Input datas for the energetics and electronic structure of perylene-CNT

All input files for the calculations on the Energetics and Electronic Structures of Perylene Confined in Carbon Nanotubes. The input files are in the format which is suitable for the STATE program package.本数据集收录了用于计算限域于碳纳米管(Carbon Nanotubes)中的苝(Perylene)的能量学与电子结构的全部输入文件。所有输入文件均采用适配于STATE程序包的格式。