LDA+U calculation
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Giorgia
- Newbie
- Posts: 2
- Joined: Mon Jul 15, 2013 3:57 am
LDA+U calculation
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.
Last edited by Giorgia on Mon Jul 15, 2013 4:25 am, edited 1 time in total.
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Giorgia
- Newbie
- Posts: 2
- Joined: Mon Jul 15, 2013 3:57 am
LDA+U calculation
Problem solved. Thank you.
Last edited by Giorgia on Mon Jul 15, 2013 7:05 pm, edited 1 time in total.