Vibrational calculations on Sulfur clusters
收藏数据链接：
官方服务：
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
