Python package for extracting and manipulating Born Effective Charges from QuantumEspresso Output
PyBEC is available via the Python Package Index (PyPI).
Inside the virtual environment for your project:
pip install pybec
First install PyBEC as discussed above.
There is an associated Jupyter Notebook that demonstrates a lot of the packages parsing and plotting capabilities. It can be found in the release archive for each github release. Download and extract the archive, and run the contained Jupyter Notebook.
A user manual and API documentation are available online.
Copyright (c) 2020, Brett Henderson
Project based on the Computational Molecular Science Python Cookiecutter version 1.3.