Psi-k highlight 157

The April Psi-k highlight entitled “GPAW: An open Python package for electronic-structure calculations” by Jens Jørgen Mortensen et al. is available at

CECAM Call for proposals 2024/25

The deadline for submitting a proposal is 16th of July 2023. Additional information can be found at Please feel free to share this e-mail with anyone you think might be interested in applying. If requesting funding form the DARESBURY-UK-CECAM...


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, 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