Element = Lattice = Model = Element: W
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959LowCutoff_W__MO_489351836217_003
Computed model cutoff of 6.783630002290036 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: -33.475679
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8233206450939217, total energy = -33.47567937172887

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: -33.475679
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.823320661485195, total energy = -33.475679371728916

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: -33.475679
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.823320642230101, total energy = -33.47567937172885

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: -33.475679
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8233206232893338, total energy = -33.47567937172885

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: -33.475679
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.82332063787617, total energy = -33.47567937172887

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: -33.475679
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.823320648935626, total energy = -33.475679371728866

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: -33.475679
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.823320658586454, total energy = -33.47567937172887

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: -33.475679
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8233206619042903, total energy = -33.475679371728866

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: -33.475679
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.82332064509392, total energy = -33.47567937172886

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: -33.475679
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8233206257224097, total energy = -33.47567937172886

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: -33.475679
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8233206614851953, total energy = -33.4756793717289

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: -33.475679
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.823320646258071, total energy = -33.475679371728866

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: -33.475679
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.823320642230101, total energy = -33.475679371728845

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: -33.475679
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.823320651374525, total energy = -33.47567937172887

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: -33.475679
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.8233206579927357, total energy = -33.4756793717289

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: -33.475679
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.823320641682949, total energy = -33.4756793717289

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: -33.475679
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.823320639133452, total energy = -33.4756793717289

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: -33.475679
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8233206644654274, total energy = -33.47567937172887

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: -33.475679
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.823320648632944, total energy = -33.47567937172891

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: -33.475679
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8233206660952415, total energy = -33.475679371728894

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: -33.475679
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8233206585049624, total energy = -33.47567937172888

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: -33.475679
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.823320649482773, total energy = -33.475679371728845

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: -33.475679
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8233206619042903, total energy = -33.47567937172887

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: -33.475679
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8233206860721083, total energy = -33.4756793717288

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: -33.475679
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.823320661485194, total energy = -33.475679371728894

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: -33.475679
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.823320662602783, total energy = -33.475679371728866

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: -33.475679
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.823320628888903, total energy = -33.475679371728816

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: -33.475679
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.823320639843587, total energy = -33.47567937172884

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: -33.475679
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8233206614851913, total energy = -33.475679371728866

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: -33.475679
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8233206244331064, total energy = -33.475679371728816

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: -33.475679
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8233206578705015, total energy = -33.47567937172886

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: -33.475679
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8233206487464457, total energy = -33.4756793717289

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: -33.475679
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8233206421136856, total energy = -33.475679371728845

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: -33.475679
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8233206362870944, total energy = -33.475679371728845

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: -33.475679
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8233206406788662, total energy = -33.47567937172889

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: -33.475679
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8233206680044547, total energy = -33.47567937172883

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: -33.475679
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8233206400647726, total energy = -33.47567937172886

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -33.475679
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8233206472359598, total energy = -33.47567937172886

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -33.475679
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.823320660291932, total energy = -33.4756793717289

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -33.475679
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.823320644116028, total energy = -33.475679371728894

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -33.475679
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8233206475153483, total energy = -33.475679371728866

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -33.475679
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.823320651985701, total energy = -33.47567937172882

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -33.475679
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8233206644654274, total energy = -33.47567937172884

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -33.475679
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.823320625722406, total energy = -33.475679371728816

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -33.475679
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.823320648481598, total energy = -33.47567937172883

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -33.475679
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8233206487260674, total energy = -33.475679371728866

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -33.475679
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.823320641028109, total energy = -33.47567937172885

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -33.475679
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8233206626027822, total energy = -33.47567937172885

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.82332066] Angstroms and c = 3.688370667144428 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.475680
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.8232132223992696, c = 4.610813560658926, total energy = -33.475680354459556

Attempting to perform relaxation using initial lattice constant guess of a = [2.82332066] Angstroms and c = 3.9188938338409547 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.475680
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.8232132043295697, c = 4.610813568189867, total energy = -33.47568035445952

Attempting to perform relaxation using initial lattice constant guess of a = [2.82332066] Angstroms and c = 4.149417000537481 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.475680
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 2.823213243007027, c = 4.610813485303227, total energy = -33.475680354459534

Attempting to perform relaxation using initial lattice constant guess of a = [2.82332066] Angstroms and c = 4.3799401672340075 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.475680
         Iterations: 68
         Function evaluations: 142
Results for this minimization:
  a = 2.8232132205766223, c = 4.610813499851703, total energy = -33.475680354459534

Attempting to perform relaxation using initial lattice constant guess of a = [2.82332066] Angstroms and c = 4.610463333930534 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.475680
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.823213213363978, c = 4.610813557288942, total energy = -33.475680354459534

Attempting to perform relaxation using initial lattice constant guess of a = [2.82332066] Angstroms and c = 4.840986500627061 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.475680
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.823213231924238, c = 4.610813608569245, total energy = -33.475680354459534

Attempting to perform relaxation using initial lattice constant guess of a = [2.82332066] Angstroms and c = 5.071509667323587 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.475680
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.823213209638918, c = 4.610813547810442, total energy = -33.475680354459584

Attempting to perform relaxation using initial lattice constant guess of a = [2.82332066] Angstroms and c = 5.302032834020114 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.475680
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.823213186557565, c = 4.6108136095136025, total energy = -33.47568035445951

Attempting to perform relaxation using initial lattice constant guess of a = [2.82332066] Angstroms and c = 5.5325560007166406 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -33.475680
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.823213222821854, c = 4.610813569892189, total energy = -33.47568035445954

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

 Final lattice Constants:
   a = 2.823213209638918 Angstroms, c = 4.610813547810442 Angstroms, c/a = 1.633179

 Total energy: -33.475680354459584 eV

 Cohesive energy: -8.368920088614896 eV/atom

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