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Filtering by: Software phono3py Keyword rocksalt-KI 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-KI

Description/Abstract:: Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:: Phonon and rocksalt-KI
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-KI

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

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