ISMEAR parameter
Posted: Fri Apr 05, 2013 10:00 am
When we calculated the frequency dependent dielectric function of graphene, we found that if we chose ISMEAR=-5, the YY component of elision is very large around E=0, about more than 100000. Obviously, I think it is wrong,However, if we chose ISMEAR=0, the YY component of epsilon is almost equal to XX component, but the data are not correct. I do not know why? Anybody meets such problem?