Supplementary material for "Phonons in Magnetic Systems by means of Density-Functional Perturbation Theory"
收藏资源简介:
The archive file stores all relevant data used in the creation of my PhD thesis "Phonons in Magnetic Systems by means of Density-Functional Perturbation Theory". It contains input files, a Python script for plotting, as well as the corresponding output plots. All calculations were done using the MaX-R7.1 version of the all-electron full potential linearized augmented plane-wave code FLEUR (https://iffgit.fz-juelich.de/fleur/fleur).
本归档文件存储了本人博士学位论文《基于密度泛函微扰理论的磁性体系声子》(Phonons in Magnetic Systems by means of Density-Functional Perturbation Theory)创作过程中使用的全部相关数据。其包含计算输入文件、用于绘图的Python脚本,以及对应的输出绘图结果。所有计算均通过全电子全势线性缀加平面波(all-electron full potential linearized augmented plane-wave)程序FLEUR的MaX-R7.1版本完成,该程序的仓库地址为https://iffgit.fz-juelich.de/fleur/fleur。



