[Ifeffit] Artemis

Bruce Ravel bravel at bnl.gov
Mon Jan 7 07:58:27 CST 2008

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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