Element = Lattice = Model = Element: Ge
Lattice: hcp
Model: SW_DingAndersen_1986_Ge__MO_775478537242_000
Computed model cutoff of 3.8692848441004783 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ge

==============================================================================
==============================================================================
 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: -10.976497
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1308635234832805, total energy = -10.97649734884985

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: -10.976497
         Iterations: 43
         Function evaluations: 91
Results for this minimization:
  a = 3.1308634964749222, total energy = -10.97649734884987

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: -10.976497
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.130863514728844, total energy = -10.976497348849875

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: -10.976497
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.130863507092007, total energy = -10.976497348849884

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: -10.976497
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.1308634959161323, total energy = -10.976497348849877

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: -10.976497
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 3.130863505508752, total energy = -10.976497348849902

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: -10.976497
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.1308635075576605, total energy = -10.976497348849888

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: -10.976497
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.1308635050663725, total energy = -10.976497348849879

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: -10.976497
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.1308635145425825, total energy = -10.976497348849891

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: -10.976497
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.130863505508752, total energy = -10.976497348849882

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: -10.976497
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1308634964749222, total energy = -10.976497348849872

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: -10.976497
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.13086350597441, total energy = -10.976497348849891

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: -10.976497
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.130863514728844, total energy = -10.976497348849888

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: -10.976497
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.1308635062538097, total energy = -10.976497348849882

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: -10.976497
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.130863515287639, total energy = -10.976497348849874

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: -10.976497
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.13086351454258, total energy = -10.976497348849882

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: -10.976497
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 3.1308635054156193, total energy = -10.976497348849891

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: -10.976497
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.1308635068126023, total energy = -10.976497348849875

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: -10.976497
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 3.1308635057357597, total energy = -10.976497348849886

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: -10.976497
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.1308635149151085, total energy = -10.97649734884988

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: -10.976497
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.1308635062538084, total energy = -10.976497348849886

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: -10.976497
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.13086350755766, total energy = -10.97649734884987

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: -10.976497
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.1308635068126023, total energy = -10.976497348849872

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: -10.976497
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.130863514452356, total energy = -10.976497348849874

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.13086351] Angstroms and c = 4.090142956158865 = ([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 = [3.13086351] Angstroms and c = 4.345776890918795 = ([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 = [3.13086351] Angstroms and c = 4.601410825678724 = ([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 = [3.13086351] Angstroms and c = 4.8570447604386535 = ([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 = [3.13086351] Angstroms and c = 5.112678695198583 = ([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 = [3.13086351] Angstroms and c = 5.368312629958512 = ([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 = [3.13086351] Angstroms and c = 5.623946564718442 = ([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 = [3.13086351] Angstroms and c = 5.879580499478371 = ([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 = [3.13086351] Angstroms and c = 6.135214434238301 = ([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 = [3.13086351] Angstroms, c = [5.1126787] Angstroms, c/a = 1.632993

 Total energy: -10.976497348849902 eV

 Cohesive energy: -2.7441243372124755 eV/atom

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