Dataset for "Highly Anisotropic Thermal Transport in LiCoO2"
Author(s)
Hui, Yang
Walsh, Aron
Type
Dataset
Abstract
Associated crystal structure files and input/output of the phonon calculations from the manuscript "Highly Anisotropic Thermal Transport in LiCoO2".
The crystal structure file "LiCoO2_optimised.vasp" is in the format of VASP, while "LiCoO2_optimised.cif" can be read by standard crystallographic software.
The other files can be read by the Phonopy/Phono3py software, where the numbers "191919" and "272727" refer to the q-mesh used for Brillouin zone integration, i.e. 19x19x19 and 27x27x27.
The crystal structure file "LiCoO2_optimised.vasp" is in the format of VASP, while "LiCoO2_optimised.cif" can be read by standard crystallographic software.
The other files can be read by the Phonopy/Phono3py software, where the numbers "191919" and "272727" refer to the q-mesh used for Brillouin zone integration, i.e. 19x19x19 and 27x27x27.
Version
1.0
Date Issued
2019-09-03
Citation
2019
Copyright Statement
https://creativecommons.org/licenses/by/4.0/
Subjects
Phonopy
VASP
Metal Oxides