Element = Lattice = Model = Element: W
Lattice: hcp
Model: MEAM_LAMMPS_Lenosky_2017_W__MO_999198119251_002
Computed model cutoff of 5.499999961406003 Angstroms
Computed isolated atomic energy of 0.0 eV for species W

==============================================================================
==============================================================================
 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: -33.667552
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9060120612382923, total energy = -33.6675519711563

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: -33.667552
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9060120254755013, total energy = -33.66755197115624

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: -33.667552
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.906012059189379, total energy = -33.66755197115628

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: -33.667552
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9060120514594088, total energy = -33.66755197115616

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: -33.667552
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.90601208470762, total energy = -33.66755197115619

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: -33.667552
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.906012069416467, total energy = -33.667551971156264

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: -33.667552
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9060120694339275, total energy = -33.66755197115628

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: -33.667552
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.906012057326734, total energy = -33.667551971156215

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: -33.667552
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9060120551846937, total energy = -33.66755197115627

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: -33.667552
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9060120418667807, total energy = -33.66755197115621

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: -33.667552
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.906012038886547, total energy = -33.66755197115617

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: -33.667552
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9060120336711392, total energy = -33.66755197115623

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: -33.667552
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.906012059189379, total energy = -33.66755197115625

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: -33.667552
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.906012074649334, total energy = -33.667551971156186

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: -33.667552
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.9060120507550904, total energy = -33.667551971156165

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: -33.667552
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.9060120673850185, total energy = -33.66755197115629

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: -33.667552
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9060120946960515, total energy = -33.66755197115608

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: -33.667552
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9060120694339275, total energy = -33.66755197115624

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: -33.667552
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.906012069416466, total energy = -33.66755197115624

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: -33.667552
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.906012043915689, total energy = -33.667551971156264

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: -33.667552
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.906012069433927, total energy = -33.667551971156264

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: -33.667552
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9060121037211495, total energy = -33.66755197115607

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: -33.667552
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.906012057326734, total energy = -33.66755197115622

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: -33.667552
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9060121029615376, total energy = -33.667551971156016

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: -33.667552
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9060120521113264, total energy = -33.667551971156215

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: -33.667552
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9060120469453996, total energy = -33.6675519711562

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: -33.667552
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.90601204523118, total energy = -33.66755197115619

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: -1.667118
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 4.594045452773571, total energy = -1.6671184594756998

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: -33.667552
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9060120489448265, total energy = -33.66755197115621

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: -1.667118
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.594045454676962, total energy = -1.6671184594757003

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: -33.667552
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.906012033671142, total energy = -33.667551971156136

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: -0.754394
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 5.091918725577127, total energy = -0.7543944919971999

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: -33.667552
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.906012057326734, total energy = -33.66755197115621

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: -0.754394
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 5.0919187143445015, total energy = -0.7543944919971977

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: -33.667552
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.906012072754673, total energy = -33.66755197115619

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: -0.754394
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 5.091918714216445, total energy = -0.7543944919971987

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: -0.754394
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 5.091918726731091, total energy = -0.7543944919971985

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.90601206] Angstroms and c = 3.796398259417279 = ([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 = 5.5 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 = [2.90601206] Angstroms and c = 4.033673150630859 = ([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 = 5.5 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 = [2.90601206] Angstroms and c = 4.27094804184444 = ([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 = 5.5 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 = [2.90601206] Angstroms and c = 4.508222933058019 = ([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 = 5.5 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 = [2.90601206] Angstroms and c = 4.745497824271599 = ([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 = 5.5 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 = [2.90601206] Angstroms and c = 4.982772715485179 = ([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 = 5.5 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 = [2.90601206] Angstroms and c = 5.22004760669876 = ([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 = 5.5 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 = [2.90601206] Angstroms and c = 5.457322497912339 = ([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 = 5.5 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 = [2.90601206] Angstroms and c = 5.694597389125919 = ([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 = 5.5 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 = [2.90601206] Angstroms, c = [4.74549782] Angstroms, c/a = 1.632993

 Total energy: -33.6675519711563 eV

 Cohesive energy: -8.416887992789075 eV/atom

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