MaterialsAtlas Software and Tool

Bader Charge Analysis

badercharge-analysischarge-densitydft-postprocessingcomputational-materials-softwaresoftware-tools

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Computes Bader atomic charges and charge partitioning from DFT charge-density grids.

Citation: Bader Charge Analysis. Computational materials software/tool. https://theory.cm.utexas.edu/henkelman/code/bader/

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

TypeSoftware and Tool

DomainCharge analysis

LicenseFree academic

Contributorstheory.cm.utexas.edu