Published July 20, 2021 | Version v1

DFT-based Phonon-computations for "Considering the Role of Ion Transport in Diffuson-Dominated Thermal Conductivity"

Authors/Creators

  • 1. Bundesanstalt für Materialforschung und -prüfung

Description

These are the harmonic phonon and Grüneisen parameter computations for the publication "Considering the Role of Ion Transport in DiffusonDominated Thermal Conductivity". VASP and Phonopy outputs are included in this data set.

Files

Gruneisen.zip

Files (78.2 MB)

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