Element = Lattice = Model = Element: Pb
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Pb__MO_534638645497_003
Computed model cutoff of 8.207319996506016 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pb

==============================================================================
==============================================================================
 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: -7.671884
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.510609865095472, total energy = -7.671883644427742

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: -7.671884
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.5106098592281336, total energy = -7.6718836444277505

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: -7.671884
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.5106098391115665, total energy = -7.6718836444277505

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: -7.671884
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.510609848238537, total energy = -7.671883644427752

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: -7.671884
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.5106098597869315, total energy = -7.671883644427752

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: -7.671884
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 3.510609868256145, total energy = -7.671883644427741

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: -7.671884
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.510609848692547, total energy = -7.671883644427758

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: -7.671884
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5106098391115665, total energy = -7.671883644427747

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: -7.671884
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.510609859786931, total energy = -7.671883644427743

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: -7.671884
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.51060982272029, total energy = -7.671883644427728

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: -7.671884
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.5106098592281354, total energy = -7.6718836444277505

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: -7.671884
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.5106098555028415, total energy = -7.671883644427748

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: -7.671884
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.510609850054607, total energy = -7.671883644427742

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: -7.671884
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.510609891638161, total energy = -7.6718836444277265

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: -7.671884
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.5106098482385306, total energy = -7.671883644427743

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: -7.671884
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.510609847039451, total energy = -7.671883644427736

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: -7.671884
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.5106098592281354, total energy = -7.671883644427741

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: -7.671884
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.510609846562147, total energy = -7.6718836444277345

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: -7.671884
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.5106098578893588, total energy = -7.671883644427735

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: -7.671884
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.510609860590194, total energy = -7.671883644427749

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: -7.671884
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.510609848692547, total energy = -7.67188364442774

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: -7.671884
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.510609855660005, total energy = -7.671883644427737

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: -7.671884
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.5106098391115665, total energy = -7.671883644427735

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: -7.671884
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.5106098336633282, total energy = -7.671883644427734

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: -7.671884
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.5106098593212653, total energy = -7.671883644427737

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: -7.671884
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.51060984999931, total energy = -7.67188364442774

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: -7.671884
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.5106098353862745, total energy = -7.6718836444277265

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: -7.671884
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.5106098605901934, total energy = -7.671883644427746

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: -7.671884
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.5106098609045127, total energy = -7.6718836444277425

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: -7.671884
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.51060985426593, total energy = -7.671883644427735

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: -7.671884
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.510609855281656, total energy = -7.671883644427744

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: -7.671884
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.5106098189949972, total energy = -7.671883644427721

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: -7.671884
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.5106098502874374, total energy = -7.671883644427739

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: -7.671884
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.5106098320800774, total energy = -7.671883644427727

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: -7.671884
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.510609891638159, total energy = -7.671883644427727

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: -7.671884
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5106098647229382, total energy = -7.6718836444277345

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: -7.671884
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.5106098666787124, total energy = -7.671883644427744

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: -7.671884
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.5106098391115665, total energy = -7.6718836444277345

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: -7.671884
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.5106098376680133, total energy = -7.67188364442773

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: -7.671884
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.5106098517309854, total energy = -7.671883644427735

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: -7.671884
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.510609859158279, total energy = -7.67188364442774

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: -7.671884
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.5106098485193766, total energy = -7.671883644427737

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: -7.671884
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.5106098468531854, total energy = -7.6718836444277345

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: -7.671884
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.5106098735821414, total energy = -7.671883644427738

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: -7.671884
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.5106098601594518, total energy = -7.671883644427733

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: -7.671884
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.510609866678709, total energy = -7.671883644427741

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: -7.671884
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.5106098605901903, total energy = -7.671883644427746

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: -7.671884
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.5106098531687167, total energy = -7.671883644427736

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.671884
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5106098484480732, total energy = -7.671883644427733

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.671884
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.5106098526273803, total energy = -7.671883644427739

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.671884
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.510609857179218, total energy = -7.671883644427732

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.671884
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.5106098560616337, total energy = -7.671883644427739

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.671884
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.5106098502874374, total energy = -7.671883644427735

Attempting to perform relaxation using initial lattice constant guess of a = 7.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.671884
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.5106098665972283, total energy = -7.671883644427734

Attempting to perform relaxation using initial lattice constant guess of a = 7.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.671884
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5106098379939676, total energy = -7.671883644427728

Attempting to perform relaxation using initial lattice constant guess of a = 7.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.671884
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.5106098576565197, total energy = -7.671883644427733

Attempting to perform relaxation using initial lattice constant guess of a = 8.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.671884
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.5106098588556005, total energy = -7.671883644427733

Attempting to perform relaxation using initial lattice constant guess of a = 8.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.671884
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.5106098849792033, total energy = -7.671883644427729

Attempting to perform relaxation using initial lattice constant guess of a = 8.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -7.671884
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.5106098502874414, total energy = -7.671883644427736

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.51060985] Angstroms and c = 4.586241501485866 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.671941
         Iterations: 77
         Function evaluations: 159
Results for this minimization:
  a = 3.508523878322299, c = 5.739574698675613, total energy = -7.671941295138041

Attempting to perform relaxation using initial lattice constant guess of a = [3.51060985] Angstroms and c = 4.872881595328733 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.671941
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 3.5085238566969235, c = 5.739574727610879, total energy = -7.671941295138043

Attempting to perform relaxation using initial lattice constant guess of a = [3.51060985] Angstroms and c = 5.1595216891716005 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.671941
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 3.5085238574943567, c = 5.739574748901848, total energy = -7.671941295138043

Attempting to perform relaxation using initial lattice constant guess of a = [3.51060985] Angstroms and c = 5.4461617830144675 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.671941
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 3.5085238689544447, c = 5.739574733660121, total energy = -7.6719412951380415

Attempting to perform relaxation using initial lattice constant guess of a = [3.51060985] Angstroms and c = 5.7328018768573346 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.671941
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 3.5085238666159024, c = 5.7395747502825625, total energy = -7.6719412951380415

Attempting to perform relaxation using initial lattice constant guess of a = [3.51060985] Angstroms and c = 6.019441970700202 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.671941
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 3.5085238587812606, c = 5.739574736645464, total energy = -7.671941295138046

Attempting to perform relaxation using initial lattice constant guess of a = [3.51060985] Angstroms and c = 6.306082064543069 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.671941
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 3.508523853272136, c = 5.739574709952336, total energy = -7.671941295138039

Attempting to perform relaxation using initial lattice constant guess of a = [3.51060985] Angstroms and c = 6.592722158385936 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.671941
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 3.5085238549899853, c = 5.73957473822698, total energy = -7.671941295138044

Attempting to perform relaxation using initial lattice constant guess of a = [3.51060985] Angstroms and c = 6.879362252228803 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.671941
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 3.5085238618120753, c = 5.739574722131385, total energy = -7.671941295138046

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

 Final lattice Constants:
   a = 3.5085238587812606 Angstroms, c = 5.739574736645464 Angstroms, c/a = 1.635894

 Total energy: -7.671941295138046 eV

 Cohesive energy: -1.9179853237845115 eV/atom

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