<div dir="ltr">"uniqueb" (no underscore)<br></div><div class="gmail_extra"><br><div class="gmail_quote">On Thu, Jan 25, 2018 at 8:17 PM, José C. Conesa <span dir="ltr"><<a href="mailto:jcconesa@icp.csic.es" target="_blank">jcconesa@icp.csic.es</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF">
<p><font face="Helvetica, Arial, sans-serif">Hi,</font></p>
<p><font face="Helvetica, Arial, sans-serif">This did not work. By
including:</font></p>
<p><font face="Helvetica, Arial, sans-serif">....</font></p>
<p><font face="Helvetica, Arial, sans-serif"> &system<br>
ibrav=-13<br>
space_group=12<br>
unique_b=.true.<br>
A=14.3100,B=6.3383,C=10.1995,<wbr>cosAC=-0.70644<br>
.....</font></p>
<p>this error appeared:</p>
<p> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br>
Error in routine read_namelists (19):<br>
bad line in namelist &system: " unique_b=.true."
(error could be in the previous line)<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br>
<br>
</p>
What should be done?<br>
Thanks in advance,<br>
JC Conesa<br>
<br>
<div class="m_-3104163825344271376moz-cite-prefix">El 25/01/2018 a las 18:12, Paolo
Giannozzi escribió:<br>
</div>
<blockquote type="cite">
<div dir="ltr">On Thu, Jan 25, 2018 at 5:34 PM, José Carlos Conesa
<span dir="ltr"><<a href="mailto:jcconesa@icp.csic.es" target="_blank">jcconesa@icp.csic.es</a>></span>
wrote:<br>
<div class="gmail_extra">
<div class="gmail_quote">
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><br>
Input ibrav not compatible with space group number</blockquote>
<div> </div>
<div>You may need to specify "unique_b=.true."<span class="HOEnZb"><font color="#888888"><br>
</font></span></div><span class="HOEnZb"><font color="#888888">
<br>
</font></span></div><span class="HOEnZb"><font color="#888888">
-- <br>
<div class="m_-3104163825344271376gmail_signature" data-smartmail="gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div>Paolo Giannozzi, Dip. Scienze Matematiche
Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine,
Italy<br>
Phone <a href="tel:+39%200432%20558216" value="+390432558216" target="_blank">+39-0432-558216</a>, fax <a href="tel:+39%200432%20558222" value="+390432558222" target="_blank">+39-0432-558222</a><br>
<br>
</div>
</div>
</div>
</div>
</div>
</font></span></div><span class="HOEnZb"><font color="#888888">
</font></span></div><span class="HOEnZb"><font color="#888888">
<br>
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<br>
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<br>
<pre class="m_-3104163825344271376moz-signature" cols="72">--
José C. Conesa
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie 2, Cantoblanco
28049 Madrid, Spain
Tel. <a href="tel:+34%20915%2085%2047%2066" value="+34915854766" target="_blank">(+34)915854766</a></pre>
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