Example input and output files for DFT+U calculations on a set of iron-based spin crossover materials done in VASP
收藏Research Data Australia2024-12-14 收录
下载链接：
https://researchdata.edu.au/example-input-output-materials-vasp/3369414
下载链接
链接失效反馈官方服务：
资源简介：
This dataset includes the CIF files for the seven materials studied, along with example input and output files for the relaxations of these structures into the high-spin and low-spin states, and DFT+U calculations using both the Liechtenstein and Dudarev approaches
提供机构：
The University of Queensland
