Data for the publication "Parameter-Efficient Fine-Tuning of Machine-Learning Interatomic Potentials for Phonon and Thermal Properties"

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