How to calculate the dielectric function for metal using VAS

Queries about input and output files, running specific calculations, etc.


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plasmon
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How to calculate the dielectric function for metal using VAS

#1 Post by plasmon » Fri Feb 26, 2016 10:25 am

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.

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Re: How to calculate the dielectric function for metal using VAS

#2 Post by support_vasp » Thu Sep 12, 2024 7:21 am

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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