Pymatgen Defects Analysis

Pymatgen-analysis-defects is an extension to the core pymatgen library, providing robust tools for analyzing point defects in crystalline materials. It is designed to work seamlessly with VASP inputs and outputs and offers an object-oriented interface to defect physics. The package, currently at version 2026.3.20, is actively maintained with a regular release cadence and is closely integrated with the atomate2 workflow framework, although it can also be used standalone for defect analysis.