28 Sep
2006
28 Sep
'06
12:57 p.m.
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