Dataset for 10.1021/acs.nanolett.4c00669
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下载链接：
https://zenodo.org/record/13932157
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资源简介：
The dataset contains the input files and scripts for the theoretical calculations in 10.1021/acs.nanolett.4c00669, for what pertains the part performed via quantum espresso.
The dataset includes input files and matrix elements.
创建时间：
2024-10-14
