[Ifeffit] Artemis

Richard Mayes mayes at ion.chem.utk.edu
Tue Jan 8 13:03:44 CST 2008


I had a similar problem trying to run FEFF8.2 in Artemis on my WinXP
machine.  The simple fix is to have a folder outside Artemis where you
"store" the FEFF executable and an input file.  FEFF will write the
feffnnnn.dat files to that folder.  Then, import the input file into
Artemis, as long as the feffnnnn.dat files are in the same folder as the
input file, it will work.

I can't help you with your other question regarding why the plots don't
reflect your fit parameters.  It might help others though if you send the
project file to look at.

For those who don't have access to PowerPoint, a pdf of Alain's ppt is


> Bruce,
> Thank you for the clarification. I progressed, but still encounter a
> problem running FEFF7. The error message and the input parameters and
> configuration are shown in the ppt in attachment.
> Thanks
> Alain
> At 14:58 07/01/2008, you wrote:
>>On Sunday 06 January 2008 11:26:53 you wrote:
>> > Is there a way to calculate or read feff7 or FEFF8 paths with the
>> > last version of Artemis? I could not find this information on this
>> page:
>> >
>> > http://cars9.uchicago.edu/~ravel/software/aboutartemis.html
>> >
>> > and this option is not listed in your to-do list. I suppose that
>> > there is a good reason for it!
>> >
>> > Implementing the possibility to read at once several FEFF paths (for
>> > example from the list.dat file) could be useful, I think.
>>I am CCing this general interest question to the mailing list.
>>Artemis does not actually have a preference for the version of feff
>>that you use.  Since Feff is run as an external process, all you need
>>to do is configure Artemis to use your prefered version.
>>  * In the Edit menu, select "Edit preferences".
>>  * In the Atoms groups, change `template' to "feff7" or "feff8", as
>>    you wish.  That will have the effect of changing what kind of
>>    feff.inp file atoms makes.
>>  * In the Feff group, change `feff_executable' to the version of feff
>>    you are using. If the executable is not in the execution path, you
>>    will need to enter the fully resolved path as the value for that
>>    configuration parameter.
>>If you have run feff independently of Artemis and simply wish to
>>import the feffNNNN.dat files, that should work with no regard to the
>>version of Feff that you used.  The format of the feffNNNN.dat file
>>did not change between feff6 and feff8.
>>If you are seeing some particular failure of Artemis, then you will
>>need to show me what happens.  Without providing enough information
>>for me to reproduce the problem on my own computer, it is not
>>reasonable to expect that I can solve a problem.
>>  Bruce Ravel  ------------------------------------ bravel at bnl.gov
>>  National Institute of Standards and Technology
>>  Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
>>  Building 535A
>>  Upton NY, 11973
>>  My homepage:    http://xafs.org/BruceRavel
>>  EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
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Richard Mayes

Barnes Group
450/452 Buehler Hall
Department of Chemistry
University of Tennessee
Knoxville, TN 37996
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