[Ifeffit] Incorporating FEFF8 into IFEFFIT
Richard Mayes
mayes at ion.chem.utk.edu
Thu Sep 28 07:57:52 CDT 2006
Bruce,
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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