Hi Bruce,
I am a novice of this community and actually have less than two
weeks of experience using IFEFFIT (version 1.2.11
with iff_013 update) and its front end packages Demeter (version
0.9.11) and its predecessor Horae (Athena, Artemis etc. version
0.8.014) running under Windows 7 Professional SP1. They are
excellent software guiding me quickly into this EXAFS world.
Thanks a lot.
However, I feel confused by viewing different results (chi(k))
calculated from three installations of Atoms, namely Atoms within
(D)Artemis, stand alone (D)Atoms, and Atoms within the old
Artemis. I then used the simplest Au.inp as the input for all. I
checked the path outputs making sure the generated paths are
identical and selected individual paths. To my surprise the chi(k)
curves have different envelopes and magnitudes from 3 Atoms. It
seems to me that chi(k) are calculated from the same feff6 program
and should be identical from any installation; no FT range is
involved to affect chi(R). Could you help clarify my confusion?
Perhaps the new Demeter can be improved further. It seems that
only k^2*chi(k) is plotted in Atoms within (D)Artemis, and only
k*chi(k) is plotted in the stand alone (D)Atoms by viewing the
vertical labels in plots. There seems no obvious place I can
change k-weighting like in the old Artemis. I have not been able
to find where, such as Edit preference in the old Artemis, I can
change the default parameters, or learn what parameters are used
in doing FT (kmin, kmax) or window function and so on. I learn
these preference parameters quickly owing to the extensive
documents built-in side by side with "action tabs" in the old
Artemis and the link to html documents in the old Athena. By the
way, watching your videos is an excellent way to learn Demeter but
I had to pause to search related projects or files to run side by
side with videos; some links with video download sites could be
very helpful.
Look forward to reading your answers and utilizing the more
powerful Demeter. Thanks again.
Best regards,
Ku-Ding Tsuei
------------------------
Ku-Ding Tsuei, PhD
Associate Scientist
National Synchrotron Radiation Research Center
101 Hsin-Ann Road
Hsinchu Science Park
Hsinchu, TAIWAN 30076, ROC
email: tsuei@nsrrc.org.tw