Element = Lattice = Model = Element: Si
Lattice: hcp
Model: SW_ZhangXieHu_2014OptimizedSW1_Si__MO_800412945727_005
Computed model cutoff of 3.503489141613255 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: -13.331917
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.7484920404851487, total energy = -13.331917102859023

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: -13.331917
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7484920454910022, total energy = -13.331917102859029

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: -13.331917
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7484920397400856, total energy = -13.331917102858988

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: -13.331917
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.748492043593439, total energy = -13.331917102859006

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: -13.331917
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.748492045560855, total energy = -13.33191710285901

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: -13.331917
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7484920493443514, total energy = -13.331917102858997

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: -13.331917
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.748492032103241, total energy = -13.331917102858995

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: -13.331917
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7484920490533113, total energy = -13.331917102858991

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: -13.331917
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.748492053058, total energy = -13.331917102858993

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: -13.331917
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7484920500777674, total energy = -13.331917102858991

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: -13.331917
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.748492052406073, total energy = -13.331917102859004

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: -13.331917
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.748492038616677, total energy = -13.33191710285902

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: -13.331917
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7484920397400856, total energy = -13.331917102859007

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: -13.331917
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.7484920470975345, total energy = -13.331917102859016

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: -13.331917
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 2.7484920424409216, total energy = -13.331917102859016

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: -13.331917
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7484920494258405, total energy = -13.331917102859007

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: -13.331917
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.748492043744772, total energy = -13.33191710285902

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: -13.331917
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.7484920457936823, total energy = -13.33191710285899

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: -13.331917
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7484920401126143, total energy = -13.331917102859006

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: -13.331917
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7484920524060716, total energy = -13.331917102859

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: -13.331917
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.7484920314513133, total energy = -13.331917102858995

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: -13.331917
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7484920430928446, total energy = -13.331917102859016

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.74849205] Angstroms and c = 3.590614972560729 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.331917
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.7484920580993926, c = 4.488268691015573, total energy = -13.331917102859006

Attempting to perform relaxation using initial lattice constant guess of a = [2.74849205] Angstroms and c = 3.8150284083457744 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.331917
         Iterations: 82
         Function evaluations: 171
Results for this minimization:
  a = 2.748492036345586, c = 4.48826872468787, total energy = -13.331917102859018

Attempting to perform relaxation using initial lattice constant guess of a = [2.74849205] Angstroms and c = 4.03944184413082 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.331917
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.7484920682149854, c = 4.488268633499912, total energy = -13.331917102858995

Attempting to perform relaxation using initial lattice constant guess of a = [2.74849205] Angstroms and c = 4.263855279915866 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.331917
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.748492044945742, c = 4.488268711413967, total energy = -13.331917102859009

Attempting to perform relaxation using initial lattice constant guess of a = [2.74849205] Angstroms and c = 4.488268715700912 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.331917
         Iterations: 62
         Function evaluations: 136
Results for this minimization:
  a = 2.748492047891922, c = 4.488268710243921, total energy = -13.331917102859002

Attempting to perform relaxation using initial lattice constant guess of a = [2.74849205] Angstroms and c = 4.712682151485957 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.331917
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.748492051773992, c = 4.488268706135682, total energy = -13.331917102858998

Attempting to perform relaxation using initial lattice constant guess of a = [2.74849205] Angstroms and c = 4.937095587271003 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.331917
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.748492045288125, c = 4.488268732025153, total energy = -13.331917102859002

Attempting to perform relaxation using initial lattice constant guess of a = [2.74849205] Angstroms and c = 5.161509023056048 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.331917
         Iterations: 79
         Function evaluations: 164
Results for this minimization:
  a = 2.748492046479954, c = 4.488268700083809, total energy = -13.331917102859006

Attempting to perform relaxation using initial lattice constant guess of a = [2.74849205] Angstroms and c = 5.385922458841094 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.331917
         Iterations: 76
         Function evaluations: 167
Results for this minimization:
  a = 2.7484920503066395, c = 4.488268667804502, total energy = -13.331917102858997

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

 Final lattice Constants:
   a = [2.74849205] Angstroms, c = [4.48826872] Angstroms, c/a = 1.632993

 Total energy: -13.331917102859029 eV

 Cohesive energy: -3.332979275714757 eV/atom

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