Element = Lattice = Model = Element: Cr
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cr__MO_483480726117_002
Computed model cutoff of 6.122620005458633 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cr

==============================================================================
==============================================================================
 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: -14.726574
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5772510223090688, total energy = -14.726574004833866

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: -14.726574
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5772510178387167, total energy = -14.726574004833854

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: -14.726574
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.577251024544239, total energy = -14.72657400483385

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: -14.726574
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5772510478273087, total energy = -14.726574004833843

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: -14.726574
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5772510468959835, total energy = -14.726574004833845

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: -14.726574
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5772510193288345, total energy = -14.726574004833852

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: -14.726574
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5772509986301886, total energy = -14.726574004833829

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: -14.726574
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.577251025242731, total energy = -14.726574004833862

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: -14.726574
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5772510215640088, total energy = -14.726574004833854

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: -14.726574
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.577251022658311, total energy = -14.726574004833875

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: -14.726574
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5772510178387167, total energy = -14.72657400483385

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: -14.726574
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.577251028921455, total energy = -14.72657400483385

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: -14.726574
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.577251024544239, total energy = -14.726574004833852

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: -14.726574
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.5772510244220026, total energy = -14.726574004833859

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: -14.726574
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.5772510252892973, total energy = -14.726574004833855

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: -14.726574
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5772510479262563, total energy = -14.726574004833846

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: -14.726574
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5772510223090643, total energy = -14.726574004833846

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: -14.726574
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.577251026232261, total energy = -14.726574004833852

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: -14.726574
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.577251019328832, total energy = -14.726574004833841

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: -14.726574
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5772510165814304, total energy = -14.726574004833843

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: -14.726574
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5772509984672056, total energy = -14.726574004833818

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: -14.726574
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.577251022320704, total energy = -14.726574004833862

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: -14.726574
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.577251025242731, total energy = -14.726574004833854

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: -14.726574
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5772510181210206, total energy = -14.726574004833854

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: -14.726574
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.57725102379918, total energy = -14.726574004833841

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: -14.726574
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.577251021575649, total energy = -14.726574004833854

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: -14.726574
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5772510147420657, total energy = -14.72657400483387

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: -14.726574
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5772510261740535, total energy = -14.726574004833846

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: -14.726574
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.577251019515093, total energy = -14.72657400483384

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: -14.726574
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.577251018534297, total energy = -14.726574004833852

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: -14.726574
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5772510271519438, total energy = -14.726574004833845

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: -14.726574
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5772510317387036, total energy = -14.726574004833862

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: -14.726574
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.577251024544239, total energy = -14.72657400483385

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: -14.726574
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5772510257374908, total energy = -14.726574004833841

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: -14.726574
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.5772510162321827, total energy = -14.72657400483385

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: -14.726574
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.577251017751407, total energy = -14.726574004833841

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: -14.726574
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5772510211914743, total energy = -14.72657400483383

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: -14.726574
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.577251024544239, total energy = -14.726574004833845

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: -14.726574
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.577251024497668, total energy = -14.726574004833852

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: -14.726574
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.5772510178387154, total energy = -14.72657400483385

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: -14.726574
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5772510172799152, total energy = -14.726574004833848

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: -14.726574
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.577251022669949, total energy = -14.726574004833864

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.57725102] Angstroms and c = 3.366906637108795 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.726725
         Iterations: 76
         Function evaluations: 155
Results for this minimization:
  a = 2.5754212647170727, c = 4.214570043217136, total energy = -14.726725003363397

Attempting to perform relaxation using initial lattice constant guess of a = [2.57725102] Angstroms and c = 3.5773383019280947 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.726725
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 2.5754212657169973, c = 4.214569995030155, total energy = -14.726725003363402

Attempting to perform relaxation using initial lattice constant guess of a = [2.57725102] Angstroms and c = 3.7877699667473945 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.726725
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.575421272344384, c = 4.214570006716169, total energy = -14.726725003363402

Attempting to perform relaxation using initial lattice constant guess of a = [2.57725102] Angstroms and c = 3.9982016315666944 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.726725
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.5754212730095647, c = 4.214569955778881, total energy = -14.726725003363391

Attempting to perform relaxation using initial lattice constant guess of a = [2.57725102] Angstroms and c = 4.208633296385994 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.726725
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.5754212786880952, c = 4.21457000965506, total energy = -14.726725003363399

Attempting to perform relaxation using initial lattice constant guess of a = [2.57725102] Angstroms and c = 4.419064961205294 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.726725
         Iterations: 69
         Function evaluations: 143
Results for this minimization:
  a = 2.575421264467808, c = 4.214569978343779, total energy = -14.7267250033634

Attempting to perform relaxation using initial lattice constant guess of a = [2.57725102] Angstroms and c = 4.6294966260245936 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.726725
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 2.575421251527824, c = 4.214570031072092, total energy = -14.726725003363388

Attempting to perform relaxation using initial lattice constant guess of a = [2.57725102] Angstroms and c = 4.839928290843893 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.726725
         Iterations: 74
         Function evaluations: 161
Results for this minimization:
  a = 2.575421287658482, c = 4.214570045897489, total energy = -14.726725003363384

Attempting to perform relaxation using initial lattice constant guess of a = [2.57725102] Angstroms and c = 5.050359955663193 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.726725
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.5754212522583133, c = 4.2145700062971745, total energy = -14.726725003363391

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

 Final lattice Constants:
   a = 2.5754212657169973 Angstroms, c = 4.214569995030155 Angstroms, c/a = 1.636458

 Total energy: -14.726725003363402 eV

 Cohesive energy: -3.6816812508408505 eV/atom

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