Re: [Ifeffit] can't see error message(s) Artemis after *.inp import from TkAtoms At 11:30 PM 5/23/2005, you wrote:
Hi Charles,
Sorry for the delay. There won't be anything to plot after importing the feff.inp file. First, you'll have to run feff, then import some of the feff paths into Artemis. At that point you can either simply add the paths together or do a fit to actual data.
For the "Artemis trapped one of more errors! Error message dumped to screen" message, these actually go to the Windows command session window (aka the DOS shell).
Hope that helps!
--Matt
Thanks Matt! I wouldn't have guessed that was where the message went. It immediately popped up before I could try plotting so I thought I had to do something before running feff. In any case, I found that the error had to do with multiple ways TkAtoms can save the *.inp file. In the program [ver 3.0beta9], the *.inp is generated in the "TkAtoms display Frame 1", displaying the xyz coordinates. In this "Frame 1" window, there is a button that gives you the option of saving the *.inp file. When I use it to do so, Artemis doesn't seem to recognize the file when I try to import it (hence the error message). I found that I had to ignore this window and use the "File" submenu (at the top in blue in TkAtoms) to save the *.inp file. I could then import with no error message & finally do the Artemis plot. -Charles