MaterialsAtlas Software and Tool

qeirreps

quantum-espressosymmetrytopologyirreducible-representationscomputational-materials-softwaresoftware-tools

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Calculates irreducible representations and parity/topological indicators from Quantum ESPRESSO outputs.

Citation: qeirreps. Computational materials software/tool. https://github.com/matsugatani/qeirreps

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

TypeSoftware and Tool

DomainQE symmetry analysis

LicenseMIT

Contributorsmatsugatani/qeirreps