Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004
Computed model cutoff of 6.763419998586205 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cu

==============================================================================
==============================================================================
 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: -13.099589
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5753179080784356, total energy = -13.099589197806301

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: -13.099589
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5753179435152562, total energy = -13.099589197806308

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: -13.099589
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5753179488237947, total energy = -13.099589197806337

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: -13.099589
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.5753179579041956, total energy = -13.099589197806273

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: -13.099589
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5753179425373705, total energy = -13.099589197806308

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: -13.099589
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5753179315477626, total energy = -13.09958919780629

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: -13.099589
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5753179445862777, total energy = -13.099589197806308

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: -13.099589
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.575317937647924, total energy = -13.099589197806301

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: -13.099589
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.575317942723633, total energy = -13.099589197806308

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: -13.099589
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.575317935761997, total energy = -13.0995891978063

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: -13.099589
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5753179435152562, total energy = -13.099589197806306

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: -13.099589
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5753179396037016, total energy = -13.099589197806289

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: -13.099589
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.5753179488237947, total energy = -13.099589197806333

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: -13.099589
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5753179302439095, total energy = -13.099589197806289

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: -13.099589
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.575317944522249, total energy = -13.099589197806308

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: -13.099589
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.575317949207964, total energy = -13.099589197806278

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: -13.099589
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5753179430961604, total energy = -13.099589197806303

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: -13.099589
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.575317941082176, total energy = -13.099589197806296

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: -13.099589
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.57531793154776, total energy = -13.099589197806283

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: -13.099589
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5753179338760663, total energy = -13.099589197806308

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: -13.099589
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.575317944586276, total energy = -13.099589197806305

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: -13.099589
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5753179273568074, total energy = -13.099589197806303

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: -13.099589
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5753179457678925, total energy = -13.099589197806294

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5753179430961577, total energy = -13.099589197806303

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5753179430961595, total energy = -13.099589197806305

Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5753179671242843, total energy = -13.099589197806287

Attempting to perform relaxation using initial lattice constant guess of a = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5753179357619933, total energy = -13.099589197806308

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5753179412859026, total energy = -13.09958919780632

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.575317942677062, total energy = -13.0995891978063

Attempting to perform relaxation using initial lattice constant guess of a = 4.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5753179451683526, total energy = -13.099589197806294

Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5753179404884596, total energy = -13.0995891978063

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5753179329854863, total energy = -13.099589197806289

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5753179488237947, total energy = -13.099589197806319

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.57531795003451, total energy = -13.099589197806315

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5753179302439078, total energy = -13.099589197806289

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5753179347782886, total energy = -13.099589197806305

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5753179445222454, total energy = -13.099589197806308

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.575317948125303, total energy = -13.099589197806285

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5753179484046926, total energy = -13.09958919780628

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.575317942909895, total energy = -13.099589197806296

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5753179430961533, total energy = -13.099589197806301

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.575317923724647, total energy = -13.099589197806285

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.575317942391848, total energy = -13.099589197806285

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.5753179394727317, total energy = -13.099589197806301

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.5753179315477537, total energy = -13.099589197806287

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.575317951943716, total energy = -13.099589197806292

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.575317933876063, total energy = -13.099589197806289

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.099589
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.5753179426974384, total energy = -13.099589197806292

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.57531795] Angstroms and c = 3.364381280026293 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.100072
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.5791542870329653, c = 4.192818531945194, total energy = -13.100071590129325

Attempting to perform relaxation using initial lattice constant guess of a = [2.57531795] Angstroms and c = 3.5746551100279365 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.100072
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.579154283316231, c = 4.192818499262479, total energy = -13.100071590129312

Attempting to perform relaxation using initial lattice constant guess of a = [2.57531795] Angstroms and c = 3.78492894002958 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.100072
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.579154289132128, c = 4.1928184879236365, total energy = -13.100071590129318

Attempting to perform relaxation using initial lattice constant guess of a = [2.57531795] Angstroms and c = 3.995202770031223 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.100072
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.5791542902929567, c = 4.192818454957219, total energy = -13.10007159012931

Attempting to perform relaxation using initial lattice constant guess of a = [2.57531795] Angstroms and c = 4.205476600032867 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.100072
         Iterations: 66
         Function evaluations: 139
Results for this minimization:
  a = 2.5791542869299064, c = 4.1928184589285795, total energy = -13.100071590129314

Attempting to perform relaxation using initial lattice constant guess of a = [2.57531795] Angstroms and c = 4.41575043003451 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.100072
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.579154284360019, c = 4.192818494728828, total energy = -13.100071590129325

Attempting to perform relaxation using initial lattice constant guess of a = [2.57531795] Angstroms and c = 4.626024260036154 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.100072
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.5791542974638695, c = 4.192818461307121, total energy = -13.100071590129316

Attempting to perform relaxation using initial lattice constant guess of a = [2.57531795] Angstroms and c = 4.836298090037797 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.100072
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.5791542835258783, c = 4.192818465595811, total energy = -13.100071590129318

Attempting to perform relaxation using initial lattice constant guess of a = [2.57531795] Angstroms and c = 5.04657192003944 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.100072
         Iterations: 66
         Function evaluations: 147
Results for this minimization:
  a = 2.579154292648738, c = 4.192818448599413, total energy = -13.100071590129327

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

 Final lattice Constants:
   a = 2.579154292648738 Angstroms, c = 4.192818448599413 Angstroms, c/a = 1.625656

 Total energy: -13.100071590129327 eV

 Cohesive energy: -3.2750178975323316 eV/atom

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