Element = Lattice = Model = Element: N
Lattice: hcp
Model: SW_BereSerra_2006_GaN__MO_861114678890_001
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: 76
Results for this minimization:
  a = 1.8639250695705432, 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: 78
Results for this minimization:
  a = 1.8639250690117481, total energy = -7.5865821142033605

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: 78
Results for this minimization:
  a = 1.8639250679407269, total energy = -7.586582114203338

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: 76
Results for this minimization:
  a = 1.8639250621898116, total energy = -7.586582114203328

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: 71
Results for this minimization:
  a = 1.8639250695705423, total energy = -7.586582114203341

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 = 1.8639250684995212, total energy = -7.586582114203346

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: 68
Results for this minimization:
  a = 1.8639250675681973, total energy = -7.586582114203336

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: 67
Results for this minimization:
  a = 1.8639250671258196, total energy = -7.58658211420334

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: 71
Results for this minimization:
  a = 1.8639250729233021, total energy = -7.586582114203336

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 = -7.586582114203347

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: 35
         Function evaluations: 72
Results for this minimization:
  a = 1.8639250690117473, total energy = -7.58658211420335

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: 74
Results for this minimization:
  a = 1.863925071619451, total energy = -7.586582114203342

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: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.347773646305867, c = 2.0493957213606135, total energy = -8.086828592477483

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: 77
         Function evaluations: 164
Results for this minimization:
  a = 1.863925072679177, c = 3.0437768841735133, total energy = -7.58658211420334

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: 70
         Function evaluations: 147
Results for this minimization:
  a = 1.863925076115282, c = 3.04377687639645, total energy = -7.586582114203342

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: 68
         Function evaluations: 142
Results for this minimization:
  a = 1.8639250700936203, c = 3.043776894013213, total energy = -7.586582114203339

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: 61
         Function evaluations: 137
Results for this minimization:
  a = 1.8639250684450137, c = 3.0437769047013665, total energy = -7.58658211420334

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 = 1.863925065937797, c = 3.043776909339693, total energy = -7.586582114203342

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: 156
Results for this minimization:
  a = 1.863925081812996, c = 3.0437768725966086, total energy = -7.586582114203333

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 = 1.8639250723354968, c = 3.0437768982400204, total energy = -7.586582114203341

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: 78
         Function evaluations: 161
Results for this minimization:
  a = 1.863925070767383, c = 3.0437768912413894, total energy = -7.586582114203341