Dynaphopy Guide with Examples

This repository contains resources for using Dynaphopy, a software for the calculation of phonon properties using molecular dynamics simulations.

Contents

1. Dynaphopy Guide

Refer to the DynaPhoPy Guide for instructions on how to install and run DynaPhoPy together with PhonoPy.

2. Silicon Calculation Example

The Si Calculation directory contains input files and instructions for running a phonon calculation for Silicon.

3. Gallium Nitride Calculation Example

The GaN Calculation directory contains input files and instructions for running a phonon calculation for the bi-atomic compound Gallium Nitride.

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Created and maintained by Alessandro Serra (2024) - DSF @ University of Cagliari