Element = Lattice = Model = Element: Si
Lattice: hcp
Model: SW_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_005
Computed model cutoff of 3.717145432829863 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: -16.827612
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.9320761978626293, total energy = -16.827612368483873

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: -16.827612
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9320762021467086, total energy = -16.827612368483855

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: -16.827612
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9320762008428574, total energy = -16.82761236848384

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: -16.827612
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9320762087591055, total energy = -16.827612368483848

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: -16.827612
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9320761982351584, total energy = -16.827612368483862

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: -16.827612
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9320761993527427, total energy = -16.827612368483855

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: -16.827612
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.932076193066314, total energy = -16.827612368483848

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: -16.827612
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9320762027055025, total energy = -16.827612368483848

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: -16.827612
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.932076196372511, total energy = -16.827612368483855

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: -16.827612
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.9320762040501, total energy = -16.827612368483855

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: -16.827612
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9320762038230903, total energy = -16.827612368483845

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: -16.827612
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9320762082934366, total energy = -16.827612368483845

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: -16.827612
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9320762008428574, total energy = -16.82761236848385

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: -16.827612
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.932076201745077, total energy = -16.82761236848385

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: -16.827612
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9320761950570153, total energy = -16.827612368483845

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: -16.827612
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9320762042887507, total energy = -16.827612368483855

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: -16.827612
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.932076199352741, total energy = -16.827612368483866

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: -16.827612
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.932076195720583, total energy = -16.827612368483845

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: -16.827612
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.93207620086614, total energy = -16.82761236848386

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: -16.827612
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9320762029848986, total energy = -16.827612368483848

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: -16.827612
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.93207619274035, total energy = -16.827612368483855

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: -16.827612
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9320762016577633, total energy = -16.82761236848386

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: -16.827612
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.932076207594946, total energy = -16.827612368483855

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 3.830448304919046 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.236459
         Iterations: 93
         Function evaluations: 189
Results for this minimization:
  a = 3.647017578081376, c = 3.2240001892177075, total energy = -17.236458733404575

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.069851323976486 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 75
         Function evaluations: 161
Results for this minimization:
  a = 2.932076192280303, c = 4.788060387855181, total energy = -16.827612368483855

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.309254343033927 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 2.932076203828784, c = 4.788060394051878, total energy = -16.82761236848386

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.548657362091367 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.932076194853763, c = 4.788060396551048, total energy = -16.827612368483866

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.788060381148807 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.932076196349267, c = 4.788060385228196, total energy = -16.827612368483866

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.027463400206248 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 75
         Function evaluations: 153
Results for this minimization:
  a = 2.932076202139878, c = 4.788060385934809, total energy = -16.827612368483866

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.266866419263688 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 74
         Function evaluations: 151
Results for this minimization:
  a = 2.9320761975490406, c = 4.788060397271316, total energy = -16.827612368483855

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.506269438321128 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.9320762007261933, c = 4.788060375057389, total energy = -16.827612368483862

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.745672457378569 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 2.9320762135928513, c = 4.788060348290201, total energy = -16.82761236848385

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

 Final lattice Constants:
   a = 3.647017578081376 Angstroms, c = 3.2240001892177075 Angstroms, c/a = 0.884010

 Total energy: -17.236458733404575 eV

 Cohesive energy: -4.309114683351144 eV/atom

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