Element = Lattice = Model = Element: V
Lattice: hcp
Model: EAM_Dynamo_HanZepedaAckland_2003_V__MO_411020944797_001
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))

Optimization terminated successfully.
         Current function value: -20.569636
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.790705591812733, total energy = -20.569636099513872

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: -20.569636
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.790705593302845, total energy = -20.56963609951389

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: -20.569636
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.790705608204007, total energy = -20.569636099513886

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: 82
Results for this minimization:
  a = 2.790705589950091, total energy = -20.569636099513882

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.790705605596307, total energy = -20.569636099513872

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7907055875868556, 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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7907055877149105, total energy = -20.569636099513882

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.790705581777729, total energy = -20.569636099513875

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: 72
Results for this minimization:
  a = 2.7907055824995064, total energy = -20.569636099513875

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7907055813120687, total energy = -20.56963609951388

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7907055983319884, total energy = -20.569636099513875

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: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.7907055942341676, total energy = -20.569636099513875

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: 76
Results for this minimization:
  a = 2.790705608029384, total energy = -20.56963609951387

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: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.79070559553802, total energy = -20.569636099513872

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: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.790705594047904, 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: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.7907055865973227, total energy = -20.56963609951388

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 = 2.790705584362149, total energy = -20.569636099513875

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: 73
Results for this minimization:
  a = 2.79070558026433, total energy = -20.56963609951388

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: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.790705589100253, total energy = -20.569636099513893

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: 75
Results for this minimization:
  a = 2.790705593302845, 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: 73
Results for this minimization:
  a = 2.790705582825466, total energy = -20.569636099513882

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: 75
Results for this minimization:
  a = 2.7907055923249553, total energy = -20.569636099513882

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: 76
Results for this minimization:
  a = 2.790705582126975, total energy = -20.569636099513875

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.790705578797494, total energy = -20.569636099513886

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: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.7907055942341676, total energy = -20.56963609951388

==============================================================================
==============================================================================
 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 = 3.6457625150020037 = ([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 = 4.0 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 = [2.79070559] Angstroms and c = 3.873622672189629 = ([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 = 4.0 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 = [2.79070559] Angstroms and c = 4.101482829377254 = ([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 = 4.0 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 = [2.79070559] Angstroms and c = 4.32934298656488 = ([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 = 4.0 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 = [2.79070559] Angstroms and c = 4.5572031437525045 = ([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 = 4.0 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 = [2.79070559] Angstroms and c = 4.785063300940131 = ([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 = 4.0 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 = [2.79070559] Angstroms and c = 5.012923458127755 = ([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 = 4.0 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 = [2.79070559] Angstroms and c = 5.240783615315381 = ([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 = 4.0 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 = [2.79070559] Angstroms and c = 5.468643772503006 = ([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 = 4.0 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 = [2.79070559] Angstroms, c = [4.55720314] Angstroms, c/a = 1.632993

 Total energy: -20.569636099513893 eV

 Cohesive energy: -5.142409024878473 eV/atom

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