Element = Lattice = Model = Element: Si
Lattice: hcp
Model: SW_LeeHwang_2012GGA_Si__MO_040570764911_001
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: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.0131579458713578, total energy = -8.330929911209076

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: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.013157947361469, total energy = -8.330929911209077

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: 41
         Function evaluations: 84
Results for this minimization:
  a = 3.013157937210053, total energy = -8.330929911209072

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: 82
Results for this minimization:
  a = 3.0131579497247083, total energy = -8.330929911209068

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 = 3.0131579384207763, total energy = -8.330929911209061

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: 79
Results for this minimization:
  a = 3.0131579384207745, total energy = -8.330929911209058

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.013157942146064, total energy = -8.33092991120907

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: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.013157946872525, total energy = -8.33092991120908

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: 76
Results for this minimization:
  a = 3.013157945871356, total energy = -8.330929911209072

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: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.013157947303262, total energy = -8.330929911209068

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: 78
Results for this minimization:
  a = 3.01315794736147, total energy = -8.330929911209067

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: 75
Results for this minimization:
  a = 3.0131579450331616, total energy = -8.330929911209072

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: 72
Results for this minimization:
  a = 3.0131579466396943, total energy = -8.330929911209068

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.01315794736147, total energy = -8.330929911209079

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: 71
Results for this minimization:
  a = 3.013157945498825, total energy = -8.330929911209076

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: 69
Results for this minimization:
  a = 3.0131579462671656, 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: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.013157948059961, total energy = -8.330929911209068

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: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.013157947571017, total energy = -8.330929911209068

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: 68
Results for this minimization:
  a = 3.0131579384207727, total energy = -8.33092991120906

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: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.013157952390611, 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: 72
Results for this minimization:
  a = 3.013157940842212, total energy = -8.330929911209068

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 = 3.0131579461420177, total energy = -8.330929911209068

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.0131579425069503, total energy = -8.330929911209065

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.01315795] Angstroms and c = 3.9363730582665974 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.108723
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 3.750993943923351, c = 3.3255231796861477, total energy = -9.108723449740355

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315795] Angstroms and c = 4.18239637440826 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.108723
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 3.7509939238932875, c = 3.325523198610372, total energy = -9.108723449740356

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315795] Angstroms and c = 4.428419690549922 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 3.0131579501802483, c = 4.920466319517205, total energy = -8.33092991120907

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315795] Angstroms and c = 4.674443006691584 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 3.0131579381130944, c = 4.920466341713429, total energy = -8.33092991120907

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315795] Angstroms and c = 4.920466322833247 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 3.013157946872525, c = 4.920466322833247, total energy = -8.330929911209076

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315795] Angstroms and c = 5.166489638974909 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 3.0131579280309237, c = 4.920466371984732, total energy = -8.33092991120907

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315795] Angstroms and c = 5.412512955116571 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 75
         Function evaluations: 155
Results for this minimization:
  a = 3.013157949135437, c = 4.920466330892448, total energy = -8.330929911209068

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315795] Angstroms and c = 5.658536271258233 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 3.0131579299655944, c = 4.920466359768426, total energy = -8.330929911209068

Attempting to perform relaxation using initial lattice constant guess of a = [3.01315795] Angstroms and c = 5.904559587399896 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.330930
         Iterations: 78
         Function evaluations: 162
Results for this minimization:
  a = 3.0131579521323957, c = 4.920466319970489, total energy = -8.330929911209079