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Hi,
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<div class="">Shouldn’t this be uniqueb instead of unique_b?</div>
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<div class="">Vahid</div>
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<div class="">Vahid Askarpour<br class="">
Department of Physics and Atmospheric Science<br class="">
Dalhousie University,<br class="">
Halifax, NS, Canada<br class="">
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<blockquote type="cite" class="">
<div class="">On Jan 25, 2018, at 3:17 PM, José C. Conesa <<a href="mailto:jcconesa@icp.csic.es" class="">jcconesa@icp.csic.es</a>> wrote:</div>
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<p class=""><font face="Helvetica, Arial, sans-serif" class="">Hi,</font></p>
<p class=""><font face="Helvetica, Arial, sans-serif" class="">This did not work. By including:</font></p>
<p class=""><font face="Helvetica, Arial, sans-serif" class="">....</font></p>
<p class=""><font face="Helvetica, Arial, sans-serif" class="">&system<br class="">
ibrav=-13<br class="">
space_group=12<br class="">
unique_b=.true.<br class="">
A=14.3100,B=6.3383,C=10.1995,cosAC=-0.70644<br class="">
.....</font></p>
<p class="">this error appeared:</p>
<p class=""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br class="">
Error in routine read_namelists (19):<br class="">
bad line in namelist &system: " unique_b=.true." (error could be in the previous line)<br class="">
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br class="">
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What should be done?<br class="">
Thanks in advance,<br class="">
JC Conesa<br class="">
<br class="">
<div class="moz-cite-prefix">El 25/01/2018 a las 18:12, Paolo Giannozzi escribió:<br class="">
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<blockquote type="cite" cite="mid:CAPMgbCuY41jd6Ax8OgShkLrJhFd_qTqVkcLG6moYCvg82VyBoA@mail.gmail.com" class="">
<div dir="ltr" class="">On Thu, Jan 25, 2018 at 5:34 PM, José Carlos Conesa <span dir="ltr" class="">
<<a href="mailto:jcconesa@icp.csic.es" target="_blank" moz-do-not-send="true" class="">jcconesa@icp.csic.es</a>></span> wrote:<br class="">
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Input ibrav not compatible with space group number</blockquote>
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<div class="">You may need to specify "unique_b=.true."<br class="">
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-- <br class="">
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<div class="">Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br class="">
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br class="">
Phone +39-0432-558216, fax +39-0432-558222<br class="">
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<pre class="moz-signature" cols="72">--
José C. Conesa
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie 2, Cantoblanco
28049 Madrid, Spain
Tel. (+34)915854766</pre>
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