doped
Python package to setup, process and analyse solid-state defect calculations/
Python package to setup, process and analyse solid-state defect calculations/
To install this package, run one of the following:
doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.
Summary
Python package to setup, process and analyse solid-state defect calculations/
Last Updated
Oct 15, 2025 at 03:08
License
MIT
Total Downloads
32.1K
Supported Platforms
GitHub Repository
https://github.com/SMTG-Bham/dopedDocumentation
https://doped.readthedocs.io/en/latest/