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dipoles

Posted: Mon Nov 02, 2009 4:15 pm
by willow
I would like to calculate the individual dipole moments which are centred on the ions in my system. Originally I thought about using Wannier functions for this but I do not think this is possible in Vasp at the moment. So I have two questions:
1) Am I right? -I can't calculate wannier functions in vasp for this purpose.
2) Any other methods people can suggest for calculating dipole moments on the ions?

Thanks!

Re: dipoles

Posted: Wed Sep 11, 2024 2:10 pm
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