Supporting Information for Version 2.0.0 - SPARC: Simulation Package for Ab-initio Real-space Calculations

SPARC is an accurate, efficient, and scalable real-space electronic structure code for performing ab initio Kohn-Sham density functional theory calculations. The dataset here corresponds to the examples and tests studied in the paper titled "Version 2.0.0 - SPARC: Simulation Package for Ab-initio Real-space Calculations"

SPARC是一款精准、高效且可扩展的实空间电子结构计算程序，可用于开展从头算科恩-沈（Kohn-Sham）密度泛函理论计算。本数据集对应于题为《版本2.0.0 - SPARC：从头算实空间计算模拟包》的论文中所研究的算例与测试用例。