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

1. Phono3py input data to calculate lattice thermal conductvities for rocksalt-KCl

Description/Abstract:: Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-KCl in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:: Phonon and rocksalt-KCl
Resource Type:: Dataset
Data origin:: simulations
Author:: Atsushi Togo
Date Uploaded:: 28/01/2024

1. Phono3py input data to calculate lattice thermal conductvities for rocksalt-KCl

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1. Phono3py input data to calculate lattice thermal conductvities for rocksalt-KCl

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