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<div class="moz-cite-prefix">Hello,<br>
<br>
here are the input & ouptut files.<br>
<br>
Best regards<br>
<br>
Peter<br>
<br>
Am 26.05.2016 um 11:39 schrieb Alexander Mitrushchenkov:<br>
</div>
<blockquote cite="mid:bf72add9-0312-94c8-3174-7e1a42acaa95@u-pem.fr"
type="cite">Hello,
<br>
<br>
Can you please post the whole input, I'll take a look at the
problem?
<br>
<br>
Best wishes,
<br>
<br>
Alexander
<br>
<br>
Le 26/05/2016 à 09:14, Peter Burger a écrit :
<br>
<blockquote type="cite">Dear experts,
<br>
<br>
I have another question.
<br>
<br>
NEVPT2 calculations for a single state of a CAS [13,14] active
space stop with the message
<br>
<br>
"arg of npos too large"
<br>
<br>
What does this mean - what should/can I do?
<br>
<br>
I am using the 2015.1 binary.
<br>
<br>
Many thx in advance
<br>
<br>
Peter
<br>
<br>
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</blockquote>
<br>
<br>
</blockquote>
<br>
<p><br>
</p>
<pre class="moz-signature" cols="72">--
Univ.-Prof. Dr. Peter Burger
Institut fuer Anorganische und Angewandte Chemie
Universitaet Hamburg
Martin-Luther-King-Platz 6
D-20146 Hamburg
Tel.:+49 040 42838 3662
FAX 6097
email: <a class="moz-txt-link-abbreviated" href="mailto:burger@chemie.uni-hamburg.de">burger@chemie.uni-hamburg.de</a>
<a class="moz-txt-link-freetext" href="http://www.chemie.uni-hamburg.de/ac/burger/index.html">http://www.chemie.uni-hamburg.de/ac/burger/index.html</a></pre>
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