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NUPDOWN constraint not holding...

Posted: Tue Apr 05, 2011 12:02 am
by pdalach
Hello,
I am trying to constrain the total magnetic moment of a magnetic perovskite system using NUPDOWN.

I have had some success using it, but often the final magnetic moment strongly deviates from the assigned NUPDOWN. In these case, I remove any CHG, CHGCAR, and WAVECAR files and restart, but with no effect.

Are there scenarios where the NUPDOWN constraint isn't enforced?

Thank you,
Paul

Re: NUPDOWN constraint not holding...

Posted: Wed Sep 11, 2024 2:38 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