- #1
PascalM
- 2
- 0
Hi there,
I'm not sure if someone here can help me because the topic is quite specific.
In LDA+U Calculation one have to substract the Double Counting from the DFT functional. There are two main possibilities to do this:
1.) Around Mean Field (AMF)
2.) Fully Localized Limit (FLL)
I found out, that there's a correction term to FLL due to non-collinearity and I ask myself if there's a correction term to AMF aswell. I searched in books, papers and the internet but didn't find anything about this topic.
Maybe someone can help me.
Thanks for your help!
I'm not sure if someone here can help me because the topic is quite specific.
In LDA+U Calculation one have to substract the Double Counting from the DFT functional. There are two main possibilities to do this:
1.) Around Mean Field (AMF)
2.) Fully Localized Limit (FLL)
I found out, that there's a correction term to FLL due to non-collinearity and I ask myself if there's a correction term to AMF aswell. I searched in books, papers and the internet but didn't find anything about this topic.
Maybe someone can help me.
Thanks for your help!