Hi Vasp experts,
I am trying to calculate the frequency dependent dielectric response with VASP 5.4.4 including local fields. I basically did what is explained here, but I'm running into the issue that the response is calculated over and over again. The OUTCAR simply grows, while the results of the response don't seem to change.
I found, that the response is calculated NELM times, and NELM is by default 60. Is there any reason to recalculate the response several times, when the calculations was previously converged with algo=exact and loptics=True?
Is the workaround of setting NELM=1 reasonable?
Thank you,
Jan
NELM and algo=chi
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Re: NELM and algo=chi
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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