LDA+U calculation
Posted: Mon Jul 15, 2013 4:25 am
Hi all. I am new user, and I am trying to do some bulk calculations as academic exercise. Now I arrived at LDA+U use. Could someone provide me please an explanation about how to write in INCAR file in LDA+U section, the LDAUL in case that I have more atoms, 5 for example, no on-site interaction?Many thanks. Giorgia.