Influence of k-point sampling on stability of structures obtained by ab initio MD simulations

DOI10.1016/S0010-4655(01)00346-0zbMath0994.82032OpenAlexW2056110308WikidataQ127433682 ScholiaQ127433682MaRDI QIDQ5956353

Tetsuya Morishita, Junichi Tashiro, Shuichi Nosé

Publication date: 24 July 2002

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

Full work available at URL: https://doi.org/10.1016/s0010-4655(01)00346-0

zbMATH Keywords

molecular dynamics simulationsstructural phase transition

Mathematics Subject Classification ID

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