Dynamic Strain and Switchable Polarization: a Pathway to Enhance the Oxygen Evolution Reaction on InSnO2N

The data set contains all the relaxed structures in CONTCAR files and can be visualized with VESTA which is an open access program and can be downloaded online https://jp-minerals.org/vesta/en/. The related calculated total energy and input set parameters could be seen in the OUTCAR files.
And the band structure pdos can be obtained from vasprun by p4vasp

本数据集汇集了所有以CONTCAR文件格式存储的松弛结构，并支持使用开放获取的VESTA软件进行可视化，该软件可通过在线方式下载，访问链接为：https://jp-minerals.org/vesta/en/。相关计算得到的总能量及输入参数集可于OUTCAR文件中查阅。此外，通过p4vasp从vasprun中可获取能带结构及pdos信息。