Publisher: National Institute for Materials Science

Rights:

• Creative Commons BY Attribution 4.0 International
  

Keyword: Lattice thermal conductivity calculation, first-principles calculation, phonon calculation, polynomial machine learning potential

This is a lattice thermal conductivity (LTC) calculation database. Input files for the phono3py code are available for calculating LTC values.

MDR DOI: https://doi.org/10.48505/nims.6163

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Updated at: 2026-01-24T09:41:03Z