CRYSTALClear_Notebooks

This repository contains a curated collection of Jupyter notebooks showcasing usage examples and practical workflows based on the CRYSTALClear package.

The notebooks are designed to demonstrate the core functionalities of CRYSTALClear, providing hands-on examples for:

• I/O for the CRYSTAL code
• Data analysis and post-processing
• Advanced plotting tools (e.g. electron and phonon bands, IR and Raman spectra, elastic properties, ...)

🔗 Usage

These notebooks are intended to be used as companion examples for the official CRYSTALClear documentation. You can view the rendered notebooks directly through the documentation site or clone this repository for local execution:

git clone https://github.com/crystaldevs/CRYSTALClear_Notebooks.git
cd CRYSTALClear_Notebooks

You may need to install the CRYSTALClear package and related dependencies to run the notebooks:

pip install CRYSTALClear

💡 Contribution

If you have ideas for additional examples or improvements, feel free to open an issue or submit a pull request.

📄 License

Distributed under the GPLv3 License.