[Ifeffit] Artemis

Wayne Lukens wwlukens at lbl.gov
Tue Jan 8 13:07:03 CST 2008

Dear Alain,

Although someone may have a better solution, you can run FEFF7
independently of Artemis then import the calculation results using
the theory menu. This is what I do when using FEFF7, and I have
never had a problem.


Wayne Lukens

Alain Manceau wrote:
> 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.
>> Alain,
>> 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.
>> HTH,
>> B
>> -- 
>>  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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