Welcome to the AtomistIICO Repository!
This repository aims to provide a comprehensive collection of scripts for Quantum Espresso and GPAW, designed to facilitate the post-processing of data from computational physics and materials science simulations.
Objectives
The primary objectives of this repository are:
- To Share Useful Scripts: A curated set of scripts tailored for Quantum Espresso and GPAW users.
- To Streamline Post-Processing: Simplify and enhance the post-processing steps involved in computational data analysis.
- To Foster Collaboration: Encourage collaboration and contributions from the community to expand and improve the script collection.