[Ifeffit] Artemis

Alain Manceau Alain.Manceau at ujf-grenoble.fr
Tue Jan 8 11:34:00 CST 2008


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.



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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