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First principles phonon calculations using phonopy and its automation by AiiDA infrastructure

第39回コンピュテーショナル・マテリアズ・デザインワークショップ 先端事例講義. 2021. Invited

NIMS author(s)


Fulltext and dataset(s) on Materials Data Repository (MDR)


    Created at: 2022-02-17 03:10:15 +0900Updated at: 2024-03-05 12:21:53 +0900

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