Element = Lattice = Model = Element: Zn
Lattice: hcp
Model: SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
Computed model cutoff of 3.550047944486151 Angstroms
Computed isolated atomic energy of 0.0 eV for species Zn

==============================================================================
==============================================================================
 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: -5.299987
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 2.834790970478211, total energy = -5.299986526446109

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: -5.299987
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8347909741103647, total energy = -5.2999865264461095

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: -5.299987
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8347909895237535, total energy = -5.299986526446103

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: -5.299987
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8347909823991424, total energy = -5.299986526446109

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: -5.299987
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.8347909769043373, total energy = -5.2999865264461095

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: -5.299987
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8347909795120367, total energy = -5.2999865264461095

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: -5.299987
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.834790976648219, total energy = -5.299986526446111

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: -5.299987
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.834790973342024, total energy = -5.299986526446108

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: -5.299987
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.8347909836098575, total energy = -5.299986526446107

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: -5.299987
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.8347909764153894, total energy = -5.299986526446111

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: -5.299987
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8347909736912706, total energy = -5.299986526446109

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: -5.299987
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.8347909796284507, total energy = -5.2999865264461175

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: -5.299987
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.8347909862641245, total energy = -5.299986526446109

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: -5.299987
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.834790969640017, total energy = -5.2999865264461015

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: -5.299987
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.8347909803502267, total energy = -5.299986526446115

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: -5.299987
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.8347909760195757, total energy = -5.2999865264461095

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: -5.299987
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8347909763455394, total energy = -5.299986526446119

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: -5.299987
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8347909706644714, total energy = -5.299986526446103

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: -5.299987
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8347909795120354, total energy = -5.29998652644611

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: -5.299987
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.834790971071924, total energy = -5.299986526446102

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: -5.299987
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8347909803967912, total energy = -5.299986526446111

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: -5.299987
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8347909765085193, total energy = -5.299986526446109

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 3.7033554237294455 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.834790980892088, c = 4.629194286342962, total energy = -5.299986526446119

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 3.934815137712536 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 83
         Function evaluations: 165
Results for this minimization:
  a = 2.83479098170916, c = 4.629194272784066, total energy = -5.299986526446114

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 4.1662748516956265 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.8347909676257292, c = 4.629194340755382, total energy = -5.299986526446106

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 4.397734565678717 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.8347909870060537, c = 4.629194251267856, total energy = -5.29998652644611

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 4.6291942796618075 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 67
         Function evaluations: 139
Results for this minimization:
  a = 2.8347909763455394, c = 4.6291942796618075, total energy = -5.299986526446112

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 4.860653993644898 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 71
         Function evaluations: 144
Results for this minimization:
  a = 2.8347909737060197, c = 4.629194281505308, total energy = -5.2999865264461095

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 5.0921137076279885 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.8347909675532947, c = 4.62919430625333, total energy = -5.299986526446107

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 5.323573421611079 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 2.834790978183938, c = 4.629194287816551, total energy = -5.299986526446115

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 5.55503313559417 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 77
         Function evaluations: 153
Results for this minimization:
  a = 2.834790966582278, c = 4.6291943335972245, total energy = -5.299986526446109

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

 Final lattice Constants:
   a = [2.83479098] Angstroms, c = [4.62919428] Angstroms, c/a = 1.632993

 Total energy: -5.299986526446119 eV

 Cohesive energy: -1.3249966316115298 eV/atom

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