Dataset for the manuscript "Temperature-Dependent Dynamic Disproportionation in LiNiO2"
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下载链接：
https://zenodo.org/record/14873079
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资源简介：
Data supporting the manuscript "Temperature-Dependent Dynamic Disproportionation in LiNiO2" (currently arXiv:2211.09047). Uploading in progress, currently (2025/02/14) up:
Ligand-field multiplet spectral shapes, under ligand_field_multiplets
VASP calculation results for the density of states, under comp_data_pub (Extended Data Figure 2b)
To be uploaded:
AIMD trajectories
raw XAS and RIXS spectra
python code for making all figures
创建时间：
2025-02-14
