Element = Lattice = Model = Element: N
Lattice: hcp
Model: SW_BereSerra_2006_GaN__MO_861114678890_000
Computed model cutoff of 2.305985934101081 Angstroms
Computed isolated atomic energy of 0.0 eV for species N

==============================================================================
==============================================================================
 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: -7.586582
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 1.8639250725507752, total energy = -7.586582114203341

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: -7.586582
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 1.8639250690117481, total energy = -7.5865821142033445

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: -7.586582
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 1.863925065845251, total energy = -7.586582114203336

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: -7.586582
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 1.8639250711537918, total energy = -7.586582114203335

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: -7.586582
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 1.863925067335368, total energy = -7.5865821142033445

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: -7.586582
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 1.8639250750071374, total energy = -7.586582114203344

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: -7.586582
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 1.8639250738429833, total energy = -7.586582114203331

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: -7.586582
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 1.8639250751584768, total energy = -7.586582114203337

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: -7.586582
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 1.863925072550773, total energy = -7.586582114203341

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: -7.586582
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 1.863925069011748, total energy = -7.586582114203339

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: -7.586582
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 1.8639250674401404, total energy = -7.586582114203338

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: -7.586582
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 1.863925071619451, total energy = -7.586582114203339

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.5, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.625, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.75, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.875, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.0, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.125, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 2.4350215135257094 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.086829
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 2.347773672264454, c = 2.049395712726576, total energy = -8.086828592477481

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 2.5872103581210664 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 79
         Function evaluations: 164
Results for this minimization:
  a = 1.8639250766889843, c = 3.043776879594215, total energy = -7.586582114203338

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 2.7393992027164233 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 77
         Function evaluations: 158
Results for this minimization:
  a = 1.863925061909231, c = 3.0437769267780723, total energy = -7.586582114203334

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 2.8915880473117803 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 1.8639250765482824, c = 3.0437768863987515, total energy = -7.586582114203334

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 3.0437768919071373 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 62
         Function evaluations: 135
Results for this minimization:
  a = 1.8639250660570743, c = 3.043776909986028, total energy = -7.586582114203336

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 3.1959657365024943 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 1.8639250640893212, c = 3.0437768949180066, total energy = -7.586582114203333

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 3.3481545810978512 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 1.8639250746796028, c = 3.0437768761387067, total energy = -7.58658211420334

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 3.500343425693208 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 78
         Function evaluations: 157
Results for this minimization:
  a = 1.8639250707573125, c = 3.043776902146237, total energy = -7.586582114203338

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 3.652532270288565 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 1.8639250665883762, c = 3.043776909741746, total energy = -7.5865821142033365