Exploring the electronic structure properties and oxygen vacancies in SrTiO3 under strain

<p> <em>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</em> <a href="https://jp-minerals.org/vesta/en/" target="_blank"><em>https://jp-minerals.org/vesta/en/</em></a><em>. The related calculated total energy and input set parameters could be seen in the OUTCAR files.</em></p> <p><em>And the band structure pdos can be obtained from vasprun by p4vasp</em></p>