[Pw_forum] ELF

[Axel Kohlmeyer]

On Wed, 23 Apr 2008, ali kazempoor wrote:

AK> Dear all
AK> We are working on MnAs(Mn is a transition metal)
AK> nanowire and plot the electron localization function
AK> in pp part. But for larger value we have not isovalue
AK> around Mn.why?
AK> second question is what is the meaning of ELF? is its
AK> concept close to the wannier function?

no.

http://www.cpfs.mpg.de/ELF/

axel.

AK> thanks
AK> 
AK> 
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-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
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