JARVIS_QE_TB

The QE-TB dataset is part of the joint automated repository for various integrated simulations (JARVIS) DFT database. This subset contains configurations generated in Quantum ESPRESSO. JARVIS is a set of tools and datasets built to meet current materials design challenges.QE-TB数据集是各类集成模拟联合自动化存储库（Joint Automated Repository for Various Integrated Simulations，缩写JARVIS）的密度泛函理论（Density Functional Theory）数据库的组成部分。该子集包含通过量子ESPRESSO (Quantum ESPRESSO)生成的原子构型。JARVIS是为应对当前材料设计领域的各类挑战而开发的一套工具与数据集集合。