Sample simulation files for "Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide"

Sample simulation inputs of VASP (5.3.5) for simulating hydrogen storage on 2D borophene oxide. The two directories contain README.txt files that briefly describe the system. <br><br>

本数据集包含用于模拟二维氧化硼烯储氢过程的维也纳从头算模拟软件包（VASP，5.3.5版本）示例模拟输入文件。

两个目录中均附有README.txt文件，可简要说明对应体系的相关信息。