Hello guys,
I'm curious to know if the DMol3 module has any capabilities to include DFT+U in the calculations (for the elements with d orbital occupied). VASP and CASTEP have some settings for that; however, I couldn't find anything about DFT+U in DMol3's manual.
If there is not included, then are the results obtained by DMol3 for such systems correct and trustable?
I appreciate any comments.
A