Total energy, DFT+U, BigDFT,...
- Posts: 3
- Joined: Mon May 01, 2017 9:26 pm
Dear abinit users
I have a question about DFT + U, I read in the abinit tutorial just the example of LDA + U, my question is: can I use GGA + U or not?
Thanks to all
- Posts: 44
- Joined: Mon Aug 24, 2009 10:58 am
Yes, you can use whatever functional in combination with +U.
Indeed LDA+U should be replaced in general by DFT+U