Theoretical calculations for 10.1126/sciadv.adl4481
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下载链接：
https://zenodo.org/record/13932136
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资源简介：
This dataset contains the data for the density fuctional theory calculations in the paper 10.1126/sciadv.adl4481
This includes: input files for quantum espresso, input files for bands up, plot scripts. All details required to reproduce the calculations are also detailed in the paper.
创建时间：
2024-10-14
