MARMOT: magnetism, anisotropy, and more, using the relativistic disordered local moment picture at finite temperature

We present MARMOT, a hybrid Python/FORTRAN implementation of the disordered local moment picture within multiple scattering density-functional theory. MARMOT takes atom-centred, scalar-relativistic potentials and constructs an effective medium (within the coherent potential approximation) to describe...

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Bibliographic Details
Main Authors: Patrick, C, Staunton, J
Format: Journal article
Language:English
Published: IOP Science 2022