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Filtering by: Software spglib Keyword Phonon Keyword rocksalt-KF Collection Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method Publisher NIMS

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

Description/Abstract:

Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...

Keyword:

Phonon and rocksalt-KF

Resource Type:

Dataset

Data origin:

simulations

Author:

Atsushi Togo

Date Uploaded:

28/01/2024

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

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