Element = Lattice = Model = Element: Si
Lattice: hcp
Model: SW_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_004
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: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.932076202332978, total energy = -16.82761236848386

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: 83
Results for this minimization:
  a = 2.932076202984899, 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: 83
Results for this minimization:
  a = 2.9320762008428574, total energy = -16.827612368483855

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: 80
Results for this minimization:
  a = 2.932076199282899, total energy = -16.82761236848386

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 = 2.932076199282896, total energy = -16.82761236848385

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: 77
Results for this minimization:
  a = 2.9320761993527427, total energy = -16.82761236848385

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: 77
Results for this minimization:
  a = 2.9320761985261927, total energy = -16.827612368483855

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.9320761929266155, total energy = -16.82761236848385

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.932076199352744, total energy = -16.82761236848385

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: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.932076200190932, total energy = -16.82761236848384

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: 75
Results for this minimization:
  a = 2.9320761979557584, total energy = -16.827612368483848

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.932076193252577, 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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9320762116462, total energy = -16.827612368483834

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: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.9320762015879156, total energy = -16.82761236848384

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 = 2.932076207501814, total energy = -16.827612368483845

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 = 2.9320761999115343, total energy = -16.827612368483862

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: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.9320761968847364, total energy = -16.827612368483862

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: 74
Results for this minimization:
  a = 2.932076199352741, total energy = -16.827612368483848

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: 70
Results for this minimization:
  a = 2.9320761981129175, total energy = -16.827612368483855

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: 73
Results for this minimization:
  a = 2.932076197955757, total energy = -16.827612368483848

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: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.9320762055402145, total energy = -16.827612368483848

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 = 2.9320761943235993, total energy = -16.82761236848386

==============================================================================
==============================================================================
 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 = 3.830448307595724 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.236459
         Iterations: 96
         Function evaluations: 194
Results for this minimization:
  a = 3.6470174946633334, c = 3.2240002295747896, total energy = -17.236458733404554

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.069851326820457 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 2.9320761954295795, c = 4.788060383768151, total energy = -16.82761236848385

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.30925434604519 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.9320762042364503, c = 4.7880603956856955, total energy = -16.827612368483848

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.548657365269922 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.932076180896737, c = 4.788060439705574, total energy = -16.827612368483845

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.7880603844946545 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 62
         Function evaluations: 133
Results for this minimization:
  a = 2.9320762041983928, c = 4.788060375115938, total energy = -16.827612368483845

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.027463403719388 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 78
         Function evaluations: 156
Results for this minimization:
  a = 2.9320761886516973, c = 4.788060430013362, total energy = -16.82761236848384

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.266866422944121 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.932076197344471, c = 4.788060382703138, total energy = -16.82761236848385

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.506269442168853 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 2.9320761863361984, c = 4.788060411092924, total energy = -16.827612368483845

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.7456724613935855 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.827612
         Iterations: 77
         Function evaluations: 164
Results for this minimization:
  a = 2.932076210204958, c = 4.788060373694435, total energy = -16.827612368483837

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

 Final lattice Constants:
   a = 3.6470174946633334 Angstroms, c = 3.2240002295747896 Angstroms, c/a = 0.884010

 Total energy: -17.236458733404554 eV

 Cohesive energy: -4.3091146833511385 eV/atom

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