Query Regarding Local Spin Density and Magnetic Moment

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alok_shukla1
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Query Regarding Local Spin Density and Magnetic Moment

#1 Post by alok_shukla1 » Mon Jun 01, 2026 5:39 pm

Dear Experts,

I have a question regarding the relationship between the local spin density and the magnetic moment obtained from VASP calculations.
Suppose an atom has a very small local magnetic moment, for example, on the order of 0.001 μB. In such a case, is it still possible to observe a finite spin density around that atom in the spin-density distribution?

More specifically, can a non-zero local spin polarization exist in the spatial spin-density distribution even when the integrated magnetic moment associated with the atom is essentially negligible? How should one interpret such a situation physically?

I would appreciate any clarification on this point. Thank you very much for your time and help.


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