Element = Lattice = Model = Element: Si
Lattice: hcp
Model: ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000
Computed model cutoff of 5.999999993890524 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: -17.391933
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8817510098218957, total energy = -17.39193255625164

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: -17.391933
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8817510157823563, total energy = -17.39193255625165

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: -17.391933
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8817510618828237, total energy = -17.391932556251774

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: -17.391933
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.881751054525382, total energy = -17.391932556251678

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: -17.391933
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8817510648164926, total energy = -17.391932556251717

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: -17.391933
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8817510128021255, total energy = -17.391932556251653

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: -17.391933
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8817510157823567, total energy = -17.391932556251636

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: -17.391933
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.8817510157823563, total energy = -17.39193255625165

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: -17.391933
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.881751015782359, total energy = -17.39193255625165

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: -17.391933
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.881751034234186, total energy = -17.391932556251632

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: -17.391933
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.881751015782357, total energy = -17.391932556251643

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: -17.391933
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.88175106125418, total energy = -17.391932556251703

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: -17.391933
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8817510618828237, total energy = -17.391932556251778

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: -17.391933
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.8817510157823563, total energy = -17.39193255625163

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: -17.391933
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.8817510545253757, total energy = -17.39193255625169

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: -17.391933
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8817510462133207, total energy = -17.391932556251668

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: -17.391933
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8817510655149823, total energy = -17.39193255625168

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: -17.391933
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.881751061795512, total energy = -17.39193255625171

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: -17.391933
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8817510128021238, total energy = -17.39193255625165

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: -17.391933
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8817510170396408, total energy = -17.39193255625164

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: -17.391933
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.881751015782356, total energy = -17.391932556251618

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: -17.391933
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8817510597407807, total energy = -17.391932556251614

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: -17.391933
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8817510157823563, total energy = -17.391932556251653

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: -17.391933
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.881751025188712, total energy = -17.39193255625158

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: -17.391933
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8817510128021233, total energy = -17.391932556251657

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: -17.391933
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.881751044664999, total energy = -17.39193255625182

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: -17.391933
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8817510341352293, total energy = -17.391932556251618

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: -17.391933
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.8817510157823563, total energy = -17.39193255625162

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: -17.391933
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.881751062930557, total energy = -17.391932556251678

Attempting to perform relaxation using initial lattice constant guess of a = 4.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.391933
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.881751052074832, total energy = -17.391932556251692

Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.391933
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.881751065014398, total energy = -17.39193255625175

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.391933
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.881751011591402, total energy = -17.391932556251575

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.391933
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8817510618828237, total energy = -17.391932556251742

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.391933
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.881751061580139, total energy = -17.391932556251767

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.391933
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 2.8817510157823545, total energy = -17.39193255625161

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.391933
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8817510597800737, total energy = -17.391932556251657

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.391933
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.881751054525372, total energy = -17.3919325562517

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.391933
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.881751019973308, total energy = -17.39193255625166

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.391933
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8817510626802627, total energy = -17.39193255625173

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.391933
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8817510228604064, total energy = -17.39193255625156

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.391933
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.881751065584824, total energy = -17.39193255625169

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.88175104] Angstroms and c = 3.7647038000861994 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.208520
         Iterations: 91
         Function evaluations: 191
Results for this minimization:
  a = 3.972562337595625, c = 2.7204876663060045, total energy = -18.208520187059158

Attempting to perform relaxation using initial lattice constant guess of a = [2.88175104] Angstroms and c = 3.999997787591587 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.392204
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.875483560989948, c = 4.726367181610154, total energy = -17.39220422928983

Attempting to perform relaxation using initial lattice constant guess of a = [2.88175104] Angstroms and c = 4.235291775096975 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.392204
         Iterations: 63
         Function evaluations: 138
Results for this minimization:
  a = 2.8754834914961096, c = 4.726367344596397, total energy = -17.39220422928998

Attempting to perform relaxation using initial lattice constant guess of a = [2.88175104] Angstroms and c = 4.470585762602362 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.392204
         Iterations: 62
         Function evaluations: 137
Results for this minimization:
  a = 2.8754835517247046, c = 4.72636725202611, total energy = -17.39220422928988

Attempting to perform relaxation using initial lattice constant guess of a = [2.88175104] Angstroms and c = 4.70587975010775 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.392204
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.8754835027142795, c = 4.7263673258571695, total energy = -17.392204229289934

Attempting to perform relaxation using initial lattice constant guess of a = [2.88175104] Angstroms and c = 4.941173737613138 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.392204
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.8754834716942197, c = 4.726367442030478, total energy = -17.392204229289852

Attempting to perform relaxation using initial lattice constant guess of a = [2.88175104] Angstroms and c = 5.176467725118526 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.392204
         Iterations: 66
         Function evaluations: 147
Results for this minimization:
  a = 2.87548351390536, c = 4.726367316434884, total energy = -17.392204229289938

Attempting to perform relaxation using initial lattice constant guess of a = [2.88175104] Angstroms and c = 5.411761712623913 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.392204
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.8754834887127063, c = 4.726367428350725, total energy = -17.392204229289973

Attempting to perform relaxation using initial lattice constant guess of a = [2.88175104] Angstroms and c = 5.6470557001293 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.392204
         Iterations: 89
         Function evaluations: 183
Results for this minimization:
  a = 2.8754834558658104, c = 4.726367477893751, total energy = -17.39220422928981

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

 Final lattice Constants:
   a = 3.972562337595625 Angstroms, c = 2.7204876663060045 Angstroms, c/a = 0.684819

 Total energy: -18.208520187059158 eV

 Cohesive energy: -4.552130046764789 eV/atom

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