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Dear Izaak,<br>
<br>
First of all this is not the right place to post such request.<br>
You's better make a post to XcrySDen mailing list.<br>
Then, the problem does not come from QE but rather the version of
XcrySDen you use.<br>
I use the last release and I don't have any trouble.<br>
It makes sence to update XcrySDen when you update QE since it adapts
according to QE features.<br>
Hope it help.<br>
Best,<br>
<br>
Éric.<br>
<br>
On 06/15/2011 01:22 PM, Izaak Williamson wrote:
<blockquote cite="mid:139345.24926.qm@web43410.mail.sp1.yahoo.com"
type="cite">
<style type="text/css"><!-- DIV {margin:0px;} --></style>
<div style="font-family: times new roman,new york,times,serif;
font-size: 12pt;"><font size="3"><span style="font-family: times
new roman,new york,times,serif;">Hello everyone,</span><br
style="font-family: times new roman,new york,times,serif;">
</font>
<div style="font-family: times new roman,new york,times,serif;
font-size: 12pt;">
<div style="font-family: times new roman,new york,times,serif;
font-size: 12pt;">
<div style="font-family: times new roman,new
york,times,serif;" class="gmail_quote"><font size="3"><br>
I use XCrySDen frequently to view my structures built
with Quantum ESPRESSO. When I open old relax output
files in XCrySDen that were produced with
espresso-3.2.3, I can view "latest coordinates" or "all
coordinates as animation" with no troubles. When I was
using espresso-4.1.3, there must have been a certain
line (or lack of a line) in the output files that made
them not work in XCrySDen. Specifically, when I open
these outputs in XCrySDen, only the "view initial
coordinates" button works. By viewing "optimized
coordinates" I get an error that reads:<br>
<br>
ERROR: while executing exec sh
../XCrySDen-1.4.1bin-static/scripts/pwo2xsf.sh --optcoor
../relax.out > pwo2xsf.xsf.<br>
<br>
and when I click on "Error Info" it says:<br>
<br>
Child process exited abnormally<br clear="all">
<br>
The "view latest coordinates" option produces a blank
window and the "view all coordinates as animation"
option only shows one slide (the initial structure). I
think these errors were caused by a change that was made
in the wording of the output files with the update of
espresso-4.1.3 because when I compiled espresso-4.2.1, I
did not have any of these problems. Now I am using the
most recent version, espresso-4.3.1, and I am getting
the same errors that I did with 4.1.3.<br>
<br>
What, in the code, is causing these problems to arise?
Should I try updating my version of XCrySDen (from
1.4.1)? Any incite on the matter would be much
appreciated.<br>
<br>
Thanks in advance.<br>
<br>
</font>
</div>
<font size="3"><span style="font-family: times new roman,new
york,times,serif;">-- </span><br style="font-family:
times new roman,new york,times,serif;">
</font><font style="font-family: times new roman,new
york,times,serif;" size="3">Izaak Williamson</font><font
size="3"><br style="font-family: times new roman,new
york,times,serif;">
<span style="font-family: times new roman,new
york,times,serif;">
Research Assistant</span><br style="font-family: times
new roman,new york,times,serif;">
<span style="font-family: times new roman,new
york,times,serif;">Physics Department</span><br
style="font-family: times new roman,new
york,times,serif;">
<span style="font-family: times new roman,new
york,times,serif;">Boise State University</span></font><br>
<br>
</div>
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</blockquote>
<br>
<div class="moz-signature">-- <br>
<center>
<font color="#946e8c">
<em>
Be the change you wish to see in the world<br>
</em>
<small>
<font color="#946e8c">
— Mahatma Gandhi —<br>
</font></small>
<br>
<a href="mailto:germaneau@gucas.ac.cn">Dr. Éric Germaneau</a><br>
<br>
College of Physical Sciences<br>
Graduate University of Chinese Academy of Sciences<br>
Yuquan Road 19A<br>
Beijing 100049<br>
China<br>
<br>
<small>
<em>
<font style="color: rgb(73, 136, 72);" face="Times">
Please, if possible, don't send me MS Word or PowerPoint
attachments<br>
Why? See: <a
href="http://www.gnu.org/philosophy/no-word-attachments.html"
style="text-decoration: none;"><font color="#498848">http://www.gnu.org/philosophy/no-word-attachments.html</font></a>
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