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random_bonds

Julien Steffen edited this page May 3, 2023 · 2 revisions

random_bonds [value1] [value2] (optional)

default: 1.0 30.0

Sets the borders within starting values of entries of the alpha parameter vector are spawned for the optimization of EVB coupling parameters with evbopt. For each local Levenberg-Marquardt step, the vector is filled again.

Larger intervals might lead to better results but also to slower convergence (and maybe numerical instabilities, linear dependencies etc.)

For DG-EVB, the lower value cannot be lower than 0.0! (else, divergences would occur)

Needs to be part of the opt_settings section.

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