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

Posted: Thu Aug 21, 2014 6:55 pm
by hatdau
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.

Image
<span class='smallblacktext'>[ Edited ]</span>

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

Posted: Tue Sep 10, 2024 2:39 pm
by support_vasp

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.

Best wishes,

VASP