[Ifeffit] Re: Generating single scattering paths in Artemis

[Webb, Samuel M.]

Hi all...

I know that this isn't necessarily an Artemis solution, but there is an option/module in SIXPACK (that other IFEFFIT interface) to do just what you've been asking about -- create simple single scattering paths between two atoms in a variety of coordination environments (tetrahedral, octahedral, etc).  It has a nice periodic table interface to boot.  I use it occasionally to do some quick and dirty fitting -- I do agree with Scott that its not always the most accurate way to go about things.  The resulting FEFF file is placed  in a FEFF folder in the sixpack root directory.

Hope that helps some.

Sam
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