Ab initio treatment of noncollinear magnets with the full-potential linearized augmented plane wave method

Abstract

The massively parallelized full-potential linearized augmented plane-wave bulk and film program FLEUR for first-principles calculations in the context of density functional theory was adapted to allow calculations of materials with complex magnetic structures—i.e., with noncollinear spin arrangements and incommensurate spin spirals. The method developed… (More)

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