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Structural deformation under electric field

Posted: Tue Jun 04, 2019 10:21 pm
by ipark008
Hello,

I am simulating antiferromagnetic material under the external electric field. I set the MAGMOM as 6.0 or -6.0 depending on the spins. However, when I finished relaxation and do a SCF step, some of the MAGMOM were flipped. Do you have any idea on that?

Thank you,

Re: Structural deformation under electric field

Posted: Wed Sep 11, 2024 3:10 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.

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