Electronic structure and finite temperature magnetism of yttrium iron garnet: inputs and converged self-energy

Abstract

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.