コレクション Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)

Atsushi Togo SAMURAI ORCID (National Institute for Materials Science)

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(103 items)

出版者: National Institute for Materials Science

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Phono3py input data used to calculate the lattice thermal conductivities in the papers https://doi.org/10.1103/PhysRevB.91.094306 and https://doi.org/10.1103/PhysRevLett.115.205901.

Visit phono3py web site to find how to use this data.

MDR DOI: https://doi.org/10.48505/nims.5823

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更新時刻: 2025-10-27T02:30:20Z