Chalmers University of Technology, Department of Physics
Published June 26, 2021 | Version v2
Dataset Open

Data and code for "Efficient calculation of the lattice thermal conductivity by atomistic simulations with ab-initio accuracy"

Creators

  • 1. Chalmers University of Technology, Gothenburg, Sweden
  • 2. Aalto University, Espoo, Finland

Description

This data set contains data and code related to the publication "Efficient calculation of the lattice thermal conductivity by atomistic simulations with ab-initio accuracy".

Notes

The updated record contains force constant potential (FCP) files that are readable by hiphive 1.X The old versions require a version <1.0.

Files

dataset.zip

Files (14.7 MB)

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md5:a3dc2785b16f1209740e9daf6315772e
1.9 MB Preview Download
md5:4afe12851443a240ff18c68702e19196
6.7 MB Download
md5:bf30afb3628d3b90dd895eeadbf3ac9e
1.2 MB Download
md5:2e5ac1147ea04683adcdf344eb9f9985
5.0 MB Download

Additional details

Related works

Is cited by
Journal article: 10.1002/adts.202100217 (DOI)