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

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...

Полное описание

Библиографические подробности
Главные авторы:	Patrick, C, Staunton, J
Формат:	Journal article
Язык:	English
Опубликовано:	IOP Science 2022

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