| Re: About Onsite and Intersite interactions of DFT+U ( No.1 )|
- Date: 2022/08/16 09:13
- Name: T. Ozaki
While OpenMX does not take account of the itersite interaction V explicitly, a kind of itersite interaction
may be included through the overlap between PAOs due to the properties of projection operators such as dual
and full projection operators. Since in each code, the treatment of the projection operators is different from the
others, I wonder that the quantitative comparison between the codes seems to be difficult.
| Re: About Onsite and Intersite interactions of DFT+U ( No.2 )|
- Date: 2022/08/16 10:52
- Name: Yosua
- Dear Mr. Ozaki
Thank you very much for your explanation.
I will check it.