Element = Lattice = Model = Element: Ga
Lattice: hcp
Model: SW_BereSerra_2006_GaN__MO_861114678890_000
Computed model cutoff of 3.3049831824004796 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ga

==============================================================================
==============================================================================
 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: -5.748031
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.6368395724333857, total energy = -5.748030998866536

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: -5.748031
         Iterations: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.636839576653437, total energy = -5.748030998866532

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: -5.748031
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.636839574202895, total energy = -5.748030998866529

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: -5.748031
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.6368395722354823, total energy = -5.748030998866533

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: -5.748031
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.636839575832712, total energy = -5.748030998866535

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: -5.748031
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.636839570943269, total energy = -5.748030998866536

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: -5.748031
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6368395669618625, total energy = -5.748030998866526

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: -5.748031
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.6368395660538226, total energy = -5.748030998866533

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: -5.748031
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.6368395742028965, total energy = -5.748030998866534

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: -5.748031
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.636839570332087, total energy = -5.748030998866531

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: -5.748031
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.6368395769153716, total energy = -5.748030998866533

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: -5.748031
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.6368395729077747, total energy = -5.748030998866526

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: -5.748031
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.6368395760655403, total energy = -5.748030998866527

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: -5.748031
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.6368395804078313, total energy = -5.748030998866529

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: -5.748031
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.636839575693011, total energy = -5.748030998866535

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: -5.748031
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.6368395740631962, total energy = -5.748030998866539

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: -5.748031
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.636839576810597, total energy = -5.748030998866532

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: -5.748031
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.636839561164379, total energy = -5.748030998866522

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: -5.748031
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.636839570943266, total energy = -5.748030998866534

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: -5.748031
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.6368395801633584, total energy = -5.748030998866529

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: -5.748031
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.6368395725032308, total energy = -5.74803099886653

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.63683957] Angstroms and c = 3.444752794684034 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 83
         Function evaluations: 173
Results for this minimization:
  a = 2.6368395745879907, c = 4.305940966770567, total energy = -5.748030998866531

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683957] Angstroms and c = 3.660049844351786 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 77
         Function evaluations: 164
Results for this minimization:
  a = 2.6368395747640543, c = 4.305940993436048, total energy = -5.748030998866533

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683957] Angstroms and c = 3.8753468940195384 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 2.6368395663564566, c = 4.305941010945848, total energy = -5.748030998866532

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683957] Angstroms and c = 4.09064394368729 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.636839573830369, c = 4.305940993500018, total energy = -5.748030998866534

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683957] Angstroms and c = 4.305940993355042 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.6368395739197865, c = 4.305940989232027, total energy = -5.748030998866537

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683957] Angstroms and c = 4.5212380430227945 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.6368395738693935, c = 4.305940979947422, total energy = -5.748030998866536

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683957] Angstroms and c = 4.736535092690547 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 2.6368395689112587, c = 4.305940992046683, total energy = -5.748030998866532

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683957] Angstroms and c = 4.951832142358299 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.636839567902551, c = 4.305940991005592, total energy = -5.748030998866531

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683957] Angstroms and c = 5.167129192026051 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.6368395747770155, c = 4.305940977193242, total energy = -5.748030998866534

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

 Final lattice Constants:
   a = [2.63683957] Angstroms, c = [4.30594099] Angstroms, c/a = 1.632993

 Total energy: -5.748030998866539 eV

 Cohesive energy: -1.4370077497166347 eV/atom

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