Dielectric constant is unreasonably different w/ and w/o spin-orbit

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hatdau
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Dielectric constant is unreasonably different w/ and w/o spin-orbit

#1 Post by hatdau » Thu Aug 21, 2014 6:55 pm

Hi,
I'm using vasp.5.3.5 and having problem when calculating dielectric constant with spin-orbit coupling. While the band structure w/ spin-orbit is almost identical to that w/o spin-orbit. The dielectrics are completely different.

Any explanation for the difference?

Thanks

To calculate epsilon I use:
LOPTICS = T
LRPA = T

for spin-orbit calculation I add:
LSORBIT = T

The link below is the imaginary part of epsilon.

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<span class='smallblacktext'>[ Edited ]</span>
Last edited by hatdau on Thu Aug 21, 2014 6:55 pm, edited 1 time in total.
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Re: Dielectric constant is unreasonably different w/ and w/o spin-orbit

#2 Post by support_vasp » Tue Sep 10, 2024 2:39 pm

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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