Element = Lattice = Model = Element: Si
Lattice: hcp
Model: SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005
Computed model cutoff of 3.543659661263237 Angstroms
Computed isolated atomic energy of 0.0 eV for species Si

==============================================================================
==============================================================================
 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: -11.168512
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.8425169184804004, total energy = -11.168512188098386

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: -11.168512
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.8425169057678423, total energy = -11.16851218809842

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: -11.168512
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8425169102847576, total energy = -11.16851218809841

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: -11.168512
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8425169009598967, total energy = -11.168512188098406

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: -11.168512
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.842516918480399, total energy = -11.16851218809838

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: -11.168512
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.842516901716592, total energy = -11.168512188098408

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: -11.168512
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8425169071182608, total energy = -11.168512188098413

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: -11.168512
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8425169111287687, total energy = -11.168512188098406

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: -11.168512
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8425169080495865, total energy = -11.168512188098395

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: -11.168512
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8425169074907903, total energy = -11.1685121880984

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: -11.168512
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8425169237889354, total energy = -11.168512188098362

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: -11.168512
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.842516899853944, total energy = -11.168512188098399

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: -11.168512
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.842516910750419, total energy = -11.168512188098413

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: -11.168512
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.8425169094000013, total energy = -11.168512188098402

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: -11.168512
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.842516896349844, total energy = -11.168512188098395

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: -11.168512
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.8425169003196054, total energy = -11.168512188098397

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: -11.168512
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 2.8425169106572863, total energy = -11.168512188098397

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: -11.168512
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.842516908131074, total energy = -11.16851218809841

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: -11.168512
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8425169014139096, total energy = -11.168512188098395

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: -11.168512
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.842516905767842, total energy = -11.168512188098413

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: -11.168512
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.842516907281241, total energy = -11.168512188098417

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: -11.168512
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.842516901704947, total energy = -11.1685121880984

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.84251691] Angstroms and c = 3.7134485356619242 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.008959
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 3.532488392272332, c = 3.1369237529167946, total energy = -12.008958562813987

Attempting to perform relaxation using initial lattice constant guess of a = [2.84251691] Angstroms and c = 3.9455390691407946 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 80
         Function evaluations: 169
Results for this minimization:
  a = 2.842516905378616, c = 4.64181068188063, total energy = -11.1685121880984

Attempting to perform relaxation using initial lattice constant guess of a = [2.84251691] Angstroms and c = 4.177629602619665 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.8425169214891435, c = 4.64181062674716, total energy = -11.1685121880984

Attempting to perform relaxation using initial lattice constant guess of a = [2.84251691] Angstroms and c = 4.409720136098535 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.842516902853366, c = 4.641810666009411, total energy = -11.168512188098404

Attempting to perform relaxation using initial lattice constant guess of a = [2.84251691] Angstroms and c = 4.6418106695774055 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.8425169057678423, c = 4.6418106695774055, total energy = -11.168512188098402

Attempting to perform relaxation using initial lattice constant guess of a = [2.84251691] Angstroms and c = 4.873901203056276 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 75
         Function evaluations: 152
Results for this minimization:
  a = 2.8425169206277383, c = 4.641810640188484, total energy = -11.168512188098397

Attempting to perform relaxation using initial lattice constant guess of a = [2.84251691] Angstroms and c = 5.105991736535146 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 79
         Function evaluations: 164
Results for this minimization:
  a = 2.842516898309561, c = 4.641810678900844, total energy = -11.168512188098397

Attempting to perform relaxation using initial lattice constant guess of a = [2.84251691] Angstroms and c = 5.3380822700140165 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 76
         Function evaluations: 154
Results for this minimization:
  a = 2.8425169108126767, c = 4.641810663639136, total energy = -11.168512188098402

Attempting to perform relaxation using initial lattice constant guess of a = [2.84251691] Angstroms and c = 5.570172803492887 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 77
         Function evaluations: 163
Results for this minimization:
  a = 2.842516900387786, c = 4.641810685220992, total energy = -11.168512188098399

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

 Final lattice Constants:
   a = 3.532488392272332 Angstroms, c = 3.1369237529167946 Angstroms, c/a = 0.888021

 Total energy: -12.008958562813987 eV

 Cohesive energy: -3.002239640703497 eV/atom

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