Page 1 of 1

Which pseudopotential/functional for elastic constants?

Posted: Tue Aug 07, 2012 5:36 pm
by Holotype
Since different functionals give different bond lengths, which functional would give the best results for calculating elastic constants? Or, can I use PBE and specify RWIGS in the INCAR file? I'm not sure how to determine an optimal RWIGS. Any help would be appreciated. Also, I'm wondering where I can obtain HSE06 POTCARs. It doesn't seem to be something I can download (I haven't been able to find the files anyways).

Re: Which pseudopotential/functional for elastic constants?

Posted: Thu Sep 12, 2024 7:43 am
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