CRYSTAL23

CRYSTAL23 v1.0.1, a powerful and scalable computational tool for solid state chemistry and physics was released on 19 December 2022. The code is described in a special issue of Journal of Theory and Computation, https://doi.org/10.1021/acs.jctc.2c00958. Details how to...

Release of UK Toscam, DMFT for ONETEP

TOSCAM (Toolbox for Strongly Correlated Approaches to Molecules), a DMFT implementation for the linear scaling UK software ONETEP has recently been released. This is both an integration within ONETEP, but with an external open source engine available at toscam.org....

Mike Payne Birthday Celebration

This symposium celebrating the life and work of Professor Mike Payne (ex-Chair of CCP9) on the occasion of his 60th birthday was held at Pembroke College, Cambridge, on the 11th of January 2020. There were 18 invited talks from people who have worked closely with Mike...

CCP9 renewal

The results of the recent EPSRC CCP grant call have been announced – the CCP9 proposal has been funded and with the full requested CoSeC allocation.

ONETEP Masterclass 2019

The ONETEP Masterclass 2019 took place at the Arden Conference Centre, University of Warwick, from 27th-30th August, organized by James Womack, Joly Aarons, Joseph Prentice, and Nicholas Hine. – Meeting Report