[Ifeffit] Generating single scattering paths in Artemis
Carlo U. Segre
segre at iit.edu
Wed Jan 5 13:23:58 CST 2005
Bruce:
Occasionally, I don't know or don't care what the extended
crystallographic environment of the absorber. All I want to do is apply
single scattering analysis and I need some simple paths from FEFF. At
this time, I can't see how to do this within Artemis since the Atoms page
requires a space group and more information than I have available.
Would it be possible to have the option for a simpler interface which just
allows me to generate single scattering paths between two atoms at a
specific distance from each other? Perhaps, I could even specify a
coordination geometry (tetrahedral, octahedral, etc.)?
Carlo
--
Carlo U. Segre -- Professor of Physics
Associate Dean for Special Projects, Graduate College
Illinois Institute of Technology
Voice: 312.567.3498 Fax: 312.567.3494
Carlo.Segre at iit.edu http://www.iit.edu/~segre
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