Element = Lattice = Model = Element: W
Lattice: hcp
Model: MEAM_LAMMPS_LeeBaskesKim_2001_W__MO_227263111062_001
Computed model cutoff of 3.8000000056624454 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: -33.774196
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8365703105926556, total energy = -33.77419563830837

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: -33.774196
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.836570318043231, total energy = -33.77419563830837

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: -33.774196
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8365703225135803, total energy = -33.77419563830837

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: -33.774196
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8365703016519603, total energy = -33.77419563830837

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: -33.774196
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.836570322373885, total energy = -33.77419563830837

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: -33.774196
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8365703180432336, total energy = -33.77419563830837

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: -33.774196
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8365703098475934, total energy = -33.77419563830838

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: -33.774196
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8365703001618385, total energy = -33.77419563830836

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: -33.774196
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.836570313572886, total energy = -33.77419563830838

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: -33.774196
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8365703089162717, total energy = -33.77419563830838

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: -33.774196
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.836570304841734, total energy = -33.77419563830838

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: -33.774196
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8365703137591476, total energy = -33.77419563830837

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: -33.774196
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.83657031878829, total energy = -33.77419563830838

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: -33.774196
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.8365703124552977, total energy = -33.77419563830838

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: -33.774196
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.8365703159943223, total energy = -33.77419563830838

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: -33.774196
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.836570311337709, total energy = -33.77419563830837

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: -33.774196
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8365703124552963, total energy = -33.77419563830838

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: -33.774196
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.836570310173556, total energy = -33.77419563830838

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: -33.774196
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.836570318043231, total energy = -33.77419563830837

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: -33.774196
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8365703116520304, total energy = -33.77419563830838

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: -33.774196
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.836570304632186, total energy = -33.77419563830837

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: -33.774196
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8365703172981727, total energy = -33.77419563830837

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: -33.774196
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8365703113377094, total energy = -33.77419563830837

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: -33.774196
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.836570306774225, total energy = -33.774195638308385

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.83657031] Angstroms and c = 3.7056799312676256 = ([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 = 3.875 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 = [2.83657031] Angstroms and c = 3.937284926971852 = ([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 = 3.875 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 = [2.83657031] Angstroms and c = 4.168889922676079 = ([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 = 3.875 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 = [2.83657031] Angstroms and c = 4.400494918380305 = ([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 = 3.875 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 = [2.83657031] Angstroms and c = 4.632099914084532 = ([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 = 3.875 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 = [2.83657031] Angstroms and c = 4.863704909788758 = ([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 = 3.875 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 = [2.83657031] Angstroms and c = 5.095309905492985 = ([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 = 3.875 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 = [2.83657031] Angstroms and c = 5.3269149011972114 = ([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 = 3.875 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 = [2.83657031] Angstroms and c = 5.558519896901438 = ([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 = 3.875 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 = [2.83657031] Angstroms, c = [4.63209991] Angstroms, c/a = 1.632993

 Total energy: -33.774195638308385 eV

 Cohesive energy: -8.443548909577096 eV/atom

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