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FitProcess

This page gives hints on how to fit the anharmonic part of a model in multibinit.

Introduction

The fit process implemented in multibinit is based on [Escorihuela-Sayalero2017]. The fit process of multibinit contains two main options:

  • Generate the list of symmetry-adapted terms
  • Select the best coefficients in the list with the fit process

In the first option, multibinit will generate a set of coefficients only if fit_generatecoeff is set to one. This generation is mainly parametrized by fit_rangepower and fit_cutoff. You can avoid the generation by providing a list of coefficients with the model_anharmonic.XML file (see multibinit help file).

Then, the fit process will select the coefficients one by one up to fit_ncoeff according to the procedure details in [Escorihuela-Sayalero2017]. This process requires to provide the training_set_HIST.nc list file (see multibinit help file)

Tutorials

The First lesson on Multibinit explains how to build a lattice model and to run a dynamics.

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Selected Input Files

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