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Dear Professor Giannozzi,<br>
<br>
I do not mean this error comes from vdW-DFT, I just report a fact
that I've observed from my run.<br>
I've been trying with and without vdW-DFT and got the same error.<br>
Actually the optimization process looks good with vdW-DFT.<br>
I just don't understand the meaning of this error since it does not
happen with the previous release.<br>
That's my be something obvious for experts but not yet for me.<br>
I'm going the the doc for the last version more carefully and let
you know.<br>
Thank you,<br>
<br>
Eric.<br>
<br>
On 03/24/2011 04:23 AM, Paolo Giannozzi wrote:
<blockquote
cite="mid:73A6AFB2-19FC-44B0-B9CD-24B4BDA82AB6@democritos.it"
type="cite">
<pre wrap="">
On Mar 24, 2011, at 18:45 , Eric Germaneau wrote:
</pre>
<blockquote type="cite">
<pre wrap="">I'm currently trying to do the same thing with the vdW-DF
method implemented in QE 4.3a but the program crash with the error:
from ggen : error # 45126
too many g-vectors
</pre>
</blockquote>
<pre wrap="">
very strange, since this error is in a part of the code that is
not affected at all by vdW-DFT. You mean that if you run the
same input with and without vdW-DFT, you get the error in
the first case and not in the second?
P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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</pre>
</blockquote>
<br>
<div class="moz-signature">-- <br>
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Be the change you wish to see in the world<br>
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— Mahatma Gandhi —<br>
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<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>
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