Point charge

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ajones

Point charge

#1 Post by ajones » Tue Jul 30, 2013 1:29 am

Hi,

I am wondering if anyone may know if it is possible to place a point charge in a periodic VASP calculation. I would like to replace a H-atom with a cationic point charge. I know this is possible in molecular codes but, of course, we cannot specify charge locality here. Maybe there is a way to create a POTCAR for a point charge...

Thanks a lot
Last edited by ajones on Tue Jul 30, 2013 1:29 am, edited 1 time in total.
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support_vasp
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Re: Point charge

#2 Post by support_vasp » Thu Sep 12, 2024 8:37 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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