Supporting Information for SPARC: Simulation Package for Ab-initio Real-space Calculations
收藏doi.org2025-03-25 收录
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http://doi.org/10.17632/mcgvnnmf78.1
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资源简介:
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 是一款高度精确且高效的代码,用于执行实空间 Kohn-Sham 密度泛函理论(DFT)模拟。本数据集对应于论文《SPARC:用于从头计算实空间计算的模拟包》中研究的相关示例和测试。
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doi.org



