Jx: An open-source software for calculating magnetic interactions based on magnetic force theory
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Yoon, Hongkee | ko |
| dc.contributor.author | Kim, Taek Jung | ko |
| dc.contributor.author | Sim, Jae-Hoon | ko |
| dc.contributor.author | Han, Myung Joon | ko |
| dc.date.accessioned | 2019-12-13T01:20:36Z | - |
| dc.date.available | 2019-12-13T01:20:36Z | - |
| dc.date.created | 2019-12-06 | - |
| dc.date.created | 2019-12-06 | - |
| dc.date.created | 2019-12-06 | - |
| dc.date.created | 2019-12-06 | - |
| dc.date.created | 2019-12-06 | - |
| dc.date.issued | 2020-02 | - |
| dc.identifier.citation | COMPUTER PHYSICS COMMUNICATIONS, v.247, pp.106927 | - |
| dc.identifier.issn | 0010-4655 | - |
| dc.identifier.uri | http://hdl.handle.net/10203/268742 | - |
| dc.description.abstract | We describe our newly-developed open-source software, named by Jx, to perform magnetic force linear response calculations. Jx 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. Program summary: Program Title: Jx Program Files doi: http://dx.doi.org/10.17632/kg5x95gwgj.1 Licensing provisions: LGPL Programming language: Julia Nature of problem: The first-principles estimation of magnetic interaction in solids and molecules. Solution method: Calculate the magnetic coupling constant based on magnetic force response theory. | - |
| dc.language | English | - |
| dc.publisher | ELSEVIER | - |
| dc.title | Jx: An open-source software for calculating magnetic interactions based on magnetic force theory | - |
| dc.type | Article | - |
| dc.identifier.wosid | 000503093400027 | - |
| dc.identifier.scopusid | 2-s2.0-85072604711 | - |
| dc.type.rims | ART | - |
| dc.citation.volume | 247 | - |
| dc.citation.beginningpage | 106927 | - |
| dc.citation.publicationname | COMPUTER PHYSICS COMMUNICATIONS | - |
| dc.identifier.doi | 10.1016/j.cpc.2019.106927 | - |
| dc.contributor.localauthor | Han, Myung Joon | - |
| dc.contributor.nonIdAuthor | Yoon, Hongkee | - |
| dc.description.isOpenAccess | N | - |
| dc.type.journalArticle | Article | - |
| dc.subject.keywordAuthor | Magnetic interaction | - |
| dc.subject.keywordAuthor | Density functional theory | - |
| dc.subject.keywordAuthor | Magnetic force theory | - |
| dc.subject.keywordPlus | EXCHANGE INTERACTIONS | - |
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