Top Page > Browsing
Spin splitting with DFT+U method
Date: 2023/03/05 10:18
Name: Vipin Kumar

Dear Prof. Ozaki,
I have a basic question related to the DFT+U band structure. I calculated the band structure of 2D VCl2 with DFT+U. I took the .dat file from the openmx viewer. The bandstructure is a spin splitter means the spin non-degenerate system. In some cases, both spin overlaps mean spin degenerate system.

Is it possible to calculate the spin unpolarized band structure with DFT+U.

Page: [1]

Thread Title (must) Move the thread to the top
Your Name (must)
E-Mail (must)
Password (used in modification of the submitted text)
Comment (must)

   Save Cookie