Hi every one,
I would like to calculate the band structure for an non relaxed cell, just as it's given by the experimental results. I have a question:
1- How accurate can be my results working this way and what is the best way to set my INCAR file in this case? :?
Regards
N
Band structure for a non relaxed cell
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Nice
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Band structure for a non relaxed cell
Last edited by Nice on Wed Nov 27, 2013 1:50 pm, edited 1 time in total.
-
Nice
- Newbie
- Posts: 3
- Joined: Wed Nov 27, 2013 1:39 pm
Band structure for a non relaxed cell
why no Answer (hmm)
Last edited by Nice on Thu Nov 28, 2013 3:14 pm, edited 1 time in total.