Vibrational calculations on Sulfur clusters
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下载链接：
https://figshare.com/articles/dataset/Vibrational_calculations_on_Sulfur_clusters/1513736
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资源简介：
Input and output files for study of vibrational frequencies of sulfur allotropes. All-electron open-shell calculations with FHI-aims within density-functional theory (DFT) with a range of DFT exchange-correlation functionals.
创建时间：
2015-10-23
