SELFE computes magnetic ordering temperatures and heat capacity from DFT-derived exchange parameters combined with an efficient self-consistent single-site sampling scheme, matching established methods on BCC-Fe and FCC-Fe with up to 142 times fewer averaging steps.
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Magnetothermal Properties with Sampled Effective Local Field Estimation
SELFE computes magnetic ordering temperatures and heat capacity from DFT-derived exchange parameters combined with an efficient self-consistent single-site sampling scheme, matching established methods on BCC-Fe and FCC-Fe with up to 142 times fewer averaging steps.