ISMEAR parameter
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nimy
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ISMEAR parameter
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?
Last edited by nimy on Fri Apr 05, 2013 10:00 am, edited 1 time in total.
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support_vasp
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Re: ISMEAR parameter
Hi,
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