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

Latest news

ONETEP Masterclass 22-24 August 2023

ONETEP training at RAL on 13/1/2023

New ONETEP paper on strontium titanate defects

ONETEP Coding Retreat 2022

Karl Wilkinson Prize

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

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