Hi Shan:
Sorry this took so long but I wanted to get my facts straight on the
structures.
From what I can see, Al2O3 and Y2O3 are both more or less octahedrally
(6-fold) coordinated. I would expect that you get very similar results
with both model (as you do). The only difference might be
Hi Shan,
Nothing at all surprising here. In fact, you're getting pretty good
results, in my opinion. Your CN insists on being "about" 4.8. When
you push the ss, with which CN is correlated, to the top of its
fitted range, the CN increases to about 5.2. To me, that says your CN
is 4.8 +/ 0.4.
Thanks Carlo and Scott for ur response.
Some numbers from my fits in this regard and some more queries.
When I make a cluster based on the Alumina structure (replacing the
central Al with Y with relaxed lattice parameters) I get DW 0.0025 +-
0.002, without any restraint. While I restrain the DW
The oddity that Jeff describes also occurs on the Windows platform (Athena
0.8.050). If you hit the "OK" button in the File-Open window a couple of times
while a dataset is being loaded you will multiple instances loaded into the
data group list that cannot be selected or deleted. The message
Since everyone is bringing up oddities in Athena, at least under
Debian, if you click on the load file button a second time after
setting up the input file parameters before it has completed loading,
you get a second group with the identical name but it is not
selectable and cannot be delet
Hi,
I agree that there have been several unrelated "issues" brought up
here. Some of them are definitely reproducible, if not necessarily
easy to capture as an isolated bug report.
The "out of memory" problem that Paul Fons mentioned is definitely due
to ifeffit's limited, and fixed memory. Th
Bruce,
I believe I have a sequence of events that you can reproduce this problem of
the data selection window locking up in Windows (tested in XP-SP2 and
Win2000-SP4) using Athena 0.8.050.
#1) Open three data sets
#2) Right-click on first dataset choose Plot This Curve..In energy (Left click
t
Hi Sham,
I agree with Carlo. I would also add that you should try different
k-weights, including multiple k-weights at once. Since the dependence
of S02 and ss on k is quite different, that can often reduce the
correlation between the two.
--Scott Calvin
Sarah Lawrence College
At 11:58 PM 1
Hi Bruce,
I'm not sure about Maura's problem, but most of the rest of the
discussion seems to be centered around the same kind of issue. I
don't think any of us can give a proper bug report on it; these
problems seem to be OS-related and may depend on funny things like
what other programs are
Hi folks,
I have been following the discussion in the last few days about problems
people are having on Windows with Athena and Artemis. I trust that everyone
appreciates that my commitment to providing useful, usable software is strong
and that I work very hard to meet that commitment. Unfortu
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