what does a negative magnetic moment mean in vasp?

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yllovelife

what does a negative magnetic moment mean in vasp?

#1 Post by yllovelife » Tue Oct 21, 2008 2:45 pm

In a carbon iron system, the initial MAGMOM of iron is set as 3 in INCAR file. After relaxation I found that the mag is -2.000 in OSZICAR file.
I am puzzled why the mag is a negative number here. What does negative mean?

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Last edited by yllovelife on Tue Oct 21, 2008 2:45 pm, edited 1 time in total.

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what does a negative magnetic moment mean in vasp?

#2 Post by admin » Thu Oct 23, 2008 9:29 am

this means that the overall magnetic moment of the cell is dominated by 2 spin down electrons.
Last edited by admin on Thu Oct 23, 2008 9:29 am, edited 1 time in total.

yllovelife

what does a negative magnetic moment mean in vasp?

#3 Post by yllovelife » Thu Oct 23, 2008 1:44 pm

thank you very much!
Last edited by yllovelife on Thu Oct 23, 2008 1:44 pm, edited 1 time in total.

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