Element = Lattice = Model = Element: H
Lattice: hcp
Model: EAM_Dynamo_ZhouBarteltSills_2021_PdHHe__MO_865505436319_000
Computed model cutoff of 5.357678710520281 Angstroms
Computed isolated atomic energy of 9.7756248 eV for species H

==============================================================================
==============================================================================
 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: -8.302546
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.1832202017307307, total energy = -8.302545620682686

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: -8.302546
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.1832202240824694, total energy = -8.30254562068258

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: -8.302546
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.1832202384248376, total energy = -8.302545620682565

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: -8.302546
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.1832202780991827, total energy = -8.302545620682736

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: -8.302546
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.18322025530506, total energy = -8.302545620682661

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: -8.302546
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.1832202798570512, total energy = -8.30254562068263

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: -8.302546
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.183220211416483, total energy = -8.3025456206826

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: -8.302546
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.18322028638795, total energy = -8.302545620682693

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: -8.302546
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.1832202017307285, total energy = -8.30254562068269

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: -8.302546
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.183220217446797, total energy = -8.302545620682569

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: -8.302546
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.183220217376947, total energy = -8.302545620682576

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: -8.302546
         Iterations: 34
         Function evaluations: 77
Results for this minimization:
  a = 2.1832201361656196, total energy = -8.302545620682263

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: -8.302546
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.183220224454999, total energy = -8.302545620682583

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: -8.302546
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.183220245805569, total energy = -8.302545620682682

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: -8.302546
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.1832202782272354, total energy = -8.3025456206827

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: -8.302546
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.1832202624063926, total energy = -8.302545620682771

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: -8.302546
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.1832202553050566, total energy = -8.302545620682615

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: -8.302546
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.183220311999321, total energy = -8.302545620682569

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: -8.302546
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.1832202542806023, total energy = -8.302545620682647

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: -8.302546
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.183220234297913, total energy = -8.302545620682679

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: -8.302546
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.183220232930034, total energy = -8.302545620682633

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: -8.302546
         Iterations: 38
         Function evaluations: 86
Results for this minimization:
  a = 2.1832201872020924, total energy = -8.302545620682572

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: -8.302546
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.183220289181918, total energy = -8.302545620682597

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: -8.302546
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.1832202017307236, total energy = -8.302545620682633

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: -8.302546
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.1832202017307267, total energy = -8.302545620682672

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: -8.302546
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.183220245316626, total energy = -8.302545620682636

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: -8.302546
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.1832202216028205, total energy = -8.302545620682661

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: -8.302546
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.18322028638795, total energy = -8.3025456206827

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: -8.302546
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.18322022701613, total energy = -8.302545620682736

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: -8.302546
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.1832202056131766, total energy = -8.302545620682654

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: -8.302546
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 2.1832201361656214, total energy = -8.302545620682238

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: -8.302546
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.1832202798570473, total energy = -8.30254562068264

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: -8.302546
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.1832202384248376, total energy = -8.302545620682558

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: -8.302546
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.1832202114164767, total energy = -8.302545620682558

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: -8.302546
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.1832202458055674, total energy = -8.3025456206827

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: -8.302546
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.1832202711317237, total energy = -8.302545620682626

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.18322026] Angstroms and c = 2.852147007467124 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.305796
         Iterations: 78
         Function evaluations: 157
Results for this minimization:
  a = 2.193470107854948, c = 3.5331578909501014, total energy = -8.305796439540579

Attempting to perform relaxation using initial lattice constant guess of a = [2.18322026] Angstroms and c = 3.030406195433819 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.305796
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.1934700968419345, c = 3.533157922713631, total energy = -8.305796439540568

Attempting to perform relaxation using initial lattice constant guess of a = [2.18322026] Angstroms and c = 3.2086653834005143 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.305796
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 2.193470084882325, c = 3.533157992186678, total energy = -8.305796439540533

Attempting to perform relaxation using initial lattice constant guess of a = [2.18322026] Angstroms and c = 3.3869245713672096 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.305796
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.1934701154808955, c = 3.533157899699217, total energy = -8.305796439540579

Attempting to perform relaxation using initial lattice constant guess of a = [2.18322026] Angstroms and c = 3.565183759333905 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.305796
         Iterations: 64
         Function evaluations: 139
Results for this minimization:
  a = 2.193470094914011, c = 3.533157744855662, total energy = -8.305796439540519

Attempting to perform relaxation using initial lattice constant guess of a = [2.18322026] Angstroms and c = 3.7434429473006 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.305796
         Iterations: 66
         Function evaluations: 140
Results for this minimization:
  a = 2.1934701499578035, c = 3.533157910850668, total energy = -8.30579643954064

Attempting to perform relaxation using initial lattice constant guess of a = [2.18322026] Angstroms and c = 3.9217021352672954 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.305796
         Iterations: 70
         Function evaluations: 160
Results for this minimization:
  a = 2.1934700707301236, c = 3.5331579161107456, total energy = -8.305796439540671

Attempting to perform relaxation using initial lattice constant guess of a = [2.18322026] Angstroms and c = 4.099961323233991 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.305796
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.193470122614178, c = 3.5331577325980272, total energy = -8.305796439540416

Attempting to perform relaxation using initial lattice constant guess of a = [2.18322026] Angstroms and c = 4.278220511200686 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.305796
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 2.1934699994907625, c = 3.5331580247764602, total energy = -8.305796439540373

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

 Final lattice Constants:
   a = 2.1934700707301236 Angstroms, c = 3.5331579161107456 Angstroms, c/a = 1.610762

 Total energy: -8.305796439540671 eV

 Cohesive energy: -2.076449109885168 eV/atom

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