Element = Lattice = Model = Element: Si
Lattice: hcp
Model: SW_LeeHwang_2012GGA_Si__MO_040570764911_000
Computed model cutoff of 3.734360466152436 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: -8.330930
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.0131579458713573, total energy = -8.33092991120907

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: -8.330930
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.013157944427803, total energy = -8.330929911209065

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: -8.330930
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.013157945126295, total energy = -8.330929911209063

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: -8.330930
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 3.0131579495966507, total energy = -8.330929911209063

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: -8.330930
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.0131579450564496, total energy = -8.330929911209065

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: -8.330930
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.0131579444743712, total energy = -8.330929911209067

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: -8.330930
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 3.013157942146063, total energy = -8.330929911209061

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: -8.330930
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.0131579423323274, total energy = -8.330929911209061

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: -8.330930
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.013157945871356, total energy = -8.330929911209065

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: -8.330930
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.013157943543047, total energy = -8.330929911209074

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: -8.330930
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.0131579422275547, total energy = -8.330929911209065

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: -8.330930
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.0131579430424598, total energy = -8.330929911209068

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: -8.330930
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.0131579488515854, total energy = -8.330929911209063

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: -8.330930
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.013157941494138, total energy = -8.33092991120906

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: -8.330930
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.013157949468588, total energy = -8.330929911209061

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: -8.330930
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.013157946802676, total energy = -8.330929911209068

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: -8.330930
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.0131579507142305, total energy = -8.330929911209063

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: -8.330930
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 3.013157947571017, total energy = -8.330929911209065

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: -8.330930
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.0131579444743695, total energy = -8.330929911209063

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: -8.330930
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.0131579432752904, total energy = -8.33092991120906

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: -8.330930
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.013157942146063, total energy = -8.33092991120906

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: -8.330930
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.0131579460576168, total energy = -8.330929911209065

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: -8.330930
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.0131579493172467, total energy = -8.330929911209065

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.01315794] Angstroms and c = 3.9363730539169857 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.108723
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 3.750993904312426, c = 3.325523198718661, total energy = -9.108723449740353

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315794] Angstroms and c = 4.182396369786797 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.108723
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 3.7509938996235306, c = 3.325523200800972, total energy = -9.108723449740351

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315794] Angstroms and c = 4.428419685656609 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 3.013157943645315, c = 4.920466330462664, total energy = -8.330929911209061

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315794] Angstroms and c = 4.674443001526421 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 3.0131579353987745, c = 4.920466374366194, total energy = -8.330929911209058

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315794] Angstroms and c = 4.920466317396233 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 3.013157943543047, c = 4.920466317396233, total energy = -8.330929911209065

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315794] Angstroms and c = 5.166489633266044 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 74
         Function evaluations: 151
Results for this minimization:
  a = 3.0131579502566197, c = 4.920466293701612, total energy = -8.330929911209063

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315794] Angstroms and c = 5.412512949135856 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 3.0131579392236123, c = 4.920466365328967, total energy = -8.33092991120906

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315794] Angstroms and c = 5.658536265005668 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 76
         Function evaluations: 156
Results for this minimization:
  a = 3.0131579517149527, c = 4.920466324513439, total energy = -8.330929911209061

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315794] Angstroms and c = 5.90455958087548 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 3.013157948456773, c = 4.9204663058629095, total energy = -8.330929911209068