Dataset for the manuscript "Temperature-Dependent Dynamic Disproportionation in LiNiO2"
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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
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Zenodo创建时间：
2025-02-14
