Element = Lattice = Model = Element: V
Lattice: hcp
Model: EAM_Dynamo_HanZepedaAckland_2003_V__MO_411020944797_000
Computed model cutoff of 3.938662372827531 Angstroms
Computed isolated atomic energy of 0.0 eV for species V

==============================================================================
==============================================================================
 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 "kim_model.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 "kim_model.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 "kim_model.compute" failed.

Continuing...


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: -20.569636
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.790705587901181, total energy = -20.56963609951389

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: -20.569636
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7907055810093917, total energy = -20.569636099513875

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: -20.569636
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.790705586830156, total energy = -20.56963609951388

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: -20.569636
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.790705577284098, total energy = -20.569636099513875

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: -20.569636
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7907055877149105, total energy = -20.569636099513882

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: -20.569636
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7907055960036837, total energy = -20.569636099513872

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: -20.569636
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.7907055919989947, total energy = -20.56963609951389

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: -20.569636
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.790705593302846, total energy = -20.56963609951389

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: -20.569636
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.790705562382935, total energy = -20.569636099513854

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: -20.569636
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.790705595165491, total energy = -20.569636099513886

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: -20.569636
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7907055872259665, total energy = -20.56963609951388

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: -20.569636
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.79070558892563, total energy = -20.569636099513882

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: -20.569636
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7907055903458966, total energy = -20.569636099513882

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: -20.569636
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7907055879943066, total energy = -20.56963609951388

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: -20.569636
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7907055837567896, total energy = -20.569636099513886

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: -20.569636
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7907055889489127, total energy = -20.569636099513882

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: -20.569636
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7907055875664804, total energy = -20.569636099513875

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: -20.569636
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7907055968418715, total energy = -20.56963609951387

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: -20.569636
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.790705593000164, total energy = -20.56963609951388

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: -20.569636
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.790705591905862, total energy = -20.56963609951388

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: -20.569636
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7907055813237065, total energy = -20.56963609951388

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: -20.569636
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7907055784016834, total energy = -20.569636099513872

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.79070559] Angstroms and c = 3.6457625134355425 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.569636
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.790705569578883, c = 4.55720320481502, total energy = -20.56963609951388

Attempting to perform relaxation using initial lattice constant guess of a = [2.79070559] Angstroms and c = 3.873622670525264 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.569636
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.790705596677708, c = 4.557203075835254, total energy = -20.569636099513886

Attempting to perform relaxation using initial lattice constant guess of a = [2.79070559] Angstroms and c = 4.101482827614985 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.569636
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.790705570821052, c = 4.557203133041625, total energy = -20.569636099513882

Attempting to perform relaxation using initial lattice constant guess of a = [2.79070559] Angstroms and c = 4.329342984704707 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.569636
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.790705596561987, c = 4.557203149033901, total energy = -20.569636099513882

Attempting to perform relaxation using initial lattice constant guess of a = [2.79070559] Angstroms and c = 4.557203141794428 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.569636
         Iterations: 59
         Function evaluations: 135
Results for this minimization:
  a = 2.7907055830426306, c = 4.557203137809905, total energy = -20.56963609951389

Attempting to perform relaxation using initial lattice constant guess of a = [2.79070559] Angstroms and c = 4.7850632988841495 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.569636
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.790705593535372, c = 4.557203109422668, total energy = -20.569636099513882

Attempting to perform relaxation using initial lattice constant guess of a = [2.79070559] Angstroms and c = 5.012923455973871 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.569636
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 2.790705583685341, c = 4.557203136235507, total energy = -20.56963609951389

Attempting to perform relaxation using initial lattice constant guess of a = [2.79070559] Angstroms and c = 5.240783613063592 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.569636
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.7907055928798785, c = 4.557203111949519, total energy = -20.56963609951388

Attempting to perform relaxation using initial lattice constant guess of a = [2.79070559] Angstroms and c = 5.468643770153314 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.569636
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 2.7907055965454655, c = 4.557203126755757, total energy = -20.56963609951388

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

 Final lattice Constants:
   a = [2.79070559] Angstroms, c = [4.55720314] Angstroms, c/a = 1.632993

 Total energy: -20.56963609951389 eV

 Cohesive energy: -5.142409024878472 eV/atom

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