How to cite
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Reliability and applicability of magnetic-force linear response theory: Numerical parameters, predictability, and orbital resolution
In this paper, we examined spin exchange interaction J on classical magnetic metal, insulator systems by MFT. Extensive tests were performed on numerical parameter dependences such as basis orbital set, LDA + U parameter. Also, comparisons were made between MFT based on meta-stable spin configurations, and expansion to orbital-resolved magnetic interactions are presented.
Jx: An open-source software for calculating magnetic interactions based on magnetic force theory.
The Opensource Jx code paper. In this paper, we presented why our code is user-friendly and also efficient tool to calculate magnetic interaction in solids and molecules. We also describe the advantages of computing short- and long-range interactions in one-shot and capability of computing orbital-resolved matrices, local axis rotation.
List of papers used Jx
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- Reliability and applicability of magnetic-force linear response theory: Numerical parameters, predictability, and orbital resolution
- Calculating magnetic interactions in organic electrides
- Charge density functional plus U theory of LaMnO3: Phase diagram, electronic structure, and magnetic interaction
- Microscopic understanding of magnetic interactions in bilayer CrI3
- Magnetic force theory combined with quasi-particle self-consistent GW method
- On the origin and the manipulation of ferromagnetism in Fe3GeTe2: defects and dopings
- Jx: An open-source software for calculating magnetic interactions based on magnetic force theory.