Data for: Bethe-Salpeter Equation Calculations of Nitrogen-Vacancy Defects in Diamond

This zip file contains the input and output files for the optimization of the structures used in this study, and the input and output files for the subsequent spectral calculations.该压缩包内含本研究所用结构的优化工作所需的输入、输出文件，以及后续光谱计算所需的输入、输出文件。