[Ifeffit] Artemis bug?
SCalvin at slc.edu
Tue Oct 26 17:15:50 CDT 2004
I seem to be encountering a bug in adding paths to a FEFF calculation
with Artemis. To see this bug, follow these steps:
1) open the Artemis project that comes with the distribution under
ifeffit/examples/Artemis/ybco/cu.apj (that's the YBCO copper edge
2) Discard a path (#4 is what I just tried) under the FEFF1
calculation. Make sure it's the one under FEFF1, and not FEFF0.
3) Click on FEFF1 under the Data & Paths pane, so that the
interpretation of that calculation shows. Right click on path 4 in
the interpretation, and choose "Add feff0004.dat to path list."
When I do this, it adds to the FEFF0 calculation, rather than the
FEFF1 calculation as it should.
Or, try this instead for step 3:
3) Click on FEFF1 under the Data & Paths pane. Go to the "theory"
menu at the top, and choose "Add a feff path." Then select
feff0004.dat from the list.
When I do it this way, it ends up as a totally new FEFF calculation,
rather than as part of FEFF1.
I am using Windows XP and Artemis 0.7.010.
Sarah Lawrence College
P.S. Do you prefer me to identify bugs the way I did here, by telling
you how to reproduce it using an example file, or by sending you a
project file myself? It makes sense to me that I refer it to an
example file that you more or less know the history of, but if you'd
rather I send project files myself, I'm happy to do that.
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