GPAW

Python-based DFT code with PAW methods, finite-difference, LCAO, and plane-wave modes. It integrates tightly with ASE for scripting, workflows, structure optimization, and property calculations.

Citation: GPAW. Materials science software/tool. https://gpaw.readthedocs.io/

Acknowledgement: Curated by MaterialsAtlas Open Resources from official project pages, documentation, community usage, and common computational/experimental materials workflows.