Element = Lattice = Model = Element: Pd
Lattice: hcp
Model: EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pd__MO_786012902615_001
Computed model cutoff of 5.300000002458708 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pd

==============================================================================
==============================================================================
 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: -15.627789
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7494030941277785, total energy = -15.627788532762812

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: -15.627789
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.7494031485170116, total energy = -15.62778853276282

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: -15.627789
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7494030743837357, total energy = -15.627788532762724

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: -15.627789
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7494031113805306, total energy = -15.627788532762855

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: -15.627789
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.749403136223557, total energy = -15.627788532762809

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: -15.627789
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.7494031306356215, total energy = -15.62778853276286

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: -15.627789
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.7494031310081484, total energy = -15.62778853276282

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: -15.627789
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7494031119858846, total energy = -15.627788532762796

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: -15.627789
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.749403094127776, total energy = -15.62778853276282

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: -15.627789
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.749403097108007, total energy = -15.62778853276279

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: -15.627789
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.749403149355203, total energy = -15.627788532762809

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: -15.627789
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.749403136363253, total energy = -15.627788532762802

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: -15.627789
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7494030743837357, total energy = -15.627788532762738

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: -15.627789
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.7494031364680263, total energy = -15.627788532762844

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: -15.627789
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.749403111380525, total energy = -15.627788532762859

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: -15.627789
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.749403137504123, total energy = -15.627788532762857

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: -15.627789
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7494031362235534, total energy = -15.627788532762835

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: -15.627789
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7494031575042754, total energy = -15.627788532762784

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: -15.627789
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.7494031536392862, total energy = -15.627788532762775

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: -15.627789
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.749403111007995, total energy = -15.627788532762862

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: -15.627789
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.7494031310081466, total energy = -15.627788532762828

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: -15.627789
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7494031051173793, total energy = -15.62778853276283

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: -15.627789
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7494031119858846, total energy = -15.627788532762814

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: -15.627789
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.749403102509674, total energy = -15.627788532762821

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: -15.627789
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7494030971080052, total energy = -15.627788532762782

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: -15.627789
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.749403137760239, total energy = -15.62778853276283

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: -15.627789
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7494030971080035, total energy = -15.627788532762784

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: -15.627789
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.7494031017122325, total energy = -15.627788532762763

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: -15.627789
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.7494031518697692, total energy = -15.627788532762777

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: -15.627789
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.749403131008147, total energy = -15.627788532762843

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: -15.627789
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.749403136363256, total energy = -15.627788532762796

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: -15.627789
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.749403130635616, total energy = -15.62778853276287

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: -15.627789
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.749403074500151, total energy = -15.62778853276273

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: -15.627789
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.749403135385358, total energy = -15.627788532762851

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: -15.627789
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7494031362235525, total energy = -15.627788532762832

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: -15.627789
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.749403139266362, total energy = -15.6277885327629

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.74940314] Angstroms and c = 3.591805220484706 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.375 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.74940314] Angstroms and c = 3.8162930467650003 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.375 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.74940314] Angstroms and c = 4.0407808730452945 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.375 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.74940314] Angstroms and c = 4.265268699325588 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.375 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.74940314] Angstroms and c = 4.489756525605883 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.375 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.74940314] Angstroms and c = 4.714244351886178 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.375 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.74940314] Angstroms and c = 4.938732178166472 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.375 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.74940314] Angstroms and c = 5.1632200044467655 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.375 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.74940314] Angstroms and c = 5.38770783072706 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.375 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [2.74940314] Angstroms, c = [4.48975653] Angstroms, c/a = 1.632993

 Total energy: -15.6277885327629 eV

 Cohesive energy: -3.906947133190725 eV/atom

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