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<p><font face="Helvetica, Arial, sans-serif">Hi,</font></p>
<p><font face="Helvetica, Arial, sans-serif">Indeed, that's what
works.</font></p>
<p><font face="Helvetica, Arial, sans-serif">It is a nuisance that
ibrav=-13 option is not included in the html manual - but is
mentioned in uniqueb!</font></p>
<p><font face="Helvetica, Arial, sans-serif">Thanks,</font></p>
<p><font face="Helvetica, Arial, sans-serif">JC Conesa</font><br>
</p>
<br>
<div class="moz-cite-prefix">El 25/01/2018 a las 20:26, Vahid
Askarpour escribió:<br>
</div>
<blockquote type="cite"
cite="mid:60C745F7-EAAC-4B6B-B35C-C011169C9D4D@dal.ca">
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
Hi,
<div class=""><br class="">
</div>
<div class="">Shouldn’t this be uniqueb instead of unique_b?</div>
<div class=""><br class="">
</div>
<div class="">Vahid</div>
<div class=""><br class="">
</div>
<div class="">Vahid Askarpour<br class="">
Department of Physics and Atmospheric Science<br class="">
Dalhousie University,<br class="">
Halifax, NS, Canada<br class="">
<div><br class="">
<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=""
moz-do-not-send="true">jcconesa@icp.csic.es</a>>
wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div text="#000000" bgcolor="#FFFFFF" class="">
<p class=""><font class="" face="Helvetica, Arial,
sans-serif">Hi,</font></p>
<p class=""><font class="" face="Helvetica, Arial,
sans-serif">This did not work. By including:</font></p>
<p class=""><font class="" face="Helvetica, Arial,
sans-serif">....</font></p>
<p class=""><font class="" face="Helvetica, Arial,
sans-serif">&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="">
<br class="">
</p>
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="">
</div>
<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="">
<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 class="">
Input ibrav not compatible with space
group number</blockquote>
<div class=""> </div>
<div class="">You may need to specify
"unique_b=.true."<br class="">
</div>
<br class="">
</div>
-- <br class="">
<div class="gmail_signature"
data-smartmail="gmail_signature">
<div dir="ltr" class="">
<div class="">
<div dir="ltr" class="">
<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="">
<br class="">
</div>
</div>
</div>
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<br class="">
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<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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<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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