The Scientific Computing Department provides large scale HPC facilities, computing data services and infrastructure at both STFC Daresbury Laboratory and STFC Rutherford Appleton Laboratory.
Electronic structure and finite temperature magnetism of yttrium iron garnet
(Joseph Barker, Dimitar Pashov, Jerome Jackson)
This archive contains the configuration files, converged self-energy, and restart data needed to reproduced the published calculations: QSGW description of electronic and magnetic properties of YIG. Tabulated Heisenberg interactions for LDA and QSGW are included. https://arxiv.org/abs/2009.14601 https://www.questaal.org.