MaterialsAtlas Software and Tool

SIESTA

dftlocalized-orbitalslarge-scaletransportsoftware-toolsmaterials-science-software

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Efficient localized-orbital DFT package for large materials systems, defects, surfaces, interfaces, nanostructures, transport, and molecular systems.

Citation: SIESTA. Materials science software/tool. https://siesta-project.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 orbitals

LicenseGPL

Contributorssiesta-project.org