[Ifeffit] Incorporating FEFF8 into IFEFFIT

Richard Mayes mayes at ion.chem.utk.edu
Thu Sep 28 07:57:52 CDT 2006


I have just recieved a copy of FEFF8.  Is there a way to incorporate it 
into Artemis on the windows version of IFEFFIT?  In theory, we should be 
able to play a "shell game" with the names of the executable files and 
get FEFF8 to work while IFEFFIT thinks it's running FEFF6l (by changing 
the FEFF6l.exe file to something else, and rename the FEFF8 file to 
FEFF6l.exe) and then replace the DAT files to those for FEFF8.

Is this possible or is it just better to run FEFF8 independently and 
import the .inp files into Artemis?

Rich Mayes

Barnes Group
Dept. of Chemistry
Univ. of Tennessee
Knoxville, TN 37996

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