SIGMA value for metals in ACFDT-RPA calculations

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huangj3
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SIGMA value for metals in ACFDT-RPA calculations

#1 Post by huangj3 » Thu Feb 05, 2015 12:14 am

Dear All,

On the vasp webpage about ACFDT-RPA calculations at http://cms.mpi.univie.ac.at/vasp/vasp/g ... rgies.html:

1) The first and the second steps use SIGMA=0.05.
2) The third step does not specify SIGMA so it could be the default of 0.2.
3) At the fourth step SIGMA = about 1/4 of the KS band gap. My question is for this step: What SIGMA value should be used for metals with zero gap?

Thanks,

huangj3

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Re: SIGMA value for metals in ACFDT-RPA calculations

#2 Post by support_vasp » Thu Sep 12, 2024 7:45 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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VASP


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