Element = Lattice = Model = Element: Si
Lattice: hcp
Model: MFF_MistriotisFlytzanisFarantos_1989_Si__MO_080526771943_001
Computed model cutoff of 3.717143984436995 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: -18.142064
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9536344572901774, total energy = -18.142063898569745

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: -18.142064
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.953634455322752, total energy = -18.14206389856973

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: -18.142064
         Iterations: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.953634448349476, total energy = -18.14206389856975

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: -18.142064
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.953634445928044, total energy = -18.14206389856976

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: -18.142064
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.9536344632506415, total energy = -18.14206389856972

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: -18.142064
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.953634442086334, total energy = -18.142063898569702

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: -18.142064
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9536344509222543, total energy = -18.142063898569717

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: -18.142064
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.9536344599328004, total energy = -18.142063898569702

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: -18.142064
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9536344468593625, total energy = -18.142063898569752

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: -18.142064
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.953634462133052, total energy = -18.142063898569713

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: -18.142064
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.953634455322753, total energy = -18.142063898569706

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: -18.142064
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.953634449170202, total energy = -18.142063898569734

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: -18.142064
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.953634448349476, total energy = -18.14206389856975

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: -18.142064
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9536344585008925, total energy = -18.142063898569727

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: -18.142064
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.953634442854672, total energy = -18.14206389856974

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: -18.142064
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.953634448975208, total energy = -18.142063898569695

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: -18.142064
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.9536344509571792, total energy = -18.14206389856971

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: -18.142064
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.953634448349476, total energy = -18.14206389856974

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: -18.142064
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.9536344496533276, total energy = -18.1420638985697

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: -18.142064
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.953634437615983, total energy = -18.14206389856967

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: -18.142064
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.953634451329708, total energy = -18.142063898569706

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: -18.142064
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9536344492807967, total energy = -18.142063898569706

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: -18.142064
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.953634466044605, total energy = -18.142063898569674

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.95363445] Angstroms and c = 3.8586118822569704 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.149267
         Iterations: 81
         Function evaluations: 169
Results for this minimization:
  a = 2.9355105176388245, c = 4.881973698995075, total energy = -18.149267373695682

Attempting to perform relaxation using initial lattice constant guess of a = [2.95363445] Angstroms and c = 4.099775124898031 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.149267
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.935510502569255, c = 4.881973734576384, total energy = -18.149267373695633

Attempting to perform relaxation using initial lattice constant guess of a = [2.95363445] Angstroms and c = 4.340938367539091 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.149267
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.935510531159001, c = 4.881973627866634, total energy = -18.149267373695654

Attempting to perform relaxation using initial lattice constant guess of a = [2.95363445] Angstroms and c = 4.5821016101801515 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.149267
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.935510522940799, c = 4.88197366202302, total energy = -18.14926737369566

Attempting to perform relaxation using initial lattice constant guess of a = [2.95363445] Angstroms and c = 4.823264852821212 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.149267
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.935510551948978, c = 4.8819735748629745, total energy = -18.14926737369567

Attempting to perform relaxation using initial lattice constant guess of a = [2.95363445] Angstroms and c = 5.064428095462272 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.149267
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.935510496651689, c = 4.88197375102053, total energy = -18.149267373695643

Attempting to perform relaxation using initial lattice constant guess of a = [2.95363445] Angstroms and c = 5.305591338103333 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.149267
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.9355105293440666, c = 4.881973671107383, total energy = -18.149267373695658

Attempting to perform relaxation using initial lattice constant guess of a = [2.95363445] Angstroms and c = 5.546754580744393 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.149267
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 2.935510507553203, c = 4.881973716306314, total energy = -18.149267373695686

Attempting to perform relaxation using initial lattice constant guess of a = [2.95363445] Angstroms and c = 5.787917823385453 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.149267
         Iterations: 76
         Function evaluations: 165
Results for this minimization:
  a = 2.9355105624466615, c = 4.8819735667392266, total energy = -18.14926737369564

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

 Final lattice Constants:
   a = 2.935510507553203 Angstroms, c = 4.881973716306314 Angstroms, c/a = 1.663075

 Total energy: -18.149267373695686 eV

 Cohesive energy: -4.5373168434239215 eV/atom

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