[Pw_forum] calculation of magnetization at each atom site of a super cell

[Axel Kohlmeyer]

On Fri, 16 Mar 2007, Prithwish Nandi wrote:

PN> 
PN>  Hi,
PN> 

PN>    In PWSCF,is it possible to calculate the contribution by each
PN> atom to the total magnetization of a super cell? If it possible, how
PN> it can be done???

please always search the mailing list for whether the topic you
are interested in has already been discussed (and concluded).
in your case, e.g., 

http://www.democritos.it/pipermail/pw_forum/2006-December/005467.html

and the related thread would be appropriate.

cheers,
   axel.
PN> 
PN>   Prithwish Nandi

-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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