\(AMP^2\): a fully automated program for \textit{ab initio} calculations of crystalline materials

DOI10.1016/J.CPC.2020.107450zbMath1525.82031OpenAlexW3037230292MaRDI QIDQ6040111

Seungwu Han, Kanghoon Yim, Chang-Ho Hong, Yong Youn, Miso Lee, Jisu Jung, Sangtae Kim, Doyeon Kim

Publication date: 24 May 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2020.107450

zbMATH Keywords

density functional theoryautomationcrystalline properties

Mathematics Subject Classification ID

Crystalline structure (74E15) Computational density functional analysis in statistical mechanics (82M36)

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