Dataset for "Chirality-Driven Magnetization Emerges from Relativistic Four-Current Dynamics"

Input and output files to reproduce the data for the associated publication.The files are organized into two main folders:`scf/` containing a folder for each system with the scf with (`plus` and `minus` directories) and without fields (`nofield`). Additionally the ECD spectra are computed in `ecd`. The `-R` is used to indicate the right handed structure, and when it is absent that refers to the left handed structure.`rt/` contains a similar directory structure and include the input and output files for real time dynamics.本数据集包含用于复现关联发表论文中数据的输入与输出文件。文件分为两个核心主目录：`scf/` 目录下为每个研究体系设立独立子文件夹，每个子文件夹内包含对应体系在施加外场（分为`plus`与`minus`子目录）以及未施加外场（`nofield`目录）下的自洽场（Self-Consistent Field, SCF）计算文件；此外该目录下还设有`ecd`子目录，用于计算电子圆二色谱（Electronic Circular Dichroism, ECD）谱图。命名中带有`-R`的文件或目录代表右手手性结构，未标注该后缀则对应左手手性结构。`rt/` 目录拥有与`scf/` 一致的目录结构，包含实时动力学（Real-Time Dynamics）模拟所需的输入与输出文件。