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| description | authors |
|---|---|
| How to fit build a lattice model in Multibinit | AM |
This page gives hints on how to build a lattice model in multibinit.
Introduction
The MULTIBINIT software is based on a second-principles approach for lattice dynamics simulations using atomic potentials fitted on first-principles calculations cite:Wojdel2013. See the help:multibinit. The set up of a lattice model is the first step of the second-principles approach. It has a harmonic part and possibly an anharmonic part. For the harmonic part, see the tutorial below. For the anharmonic part, see other topics namely, the topic:FitProcess and the topic:BoundingProcess . Then, one can run a dynamics, see the topic:DynamicsMultibinit .
Tutorials
The tutorial:lattice_model explains how to build a lattice model and to run a dynamics.
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