Element = Lattice = Model = Element: Pd
Lattice: hcp
Model: EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
Computed model cutoff of 6.999699918106219 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: -20.367023
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.72165122861043, total energy = -20.367022713245767

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: -20.367023
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.721651217807084, total energy = -20.36702271324576

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: -20.367023
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7216512113809586, total energy = -20.367022713245746

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: -20.367023
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7216512274928455, total energy = -20.367022713245767

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: -20.367023
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.7216512111015643, total energy = -20.367022713245753

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: -20.367023
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.721651230007412, total energy = -20.367022713245778

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: -20.367023
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.721651218086481, total energy = -20.36702271324576

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: -20.367023
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7216512141749263, total energy = -20.367022713245763

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: -20.367023
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.721651224046947, total energy = -20.36702271324578

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: -20.367023
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.721651226095856, total energy = -20.36702271324577

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: -20.367023
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.721651215397288, total energy = -20.367022713245746

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: -20.367023
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.72165121284197, total energy = -20.367022713245753

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: -20.367023
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7216512113809586, total energy = -20.36702271324574

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: -20.367023
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.721651218086482, total energy = -20.36702271324576

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: -20.367023
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.7216512254439302, total energy = -20.36702271324578

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: -20.367023
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.721651231817667, total energy = -20.367022713245753

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: -20.367023
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7216512249317013, total energy = -20.367022713245756

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: -20.367023
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.721651225583628, total energy = -20.367022713245767

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: -20.367023
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.72165123000741, total energy = -20.367022713245767

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: -20.367023
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7216512278653666, total energy = -20.367022713245767

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: -7.587015
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.677777344733477, total energy = -7.587015228397802

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: -20.367023
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7216512212529764, total energy = -20.36702271324577

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: -10.500313
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.389723915606737, total energy = -10.500312795078374

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: -10.500313
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.389723917841913, total energy = -10.500312795078372

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: -10.500313
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.3897239206358805, total energy = -10.500312795078372

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: -10.500313
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 4.38972391319694, total energy = -10.500312795078374

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: -10.500313
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 4.3897239111363895, total energy = -10.500312795078372

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: -10.500313
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.389723906409927, total energy = -10.500312795078374

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: -10.500313
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 4.389723899960518, total energy = -10.500312795078369

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: -10.500313
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.389723910181783, total energy = -10.500312795078374

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: -10.500313
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.389723914244677, total energy = -10.500312795078376

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: -10.500313
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.389723908621818, total energy = -10.500312795078376

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: -10.500313
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.389723922824487, total energy = -10.500312795078372

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: -10.500313
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.389723912329645, total energy = -10.500312795078376

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: -10.500313
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.389723918959499, total energy = -10.500312795078372

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: -10.500313
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 4.389723894512281, total energy = -10.500312795078369

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: -2.891429
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 6.277018426544966, total energy = -2.891428812306077

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: -2.891429
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 6.277018424123526, total energy = -2.891428812306076

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: -2.891429
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 6.277018423750997, total energy = -2.891428812306076

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: -2.891429
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 6.277018425636924, total energy = -2.891428812306077

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: -2.891429
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 6.277018439210953, total energy = -2.891428812306075

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: -2.891429
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 6.277018428966402, total energy = -2.8914288123060765

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: -2.891429
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 6.27701842742681, total energy = -2.8914288123060765

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: -2.891429
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 6.277018434496131, total energy = -2.891428812306076

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: -2.891429
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 6.277018425427377, total energy = -2.891428812306076

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: -2.891429
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 6.27701843031682, total energy = -2.891428812306076

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: -2.891429
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 6.2770184274762855, total energy = -2.8914288123060765

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: -2.891429
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 6.277018434404454, total energy = -2.891428812306076

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 7.3500000000000005, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.72165122] Angstroms and c = 3.5555502702593484 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.565254
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.804135999593748, c = 4.192737464719455, total energy = -20.56525383095112

Attempting to perform relaxation using initial lattice constant guess of a = [2.72165122] Angstroms and c = 3.7777721621505576 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.565254
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 2.804135992141611, c = 4.1927374621384566, total energy = -20.56525383095113

Attempting to perform relaxation using initial lattice constant guess of a = [2.72165122] Angstroms and c = 3.9999940540417667 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.565254
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.804135989982513, c = 4.192737460781458, total energy = -20.56525383095112

Attempting to perform relaxation using initial lattice constant guess of a = [2.72165122] Angstroms and c = 4.222215945932976 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.565254
         Iterations: 64
         Function evaluations: 140
Results for this minimization:
  a = 2.8041359914932973, c = 4.192737484164453, total energy = -20.565253830951107

Attempting to perform relaxation using initial lattice constant guess of a = [2.72165122] Angstroms and c = 4.444437837824185 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.565254
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.8041359895982745, c = 4.1927374066644285, total energy = -20.565253830951093

Attempting to perform relaxation using initial lattice constant guess of a = [2.72165122] Angstroms and c = 4.666659729715394 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.565254
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.804135999225587, c = 4.1927374459124716, total energy = -20.56525383095112

Attempting to perform relaxation using initial lattice constant guess of a = [2.72165122] Angstroms and c = 4.888881621606603 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.565254
         Iterations: 77
         Function evaluations: 163
Results for this minimization:
  a = 2.804135994379542, c = 4.19273747315931, total energy = -20.56525383095113

Attempting to perform relaxation using initial lattice constant guess of a = [2.72165122] Angstroms and c = 5.111103513497812 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.565254
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.8041360039869385, c = 4.192737464513625, total energy = -20.565253830951114

Attempting to perform relaxation using initial lattice constant guess of a = [2.72165122] Angstroms and c = 5.333325405389021 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.565254
         Iterations: 78
         Function evaluations: 157
Results for this minimization:
  a = 2.804135977691502, c = 4.192737479295561, total energy = -20.56525383095112

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

 Final lattice Constants:
   a = 2.804135992141611 Angstroms, c = 4.1927374621384566 Angstroms, c/a = 1.495198

 Total energy: -20.56525383095113 eV

 Cohesive energy: -5.141313457737782 eV/atom

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