Exploring the electronic structure properties and oxygen vacancies in SrTiO3 under strain
收藏NIAID Data Ecosystem2026-05-02 收录
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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
创建时间：
2024-07-12
