Element = Lattice = Model = Element: V
Lattice: hcp
Model: EAM_Dynamo_Olsson_2009_V__MO_944449444863_000
Computed model cutoff of 4.544574559219212 Angstroms
Computed isolated atomic energy of -1e-07 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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 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 = 1.5 Angstroms
Exception message:
Calling kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
Continuing...


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: -20.689827
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.725255793333055, total energy = -20.689826805659933

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: -20.689827
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7252558410167698, total energy = -20.68982680565991

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: -20.689827
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7252557859756052, total energy = -20.68982680565993

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: -20.689827
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.725255793333056, total energy = -20.689826805659933

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: -20.689827
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7252557902596903, total energy = -20.689826805659916

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: -20.689827
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.72525584017858, total energy = -20.689826805659916

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: -20.689827
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.7252557821571823, total energy = -20.689826805659923

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: -20.689827
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.7252557950560004, total energy = -20.689826805659937

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: -20.689827
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.725255841077887, total energy = -20.68982680565992

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: -20.689827
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.7252557933330546, total energy = -20.689826805659933

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: -20.689827
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.725255799852312, total energy = -20.68982680565993

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: -20.689827
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.7252557896077625, total energy = -20.68982680565992

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: -20.689827
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.725255785335321, total energy = -20.689826805659937

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: -20.689827
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.7252557933330532, total energy = -20.689826805659937

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: -20.689827
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.725255792401731, total energy = -20.68982680565993

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: -20.689827
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7252558358013617, total energy = -20.689826805659912

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: -20.689827
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7252557802363286, total energy = -20.689826805659916

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: -20.689827
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.72525579854846, total energy = -20.68982680565991

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: -20.689827
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7252557880245116, total energy = -20.689826805659916

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: -20.689827
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7252558283507815, total energy = -20.68982680565991

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: -20.689827
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7252557851374166, total energy = -20.68982680565992

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: -20.689827
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.725255810841915, total energy = -20.68982680565992

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: -20.689827
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7252557950560004, total energy = -20.68982680565992

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: -20.689827
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.72525579910725, total energy = -20.689826805659912

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: -20.689827
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7252557982341377, total energy = -20.689826805659923

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.7252558] Angstroms and c = 3.560259262106714 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.689828
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 2.725800216145149, c = 4.448518009590931, total energy = -20.689828348090003

Attempting to perform relaxation using initial lattice constant guess of a = [2.7252558] Angstroms and c = 3.7827754659883834 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.689828
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.725800293563879, c = 4.448517922001878, total energy = -20.689828348090003

Attempting to perform relaxation using initial lattice constant guess of a = [2.7252558] Angstroms and c = 4.0052916698700525 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.689828
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.7258002866506263, c = 4.448517828298801, total energy = -20.689828348090007

Attempting to perform relaxation using initial lattice constant guess of a = [2.7252558] Angstroms and c = 4.227807873751722 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.689828
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.725800225403348, c = 4.448517999365354, total energy = -20.689828348089993

Attempting to perform relaxation using initial lattice constant guess of a = [2.7252558] Angstroms and c = 4.450324077633391 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.689828
         Iterations: 64
         Function evaluations: 143
Results for this minimization:
  a = 2.725800249296518, c = 4.448517824526273, total energy = -20.689828348090003

Attempting to perform relaxation using initial lattice constant guess of a = [2.7252558] Angstroms and c = 4.672840281515061 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.689828
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 2.7258002585780483, c = 4.448517938463693, total energy = -20.689828348090007

Attempting to perform relaxation using initial lattice constant guess of a = [2.7252558] Angstroms and c = 4.89535648539673 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.689828
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.7258002493677207, c = 4.448517891665874, total energy = -20.689828348090007

Attempting to perform relaxation using initial lattice constant guess of a = [2.7252558] Angstroms and c = 5.1178726892784 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.689828
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.7258002458033266, c = 4.448517883379363, total energy = -20.689828348090007

Attempting to perform relaxation using initial lattice constant guess of a = [2.7252558] Angstroms and c = 5.340388893160069 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.689828
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 2.725800213535578, c = 4.448518029429566, total energy = -20.689828348089996

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

 Final lattice Constants:
   a = 2.7258002866506263 Angstroms, c = 4.448517828298801 Angstroms, c/a = 1.632004

 Total energy: -20.689828348090007 eV

 Cohesive energy: -5.172457087022502 eV/atom

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