AlphaUncommon
SMTG-Bham/doped
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.
- Owner
- SMTG-Bham (organization)
- Stars
- Stars: 285
- Forks
- Forks: 52
- Language
- Python
- License
- MIT
- Created
- 2020
- Topics
- ab-initiocomputational-chemistrycomputational-materials-sciencedefect-formation-energydefectsdftdopingfermi-levelpoint-defectspymatgen
- Tier
- Alpha (250 to 699 ★) What this tier means
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