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Implementation of the magnetic force theorem for large-scale calculations of magnon bands: application to yttrium iron garnet

Skovhus, Thorbjørn et al.
arXiv (All) · Papers
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materials-science
We present an efficient implementation of the magnetic force theorem which allows for direct evaluation of exchange parameters in q-space. The exchange parameters are calculated directly from Bloch states and the implementation does not rely on any mapping onto localized orbitals. This renders the a
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