How to calculate the dielectric function for metal using VAS
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How to calculate the dielectric function for metal using VAS
Dear VASP users,
I want to study the optical properties of metal using VASP. I have two questions,
1)Is it correct to calculate the dielectric function just setting LOPTICS=.TRUE., or it is necessary to combine it with LRPA=.TRUE., when the RPA is involved?
2)I find that the dielectric function by ISMEAR = 1 and -5 totally different from each other. The latter seemed to diverge at the low frequencies, while the former does not. It makes me confused about which one is correct.
Thanks for your answer.
I want to study the optical properties of metal using VASP. I have two questions,
1)Is it correct to calculate the dielectric function just setting LOPTICS=.TRUE., or it is necessary to combine it with LRPA=.TRUE., when the RPA is involved?
2)I find that the dielectric function by ISMEAR = 1 and -5 totally different from each other. The latter seemed to diverge at the low frequencies, while the former does not. It makes me confused about which one is correct.
Thanks for your answer.
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- Global Moderator
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Re: How to calculate the dielectric function for metal using VAS
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
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