Data for the publication "Targeted Fine-Tuning of Machine-Learning Interatomic Potentials for Phonons and Phase Transitions"

This repository provides the Python scripts and the DFT and ML data used in the paper "Targeted Fine-Tuning of Machine-Learning Interatomic Potentials for Phonons and Phase Transitions".It enables the reproduction of the main results, including phonon band structures, thermal and elastic properties, and phase transition analysis.