michel.schlegel at cea.fr
Wed Jan 9 02:22:07 CST 2008
Alain, as far as plot limits are concerned (the minor question in the
.ppt): these are defined in the right panel of the main Artemis window,
just above the box "document:plotting".
If you want to vizualize the fit limit, you have to check the box near
"window", also on this right panel, and then refresh plotting.
A word on the apparent k-range for the fit, then; this range is defined
from k-range(min)-dk/2 to k-Range(max)-dk/2, with k-range(min),
k-range(max) and dk being defined in the "Fourier and fit parameters"
subpanel. This range is defined so that the value of the apodization
window equals 0.5 at k-range(min) and k-range(max) if you're using a
Hamming window (or one of these classic ones).
> 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
>> > 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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