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Filtering by: Keyword rocksalt-LiF Collection Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method

Phono3py input data to calculate lattice thermal conductvities for rocksalt-LiF

Description/Abstract:

Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-LiF in Fig.17 of the paper https://doi.org/10.7566/J...

Keyword:

Phonon and rocksalt-LiF

Resource Type:

Dataset

Data origin:

simulations

Author:

Atsushi Togo

Date Uploaded:

28/01/2024

Phono3py input data to calculate lattice thermal conductvities for rocksalt-LiF

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