ONETEP (Order-N Electronic Total Energy Package) is a linear-scaling code for quantum-mechanical calculations based on density-functional theory.

Latest news

ONETEP training at RAL on 13/1/2023

New ONETEP paper on strontium titanate defects

ONETEP Coding Retreat 2022

ONETEP Academic Release version 6.0 is now available

Karl Wilkinson Prize

The ODG are pleased to announce the winner of the 2019 Karl Wilkinson prize: Subhayan Roychoudhury!

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