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

SPARC is a highly accurate and efficient code for performing real-space Kohn-Sham Density Functional Theory (DFT) simulations. The dataset here corresponds to the examples and tests studied in the paper titled "SPARC: Simulation Package for Ab-initio Real-space Calculations".SPARC是一款高精度且高效的计算程序，用于开展实空间科恩-沈（Kohn-Sham）密度泛函理论（DFT）模拟。本数据集对应于题为《SPARC：从头算实空间计算模拟软件包》的论文中所研究的示例与测试案例。