On Mon, Aug 18, 2014 at 3:01 AM, 이국승 <lks3006@postech.ac.kr> wrote:

Dear,

I am a biginer in this area and I have two stupid questions.

I met a problem while I was trying to fit a Au foil data using Artemis following the process of 'Artemis instruction videos' which (I guess) was made by Bruce.

I followed exactly the same procedure as the 'Artemis instruction video'. But, when I click the Fit button, a popup window appeared with some error messages. The image of the popup window is attached.

Before I met this problem, I could not load the 'atoms.inp' when I clicked the 'Import crystal data or a Feff calculation' button. The atoms.inp file does not exist in any place of my PC. I installed demeter again, and nothing different. So, I did copy and paste the atoms.inp file from one of the old version Artemis installed my colleague's PC. Does demeter installer file not contain atoms.inp file?

It does not. Was there a second question?

You definitely need to have a Feff calculation to do the fit, and an atoms.inp file is a reasonable way to start that. You need to run the Feff calculation and select some paths from that calculation.

Of course, it's hard for us to tell which steps in the video you did or did not "follow exactly". You need to run Feff, have a Path defined and selected as "use for this fit', and the parameters used for this Path need to all be defined.

--Matt