Dataset for "Highly Anisotropic Thermal Transport in LiCoO2"
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下载链接：
https://zenodo.org/record/3385123
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资源简介：
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.
创建时间：
2020-01-24
