optical calculation in VASP 5

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


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tofu
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optical calculation in VASP 5

#1 Post by tofu » Tue Jan 11, 2011 5:49 am

Dear VASP users:

I'm using LOPTICS=.TURE. in VASP 5 to calculate the frequency dependent dielectric function and concequently obtain a table of dielectric function in OUTCAR.

Here is the problem. The number of output rows seem to be fixed. As I increase the number of empty bansd by increase NBANDS, the energy interval of output data increases as well. The energy interval is too large to reach the accuracy requirement in my analysis.

I wonder if there is any keyword which can increase the number of rows of the output table.

Thanks!

Hsin
<span class='smallblacktext'>[ Edited ]</span>
Last edited by tofu on Tue Jan 11, 2011 5:49 am, edited 1 time in total.

support_vasp
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Re: optical calculation in VASP 5

#2 Post by support_vasp » Wed Sep 11, 2024 2:33 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.

Best wishes,

VASP


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