[DFTB-Plus-User] how to deduce magnetic moments

[Bálint Aradi]

On 07/02/2012 01:08 PM, malahmer at umbb.dz wrote:
> Dear all DFTB user's
> i have running spin polarisation calculations for C doped ZnO and i would to see where i can find informations on total magnetic moment and magnetic moment on each spiece.
> best regads

 you can extract the charges on each atom/orbital for every spin channel
separately from detailed.out.

  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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