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ALADYN-THERMACOD

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DataCite Commons2025-03-26 更新2025-04-16 收录
下载链接:
https://dataverse.lib.virginia.edu/citation?persistentId=doi:10.18130/V3/XAYUKS
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资源简介:
This dataset includes THERMACOD, a part of the Anharmonic Lattice Dynamics (ALADYN) suite of codes. THERMACOD is an open-source software tool for ab initio calculations of phonon thermal transport in crystalline bulk materials. It solves the phonon Boltzmann transport equation either approximately, using the relaxation time approximation (RTA), or exactly, via iterative or direct methods. Additionally, this dataset contains results for phonon linewidths and thermal transport properties of Ge and GeSe.
提供机构:
University of Virginia Dataverse
创建时间:
2024-10-11
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