Element = Lattice = Model = Element: Re
Lattice: hcp
Model: EAM_Dynamo_BonnyBakaevTerentyev_2017_WRe__MO_234187151804_000
Computed model cutoff of 5.460437498241675 Angstroms
Computed isolated atomic energy of 0.0 eV for species Re

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Calling "compute" failed.
Continuing...


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: -32.112392
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7501993611454996, total energy = -32.11239183644784

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: -32.112392
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7501993814017642, total energy = -32.11239183644778

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: -32.112392
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7501993429847067, total energy = -32.11239183644781

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: -32.112392
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7501993699988816, total energy = -32.11239183644786

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: -32.112392
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7501993656158463, total energy = -32.11239183644777

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: -32.112392
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.750199385447196, total energy = -32.11239183644772

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: -32.112392
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.750199366454036, total energy = -32.11239183644785

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: -32.112392
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.7501993773505076, total energy = -32.112391836447784

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: -32.112392
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.750199370086193, total energy = -32.112391836447856

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: -32.112392
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.7501993781886993, total energy = -32.112391836447806

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: -32.112392
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7501993773505093, total energy = -32.11239183644778

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: -32.112392
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.750199368223548, total energy = -32.11239183644774

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: -32.112392
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.750199370086192, total energy = -32.11239183644785

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: -32.112392
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7501993719488382, total energy = -32.11239183644777

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: -32.112392
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7501993530255273, total energy = -32.112391836447834

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: -32.112392
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7501993554789803, total energy = -32.112391836447834

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: -32.112392
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7501993500743978, total energy = -32.11239183644774

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: -32.112392
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.7501993708312495, total energy = -32.11239183644778

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: -32.112392
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7501993699988816, total energy = -32.112391836447856

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: -32.112392
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.750199347542363, total energy = -32.112391836447806

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: -32.112392
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7501993745565407, total energy = -32.112391836447834

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: -32.112392
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.7501994080841556, total energy = -32.112391836447685

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: -32.112392
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7501993934623883, total energy = -32.112391836447706

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: -32.112392
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.7501993384212255, total energy = -32.1123918364477

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: -32.112392
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7501993664540314, total energy = -32.11239183644784

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: -32.112392
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7501993599493275, total energy = -32.1123918364478

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: -32.112392
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.7501993738114843, total energy = -32.112391836447784

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: -32.112392
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7501993886660756, total energy = -32.11239183644777

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: -32.112392
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.750199370086193, total energy = -32.11239183644785

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: -32.112392
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7501993817335406, total energy = -32.11239183644781

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: -32.112392
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7501993781886975, total energy = -32.11239183644781

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: -32.112392
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7501993510872147, total energy = -32.11239183644781

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: -32.112392
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.750199375237568, total energy = -32.11239183644785

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.75019937] Angstroms and c = 3.592845411957877 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.120000
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.7609998922074297, c = 4.456000106040102, total energy = -32.1199999980757

Attempting to perform relaxation using initial lattice constant guess of a = [2.75019937] Angstroms and c = 3.8173982502052444 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.120000
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.760999887863068, c = 4.4559999667656545, total energy = -32.119999998075706

Attempting to perform relaxation using initial lattice constant guess of a = [2.75019937] Angstroms and c = 4.0419510884526115 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.120000
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.7609999153194957, c = 4.456000003642258, total energy = -32.11999999807578

Attempting to perform relaxation using initial lattice constant guess of a = [2.75019937] Angstroms and c = 4.266503926699979 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.120000
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.7609999387639044, c = 4.455999966118835, total energy = -32.119999998075755

Attempting to perform relaxation using initial lattice constant guess of a = [2.75019937] Angstroms and c = 4.491056764947346 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.120000
         Iterations: 64
         Function evaluations: 141
Results for this minimization:
  a = 2.760999925780011, c = 4.456000083680486, total energy = -32.11999999807569

Attempting to perform relaxation using initial lattice constant guess of a = [2.75019937] Angstroms and c = 4.715609603194713 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.120000
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.7609999252722313, c = 4.456000005172768, total energy = -32.11999999807572

Attempting to perform relaxation using initial lattice constant guess of a = [2.75019937] Angstroms and c = 4.94016244144208 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.120000
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.7609999302830843, c = 4.455999993459132, total energy = -32.11999999807575

Attempting to perform relaxation using initial lattice constant guess of a = [2.75019937] Angstroms and c = 5.164715279689448 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.120000
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.760999931731985, c = 4.456000098939608, total energy = -32.11999999807565

Attempting to perform relaxation using initial lattice constant guess of a = [2.75019937] Angstroms and c = 5.3892681179368145 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -32.120000
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.7609999012811066, c = 4.455999992210712, total energy = -32.11999999807571

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

 Final lattice Constants:
   a = 2.7609999153194957 Angstroms, c = 4.456000003642258 Angstroms, c/a = 1.613908

 Total energy: -32.11999999807578 eV

 Cohesive energy: -8.029999999518944 eV/atom

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