Band structure for a non relaxed cell
Posted: Wed Nov 27, 2013 1:50 pm
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
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