On Monday 19 June 2006 11:55, tony vitova wrote:

  I will be very thankful, if you tell me how to create a chi.dat file with Artemis.       My PRINT and CONTROL cards in feff.inp are:       CONTROL  1 1 1 1   PRINT        5 1 1 1       I am expecting it to be   in   D:\Program Files\Ifeffit\horae\stash\artemis.project.3\data0.feff1       but it is not there?   Is there another way ...?       Thank you very much for the help!

Hi Tonya, This doesn't seem like enough information for me to fully understand the problem you are having, but I'll try to make a few suggestions. 1. In the Theory menu there is an item "Identify this FEFF calculation." That will write enough information in the echo line at the bottom of the artemis screen to allow you to find your feff calculation. 2. You will only find your feff calculation there as long as Artemis is open. Once you quit Artemis normally, it cleans up its workspace. 3. In no case will you find a file that contains chi(k) for any path. To get chi(k) you need to use "Save this path as..." in the Paths menu. Hope that helps. N -- Bruce Ravel ---------------------------------------------- bravel@anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/