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Dear stefano,<br>
<br>
Well, I'm relaxing random structures actually.<br>
So, what you said makes sense to me.<br>
I have to avoid this citation.<br>
Thank you,<br>
Best,<br>
<br>
Éric.<br>
<br>
<br>
On 06/27/2011 01:30 AM, Stefano de Gironcoli wrote:
<blockquote
cite="mid:20110627073015.v9g7nrjwg04woo0o@webmail.sissa.it"
type="cite">
<pre wrap="">dear Eric Germanea
one place where this error can occur is in the calculation of the
direct ion-ion interaction.
the error means that the you have too many atoms (>50) in the
close neighborhood of some of your atoms. it's quite an unlikely
situation for a stable structure.
are you studying a system under extremely high pressure with a
very low cutoff ?
stefano
-
Stefano de Gironcoli - SISSA and DEMOCRITOS
Quoting Eric Germaneau <a class="moz-txt-link-rfc2396E" href="mailto:germaneau@gucas.ac.cn"><germaneau@gucas.ac.cn></a>:
</pre>
<blockquote type="cite">
<pre wrap="">Dear QE users,
I recently my self consistent calculations have crashed (pw.x) with the
error "too many r-vectors".
I did not find the meaning and how to avoid it.
Well, I guess it has something to do with real space vectors but that's it.
So, I may need your light here.
Thank you,
Éric.
--
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---
Dr. Éric Germaneau <a class="moz-txt-link-rfc2396E" href="mailto:germaneau@gucas.ac.cn"><mailto:germaneau@gucas.ac.cn></a>
College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China
/Please, if possible, don't send me MS Word or PowerPoint attachments
Why? See: <a class="moz-txt-link-freetext" href="http://www.gnu.org/philosophy/no-word-attachments.html">http://www.gnu.org/philosophy/no-word-attachments.html</a> /
</pre>
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<pre wrap="">
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<br>
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<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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