Supporting data for "A first-principles study of the electronic structures and transport properties of IV-VI thermoelectric compounds"

This dataset includes input files for DFT calculations of electronic structure and electrical transport properties of IV-VI thermoelectric compounds, which includes SnS, GeSe and GeTe. The detail descriptions for the folders are included in the README.txt file.

本数据集包含用于计算IV-VI类热电化合物电子结构和电输运性质的DFT输入文件，涵盖SnS、GeSe及GeTe等化合物。各文件夹的详细描述已包含于README.txt文件中。