MaterialsAtlas Software and Tool

ONETEP

linear-scalingdftdefectssurfacescomputational-materials-softwaresoftware-tools

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Linear-scaling DFT code for large molecules, nanostructures, defects, surfaces, and biomaterials.

Citation: ONETEP. Computational materials software/tool. https://onetep.org/

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

TypeSoftware and Tool

DomainLinear-scaling DFT

LicenseCommercial / academic

Contributorsonetep.org