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.676004
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 3.635943359595956, c = 5.9374706430979, total energy = -8.676003898818665

Attempting to perform relaxation using initial lattice constant guess of a = [3.63594337] Angstroms and c = 5.640597119492327 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.676004
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 3.6359433610036116, c = 5.9374706669978625, total energy = -8.676003898818667

Attempting to perform relaxation using initial lattice constant guess of a = [3.63594337] Angstroms and c = 5.937470652097186 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.676004
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 3.635943346723221, c = 5.937470675289434, total energy = -8.676003898818665

Attempting to perform relaxation using initial lattice constant guess of a = [3.63594337] Angstroms and c = 6.234344184702046 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.676004
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 3.635943355397492, c = 5.937470688407515, total energy = -8.676003898818665

Attempting to perform relaxation using initial lattice constant guess of a = [3.63594337] Angstroms and c = 6.531217717306905 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.676004
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 3.6359433519629314, c = 5.937470686069743, total energy = -8.676003898818664

Attempting to perform relaxation using initial lattice constant guess of a = [3.63594337] Angstroms and c = 6.828091249911765 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.676004
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 3.6359433743459704, c = 5.937470613561819, total energy = -8.676003898818665

Attempting to perform relaxation using initial lattice constant guess of a = [3.63594337] Angstroms and c = 7.124964782516624 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.676004
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 3.6359433587900494, c = 5.937470638036867, total energy = -8.676003898818665

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

 Final lattice Constants:
   a = [3.63594337] Angstroms, c = [5.93747065] Angstroms, c/a = 1.632993

 Total energy: -8.676003898818673 eV

 Cohesive energy: -2.169000974704668 eV/atom

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