Data, Python Script and Results for Calculation of Dielectric Functions of Plasmonic Nanoparticles of Noble Metals, Magnesium and Their Alloys
收藏NIAID Data Ecosystem2026-03-11 收录
下载链接：
https://data.mendeley.com/datasets/5cw4fcc296
下载链接
链接失效反馈官方服务：
资源简介：
- *.cif -- files describing crystal structure of compounds. Originally downloaded from [Crystallography Open Database](http://www.crystallography.net/cod/);
- *.xyz -- sample atomic structures of random AuxAg1-x alloy;
- *.py -- python script for calculation of dielectric function. Requires ASE and GPAW libraries;
- df_*.dat -- resulted dielectric functions calculated using LDA+U approach.
- other *.dat -- reference dielectric functions data. Originally downloaded from [Refractive Index Database](https://refractiveindex.info)
- *.cif -- 用于描述化合物晶体结构的文件，原始数据集下载自[晶体学开放数据库（Crystallography Open Database）](http://www.crystallography.net/cod/);
- *.xyz -- 随机AuₓAg₁₋ₓ合金的原子结构样本;
- *.py -- 用于计算介电函数的Python脚本，运行需依赖ASE与GPAW库;
- df_*.dat -- 采用局域密度近似+U修正（LDA+U）方法计算得到的介电函数结果文件。
- other *.dat -- 参考介电函数数据集，原始数据下载自[折射率数据库（Refractive Index Database）](https://refractiveindex.info)
创建时间：
2020-07-19
