MaterialsAtlas Software and Tool

OpenMX

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DFT package using optimized pseudoatomic localized basis functions for crystals, surfaces, interfaces, magnetism, spin-orbit effects, and large-scale electronic structure.

Citation: OpenMX. Materials science software/tool. https://www.openmx-square.org/

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

TypeSoftware and Tool

DomainDFT / localized basis

LicenseOpen source / free academic

Contributorsopenmx-square.org