[DFTB-Plus-User] Spin distribution

[Bálint Aradi]

Dear Aulia,

>
> I ran a spin polarized calculation. Is there any way to find the spin
> distribution in each atom? I can't find in the detailed.out file. Here is

Of course. In detailed.out you have a Mulliken population analysis for
both spin channels (SPIN=1 and SPIN=2). Alternatively, you could use
waveplot to plot the spin density on a grid.

  Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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