Hi Bipul. The details of the implementation of LDA+U in SIESTA can be found in the appendix of the following reference:
PRB 70, 235209 (2004). Hope this is useful for your purposes. Best, -Salvador. On Mon, 24 Sep 2007, bipul rakshit wrote:
hello siesta users, I am doing some calculation for Rare earth compounds which include f electrons..... For these type of compounds LDA+U method is successful. So can anybody using LDA+U or SIC+LSD method with siesta..... If so, then can you please interested to share this with me...... We can have nice collaboration --------------------------------- Chat on a cool, new interface. No download required. Click here.
