Element = Lattice = Model = Element: Pd
Lattice: hcp
Model: MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_000
Computed model cutoff of 5.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pd

==============================================================================
==============================================================================
 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: -15.557345
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.7515472352504755, total energy = -15.557344914998703

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: -15.557345
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7515472393482914, total energy = -15.5573449149987

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: -15.557345
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7515472304075956, total energy = -15.5573449149987

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: -15.557345
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.7515472281782487, total energy = -15.557344914998703

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: -15.557345
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.751547232642773, total energy = -15.5573449149987

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: -15.557345
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.751547238929199, total energy = -15.5573449149987

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: -15.557345
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.75154722891748, total energy = -15.557344914998696

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: -15.557345
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7515472339000553, total energy = -15.5573449149987

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: -15.557345
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.751547232642771, total energy = -15.557344914998698

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: -15.557345
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7515472341794527, total energy = -15.5573449149987

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: -15.557345
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.751547239138745, total energy = -15.557344914998696

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: -15.557345
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.751547247171401, total energy = -15.557344914998692

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: -15.557345
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.751547235995531, total energy = -15.557344914998698

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: -15.557345
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.7515472315251825, total energy = -15.557344914998696

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: -15.557345
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7515472320839756, total energy = -15.5573449149987

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: -15.557345
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.751547230698634, total energy = -15.557344914998701

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: -15.557345
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.751547229290008, total energy = -15.557344914998703

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: -15.557345
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7515472332015634, total energy = -15.557344914998698

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: -15.557345
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7515472352970383, total energy = -15.557344914998701

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: -15.557345
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.751547230966388, total energy = -15.557344914998698

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: -15.557345
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.751547238125931, total energy = -15.5573449149987

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: -15.557345
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7515472254715845, total energy = -15.557344914998701

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: -15.557345
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.751547227788251, total energy = -15.557344914998703

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: -15.557345
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7515472361817936, total energy = -15.557344914998696

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: -15.557345
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7515472393482914, total energy = -15.557344914998698

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: -15.557345
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7515472320839773, total energy = -15.557344914998698

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: -15.557345
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7515472397208187, total energy = -15.557344914998694

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: -15.557345
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.751547234438476, total energy = -15.5573449149987

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: -15.557345
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7515472355764317, total energy = -15.557344914998701

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: -15.557345
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7515472366008886, total energy = -15.557344914998698

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: -15.557345
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7515472272643837, total energy = -15.5573449149987

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: -15.557345
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7515472410857873, total energy = -15.5573449149987

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: -15.557345
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.751547235995531, total energy = -15.557344914998698

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: -15.557345
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.7515472397906655, total energy = -15.557344914998698

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: -15.557345
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7515472354367354, total energy = -15.557344914998701

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: -15.557345
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7515472326427712, total energy = -15.5573449149987

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: -15.557345
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.751547221839424, total energy = -15.557344914998692

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: -15.557345
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.751547227613628, total energy = -15.557344914998696

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: -15.557345
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7515472352504675, total energy = -15.557344914998696

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: -15.557345
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7515472369268514, total energy = -15.557344914998701

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: -15.557345
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7515472337603493, total energy = -15.557344914998701

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 3.5946062557490412 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.7405350789714022, c = 4.529958568084325, total energy = -15.560109468043889

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 3.8192691467333564 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.7405350766897776, c = 4.529958580706354, total energy = -15.560109468043889

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.0439320377176715 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.740535088967615, c = 4.529958555189811, total energy = -15.560109468043892

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.268594928701987 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 64
         Function evaluations: 141
Results for this minimization:
  a = 2.740535074336376, c = 4.5299585521422365, total energy = -15.560109468043889

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.493257819686302 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 64
         Function evaluations: 140
Results for this minimization:
  a = 2.740535078545486, c = 4.529958572942184, total energy = -15.56010946804389

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.717920710670617 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 65
         Function evaluations: 144
Results for this minimization:
  a = 2.7405350979628613, c = 4.5299585657899355, total energy = -15.560109468043883

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 4.942583601654932 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.7405350830881434, c = 4.52995854613995, total energy = -15.560109468043889

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 5.167246492639247 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.7405350739662646, c = 4.529958536943519, total energy = -15.560109468043889

Attempting to perform relaxation using initial lattice constant guess of a = [2.75154724] Angstroms and c = 5.391909383623562 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.560109
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.740535100517383, c = 4.529958532566775, total energy = -15.560109468043887

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

 Final lattice Constants:
   a = 2.740535088967615 Angstroms, c = 4.529958555189811 Angstroms, c/a = 1.652947

 Total energy: -15.560109468043892 eV

 Cohesive energy: -3.890027367010973 eV/atom

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