[Ifeffit] Generating single scattering paths in Artemis

Carlo U. Segre segre at iit.edu
Wed Jan 5 13:23:58 CST 2005


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 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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