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
NUPDOWN constraint not holding...
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pdalach
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NUPDOWN constraint not holding...
Last edited by pdalach on Tue Apr 05, 2011 12:02 am, edited 1 time in total.
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support_vasp
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Re: NUPDOWN constraint not holding...
Hi,
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VASP