Element = Lattice = Model = Element: Si
Lattice: hcp
Model: SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_004
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 = 2.8425169079564556, total energy = -11.16851218809839

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 = 2.8425169116351743, total energy = -11.16851218809839

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8425169065594673, total energy = -11.168512188098394

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: 82
Results for this minimization:
  a = 2.8425169009598967, total energy = -11.168512188098386

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: 77
Results for this minimization:
  a = 2.8425169039517675, total energy = -11.168512188098397

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 = 2.842516906483799, total energy = -11.168512188098392

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: 74
Results for this minimization:
  a = 2.842516908259131, total energy = -11.168512188098386

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: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.842516908509424, total energy = -11.16851218809839

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: 76
Results for this minimization:
  a = 2.8425169066526026, total energy = -11.168512188098394

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: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.842516907490791, total energy = -11.16851218809839

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8425169079157064, total energy = -11.168512188098388

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: 74
Results for this minimization:
  a = 2.84251690339297, total energy = -11.168512188098392

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: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8425169065594673, total energy = -11.168512188098394

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: 72
Results for this minimization:
  a = 2.8425169096444742, total energy = -11.168512188098386

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: 66
Results for this minimization:
  a = 2.8425169039051985, total energy = -11.16851218809839

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: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.8425169088877738, total energy = -11.168512188098392

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 = -11.168512188098388

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 = 2.842516907840036, total energy = -11.168512188098386

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: 75
Results for this minimization:
  a = 2.842516904743387, 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: 75
Results for this minimization:
  a = 2.8425168994814145, total energy = -11.168512188098383

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 = 2.8425169072812415, total energy = -11.168512188098395

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8425169060938043, total energy = -11.168512188098397

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.8425169] Angstroms and c = 3.713448533289414 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.008959
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 3.5324884221064945, c = 3.136923759532664, total energy = -12.008958562813971

Attempting to perform relaxation using initial lattice constant guess of a = [2.8425169] Angstroms and c = 3.9455390666200025 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 84
         Function evaluations: 175
Results for this minimization:
  a = 2.8425169135119024, c = 4.641810642958354, total energy = -11.168512188098394

Attempting to perform relaxation using initial lattice constant guess of a = [2.8425169] Angstroms and c = 4.177629599950591 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.8425169017943577, c = 4.6418106817041265, total energy = -11.168512188098394

Attempting to perform relaxation using initial lattice constant guess of a = [2.8425169] Angstroms and c = 4.40972013328118 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 63
         Function evaluations: 137
Results for this minimization:
  a = 2.842516924943118, c = 4.641810625983534, total energy = -11.168512188098394

Attempting to perform relaxation using initial lattice constant guess of a = [2.8425169] Angstroms and c = 4.641810666611768 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 75
         Function evaluations: 153
Results for this minimization:
  a = 2.84251692165774, c = 4.641810613771473, total energy = -11.168512188098392

Attempting to perform relaxation using initial lattice constant guess of a = [2.8425169] Angstroms and c = 4.873901199942356 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 74
         Function evaluations: 152
Results for this minimization:
  a = 2.842516897965409, c = 4.641810663326195, total energy = -11.168512188098385

Attempting to perform relaxation using initial lattice constant guess of a = [2.8425169] Angstroms and c = 5.105991733272945 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 2.8425169121801437, c = 4.641810643125736, total energy = -11.1685121880984

Attempting to perform relaxation using initial lattice constant guess of a = [2.8425169] Angstroms and c = 5.338082266603534 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.8425169075373464, c = 4.64181064767338, total energy = -11.168512188098386

Attempting to perform relaxation using initial lattice constant guess of a = [2.8425169] Angstroms and c = 5.570172799934122 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.168512
         Iterations: 81
         Function evaluations: 165
Results for this minimization:
  a = 2.8425169048483414, c = 4.641810671485107, total energy = -11.168512188098395

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

 Final lattice Constants:
   a = 3.5324884221064945 Angstroms, c = 3.136923759532664 Angstroms, c/a = 0.888021

 Total energy: -12.008958562813971 eV

 Cohesive energy: -3.002239640703493 eV/atom

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