Jx: An open-source software for calculating magnetic interactions based on magnetic force theory
Published: 2 October 2019| Version 1 | DOI: 10.17632/kg5x95gwgj.1
Contributors:
, , , Description
We describe our newly-developed open-source software, named by J_x, to perform magnetic force linear response calculations. J_x is a user-friendly and efficient tool to calculate magnetic interaction in solids and molecules. Without supercell calculation, it computes both short- and long-range interactions. It is also possible to calculate an orbital-resolved matrix form of magnetic couplings. Functionality and formalism are presented with examples. The program architecture and parallel algorithm are also described.
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Categories
Computational Physics, Density Functional Theory, Magnetic Interaction