Element = Lattice = Model = Element: Zn
Lattice: hcp
Model: SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002
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: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.834790970478211, total energy = -5.299986526446106

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: 81
Results for this minimization:
  a = 2.834790977463126, total energy = -5.299986526446107

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: 81
Results for this minimization:
  a = 2.8347909740405157, total energy = -5.299986526446105

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 = 2.834790983423597, total energy = -5.2999865264461015

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: 82
Results for this minimization:
  a = 2.8347909827716693, total energy = -5.299986526446107

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: 78
Results for this minimization:
  a = 2.834790977090598, total energy = -5.299986526446108

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: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.834790977300145, total energy = -5.299986526446106

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8347909740405157, total energy = -5.299986526446104

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.834790972620252, total energy = -5.299986526446103

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: 35
         Function evaluations: 71
Results for this minimization:
  a = 2.8347909764153894, total energy = -5.2999865264461015

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: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8347909770440314, total energy = -5.299986526446106

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: 72
Results for this minimization:
  a = 2.8347909796284507, total energy = -5.299986526446107

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8347909674048424, total energy = -5.299986526446096

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: 71
Results for this minimization:
  a = 2.834790977463127, total energy = -5.299986526446104

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: 68
Results for this minimization:
  a = 2.834790977276862, total energy = -5.299986526446105

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: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.834790977090597, total energy = -5.299986526446107

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: 69
Results for this minimization:
  a = 2.834790976205841, total energy = -5.299986526446105

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: 75
Results for this minimization:
  a = 2.8347909706644714, total energy = -5.299986526446099

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: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8347909770905964, total energy = -5.299986526446106

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: 76
Results for this minimization:
  a = 2.8347909770440305, total energy = -5.299986526446107

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8347909839823826, total energy = -5.299986526446104

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8347909771837285, total energy = -5.299986526446102

==============================================================================
==============================================================================
 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 = 3.703355424702786 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 73
         Function evaluations: 148
Results for this minimization:
  a = 2.8347909782733716, c = 4.629194287997123, total energy = -5.299986526446109

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 3.93481513874671 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 2.834790978890533, c = 4.62919429418257, total energy = -5.299986526446108

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 4.166274852790634 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.8347909773585798, c = 4.629194279654231, total energy = -5.299986526446106

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 4.397734566834558 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 63
         Function evaluations: 138
Results for this minimization:
  a = 2.834790980010996, c = 4.629194285976901, total energy = -5.299986526446107

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 4.629194280878482 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 61
         Function evaluations: 132
Results for this minimization:
  a = 2.8347909781066063, c = 4.629194282110366, total energy = -5.299986526446108

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 4.860653994922407 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 74
         Function evaluations: 150
Results for this minimization:
  a = 2.8347909728906844, c = 4.629194292636959, total energy = -5.299986526446105

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 5.09211370896633 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 75
         Function evaluations: 153
Results for this minimization:
  a = 2.8347909791223778, c = 4.6291942825095855, total energy = -5.299986526446105

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 5.323573423010254 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.8347909802031164, c = 4.629194276016986, total energy = -5.299986526446105

Attempting to perform relaxation using initial lattice constant guess of a = [2.83479098] Angstroms and c = 5.555033137054179 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.299987
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.8347909778546434, c = 4.62919428344293, total energy = -5.299986526446108

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

 Final lattice Constants:
   a = 2.8347909782733716 Angstroms, c = 4.629194287997123 Angstroms, c/a = 1.632993

 Total energy: -5.299986526446109 eV

 Cohesive energy: -1.3249966316115271 eV/atom

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