Element = Lattice = Model = Element: Te
Lattice: hcp
Model: SW_WangStroudMarkworth_1989_CdTe__MO_786496821446_000
Computed model cutoff of 4.452121454291079 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: -8.217414
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.5278842923231477, total energy = -8.21741382137769

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: -8.217414
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.5278842953033736, total energy = -8.217413821377688

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: -8.217414
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.527884304523468, total energy = -8.217413821377676

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: -8.217414
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.5278842899424587, total energy = -8.217413821377693

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: -8.217414
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.5278842978179505, total energy = -8.217413821377686

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: -8.217414
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.5278842863626805, total energy = -8.21741382137769

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: -8.217414
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5278842851519574, total energy = -8.217413821377688

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: -8.217414
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.5278842819971032, total energy = -8.217413821377681

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: -8.217414
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.527884298563007, total energy = -8.217413821377686

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: -8.217414
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 3.5278842871543032, total energy = -8.217413821377685

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: -8.217414
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.5278842978179457, total energy = -8.217413821377681

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: -8.217414
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.52788427841733, total energy = -8.217413821377681

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: -8.217414
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.5278842858970165, total energy = -8.217413821377683

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: -8.217414
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.5278842953383007, total energy = -8.217413821377686

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: -8.217414
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.527884299866858, total energy = -8.217413821377683

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: -8.217414
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.5278842849424112, total energy = -8.217413821377683

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: -8.217414
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.5278842888772495, total energy = -8.217413821377685

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: -8.217414
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.5278842877596617, total energy = -8.217413821377681

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: -8.217414
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.5278842853032986, total energy = -8.217413821377685

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: -8.217414
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.527884293836542, total energy = -8.217413821377685

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: -8.217414
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.5278842968866218, total energy = -8.21741382137768

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: -8.217414
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 3.5278842917759903, total energy = -8.217413821377683

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: -8.217414
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.527884284965694, total energy = -8.217413821377678

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: -8.217414
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.5278842904372136, total energy = -8.217413821377683

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: -8.217414
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.5278842911124224, total energy = -8.217413821377681

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: -8.217414
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 3.5278842932078995, total energy = -8.217413821377683

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: -8.217414
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.527884297445415, total energy = -8.21741382137768

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: -8.217414
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.5278842869447544, total energy = -8.217413821377685

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: -8.217414
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.5278842944651814, total energy = -8.21741382137769

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.52788429] Angstroms and c = 4.60880873703465 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.217414
         Iterations: 79
         Function evaluations: 165
Results for this minimization:
  a = 3.527884289561709, c = 5.761010957475315, total energy = -8.217413821377683

Attempting to perform relaxation using initial lattice constant guess of a = [3.52788429] Angstroms and c = 4.896859283099316 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.217414
         Iterations: 84
         Function evaluations: 175
Results for this minimization:
  a = 3.5278842865201603, c = 5.761010944749143, total energy = -8.217413821377683

Attempting to perform relaxation using initial lattice constant guess of a = [3.52788429] Angstroms and c = 5.184909829163981 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.217414
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 3.527884286221691, c = 5.761010946016636, total energy = -8.217413821377688

Attempting to perform relaxation using initial lattice constant guess of a = [3.52788429] Angstroms and c = 5.472960375228647 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.217414
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 3.5278842914544426, c = 5.761010920882956, total energy = -8.217413821377685

Attempting to perform relaxation using initial lattice constant guess of a = [3.52788429] Angstroms and c = 5.7610109212933125 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.217414
         Iterations: 63
         Function evaluations: 140
Results for this minimization:
  a = 3.5278842735286133, c = 5.761010990807341, total energy = -8.217413821377686

Attempting to perform relaxation using initial lattice constant guess of a = [3.52788429] Angstroms and c = 6.049061467357978 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.217414
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 3.527884290382087, c = 5.761010914318209, total energy = -8.217413821377683

Attempting to perform relaxation using initial lattice constant guess of a = [3.52788429] Angstroms and c = 6.337112013422644 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.217414
         Iterations: 78
         Function evaluations: 160
Results for this minimization:
  a = 3.527884291789725, c = 5.761010897418846, total energy = -8.217413821377686

Attempting to perform relaxation using initial lattice constant guess of a = [3.52788429] Angstroms and c = 6.625162559487309 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.217414
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 3.5278842925021046, c = 5.761010908829725, total energy = -8.217413821377688

Attempting to perform relaxation using initial lattice constant guess of a = [3.52788429] Angstroms and c = 6.913213105551975 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.217414
         Iterations: 77
         Function evaluations: 165
Results for this minimization:
  a = 3.5278842855694457, c = 5.76101091608173, total energy = -8.217413821377686

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

 Final lattice Constants:
   a = [3.52788429] Angstroms, c = [5.76101092] Angstroms, c/a = 1.632993

 Total energy: -8.217413821377693 eV

 Cohesive energy: -2.0543534553444234 eV/atom

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