ONETEP is a leading linear-scaling DFT code for parallel computers for performing calculations with thousands of atoms with large basis set (plane waves) accuracy….
A one-day ONETEP training event took place at the Rutherford Appleton Laboratory (RAL) for members of the DIAMOND light source, the ISIS neutron and…
Researchers from the University of Technology of Gdansk, Poland have used ONETEP to perform large-scale DFT+U calculations on strontium titanate, a promising material for…
The ONETEP Coding Retreat 2022 took place from the 20th-22nd September, at the Rutherford Appleton Laboratory. The sixteen attendees, were from the ONETEP Developer…
Those with an existing license should contact Jacek Dziedzic for an updated version. Those not yet in possession of a License, see here for…
It is a very good machine for ONETEP – which is already available as a module. See here for some performance benchmarks showing scaling of…
27th August to 30th August 2019, University of Warwick, Coventry, UK Organizers and tutors N. D. M. Hine, J. Aarons (University of Warwick) A….
The ONETEP Coding Retreat 2018 took place from the 10th-14th September, at the Cedar House in the village of Castor, near Peterborough. The thirteen…
29th August to 1st September 2017, University of Warwick, Coventry, UK Organizers and tutors N. D. M. Hine (University of Warwick) L. Ratcliff, A….