Try PRINT 5 2 0 3 0 3. That may not help understand the problem, but feff8.28 interfaces to Artemis just fine for me using those settings. Jeremy Chemical Engineering Division Argonne National Laboratory Argonne, IL 60439 Ph: 630.252.9398 Fx: 630.252.9917 kropf@cmt.anl.gov
-----Original Message----- From: ifeffit-bounces@millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of Ravel, Bruce D. Sent: Thursday, May 24, 2007 1:12 PM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Using FEFF8 with Artemis
On Thursday 24 May 2007, Scott Calvin wrote:
After opening Artemis, I choose "New Feff input template," and then "Import feff.inp." I choose the feff.inp file from the folder where I ran Feff. I ask for just the first path, and I get an error (this one's taken from the pc):
Hey Scott,
I see the same problem using the two files you sent. My best guess for the source of the problem is that Artemis is not finding the "files.dat" and "paths.data" (or possibly "path00.dat") files in the same place as the "feff.inp" and "feffNNNN.dat" files. Artemis needs those files to build the interpretation page and does not handle their absence gracefully.
It is my intention that Artemis work with a Feff8 calculation and I believe that people do so. I am suspicious that this is as much a documentation bug as a programming bug.
If you think this is not the problem, then I'll need you to zip up the entire directory containing the feff calculation and send the zip file to me.
B
-- 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/
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