Index Catalog // MDR

Start Over

Filtering by: Author Atsushi Togo Software phonopy Keyword Phonon Keyword rocksalt-KF Collection Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method

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

Limit your search

Type of work

Collection

Keyword

Publisher

Resource type

Visibility

Rights Statement Sim

Data origin

Author

Software

Search Constraints

Search Results

Limit your search