Element = Lattice = Model = Element: Pd
Lattice: hcp
Model: EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Pd__MO_993644691224_001
Computed model cutoff of 6.151192685775499 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: -15.621645
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.757653509266678, total energy = -15.621645045335617

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: -15.621645
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.757653539627791, total energy = -15.62164504533567

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: -15.621645
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7576535306870937, total energy = -15.621645045335631

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: -15.621645
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7576535246917118, total energy = -15.621645045335633

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: -15.621645
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7576535101514352, total energy = -15.621645045335633

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: -15.621645
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.757653518300505, total energy = -15.62164504533563

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: -15.621645
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.757653528125958, total energy = -15.621645045335637

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: -15.621645
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.7576535642147064, total energy = -15.621645045335598

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: -15.621645
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.757653546240183, total energy = -15.62164504533563

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: -15.621645
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.757653537392617, total energy = -15.621645045335645

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: -15.621645
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7576535396277917, total energy = -15.62164504533568

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: -15.621645
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7576535110129035, total energy = -15.621645045335637

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: -15.621645
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7576535306870937, total energy = -15.621645045335631

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: -15.621645
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.75765352062881, total energy = -15.621645045335644

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: -15.621645
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.7576535463333136, total energy = -15.62164504533563

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: -15.621645
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 2.757653528451919, total energy = -15.621645045335633

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: -15.621645
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.757653529569507, total energy = -15.621645045335686

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: -15.621645
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7576535212574527, total energy = -15.621645045335624

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: -15.621645
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7576535183005024, total energy = -15.621645045335606

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: -15.621645
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.757653529569506, total energy = -15.621645045335683

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: -15.621645
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7576535281259558, total energy = -15.62164504533564

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: -15.621645
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7576535740867243, total energy = -15.621645045335596

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: -15.621645
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7576535642147064, total energy = -15.621645045335598

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: -15.621645
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.757653555856083, total energy = -15.621645045335633

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: -15.621645
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.757653546333313, total energy = -15.62164504533563

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: -15.621645
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.757653546333314, total energy = -15.62164504533563

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: -15.621645
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7576535377884257, total energy = -15.621645045335637

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: -15.621645
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7576535753905773, total energy = -15.621645045335562

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: -15.621645
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.7576535396277873, total energy = -15.62164504533565

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: -15.621645
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.757653527054935, total energy = -15.62164504533562

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: -15.621645
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7576535110129057, total energy = -15.62164504533565

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: -15.621645
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.7576535448228205, total energy = -15.621645045335642

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: -15.621645
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.757653527194634, total energy = -15.62164504533563

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: -15.621645
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.757653528451914, total energy = -15.62164504533561

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: -15.621645
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7576535289408626, total energy = -15.62164504533563

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: -15.621645
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.7576535219210228, total energy = -15.621645045335613

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: -15.621645
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.757653547357765, total energy = -15.62164504533562

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: -15.621645
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7576535028783837, total energy = -15.621645045335598

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: -15.621645
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7576535284519137, total energy = -15.62164504533562

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: -15.621645
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.757653540384488, total energy = -15.621645045335608

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: -15.621645
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7576535295694997, total energy = -15.621645045335626

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: -15.621645
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7576535489468332, total energy = -15.621645045335596

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: -15.621645
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7576535094704013, total energy = -15.621645045335606

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.75765353] Angstroms and c = 3.602583485242845 = ([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 = 6.25 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 = [2.75765353] Angstroms and c = 3.827744953070523 = ([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 = 6.25 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 = [2.75765353] Angstroms and c = 4.052906420898201 = ([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 = 6.25 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 = [2.75765353] Angstroms and c = 4.278067888725879 = ([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 = 6.25 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 = [2.75765353] Angstroms and c = 4.503229356553557 = ([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 = 6.25 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 = [2.75765353] Angstroms and c = 4.7283908243812345 = ([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 = 6.25 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 = [2.75765353] Angstroms and c = 4.953552292208912 = ([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 = 6.25 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 = [2.75765353] Angstroms and c = 5.17871376003659 = ([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 = 6.25 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 = [2.75765353] Angstroms and c = 5.403875227864268 = ([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 = 6.25 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 = [2.75765353] Angstroms, c = [4.50322936] Angstroms, c/a = 1.632993

 Total energy: -15.621645045335686 eV

 Cohesive energy: -3.9054112613339216 eV/atom

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