<html><body><div style="color:#000; background-color:#fff; font-family:bookman old style, new york, times, serif;font-size:10pt">Dear Peter Blaha Sir,<br><br>Thank you for your reply.<br>Actually as you have mentioned that<br><pre><span class="tab"> </span>....for a "triclinic" case a 6D search by E-tot only is hardly possible.
</pre> somewhere here <a href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg01914.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg01914.html</a><br><br>I thought there is a way around it. <br><br>With kind regards<br>Lawal Mohammed<br><div><span><br></span></div><div style="display: block;" class="yahoo_quoted"> <div style="font-family: bookman old style, new york, times, serif; font-size: 10pt;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 12pt;"> <div dir="ltr"> <font face="Arial" size="2"> On Sunday, April 13, 2014 11:01 PM, Peter Blaha <pblaha@theochem.tuwien.ac.at> wrote:<br> </font> </div> <div class="y_msg_container">You cannot optimize all 6 lattice parameters (a,b,c,,alpha,beta,gamma)<br clear="none">with wien2k (in a reasonable time).<br clear="none"><div class="yqt9252977866" id="yqtfd76924"><br clear="none">Am 13.04.2014
09:25, schrieb Lawal Mohammed:<br clear="none">> Dear Developers and Users,<br clear="none">><br clear="none">> I am trying to optimize lattice parameters for a triclinic crystal system, but there is no option for triclinic in the optimizer.<br clear="none">> Any hint in this regard is appreciated.<br clear="none">><br clear="none">> Kind regards<br clear="none">> Lawal Mohammed</div><br clear="none">><br clear="none">><br clear="none">> _______________________________________________<br clear="none">> Wien mailing list<br clear="none">> <a shape="rect" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none">> <a shape="rect" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br clear="none">> SEARCH the MAILING-LIST at: <a
shape="rect" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br clear="none">><br clear="none"><br clear="none">-- <br clear="none">-----------------------------------------<br clear="none">Peter Blaha<br clear="none">Inst. Materials Chemistry, TU Vienna<br clear="none">Getreidemarkt 9, A-1060 Vienna, Austria<br clear="none">Tel: +43-1-5880115671<br clear="none">Fax: +43-1-5880115698<br clear="none">email: <a shape="rect" ymailto="mailto:pblaha@theochem.tuwien.ac.at" href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a><br clear="none">-----------------------------------------<br clear="none">_______________________________________________<br clear="none">Wien mailing list<br clear="none"><a shape="rect" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at"
href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none"><a shape="rect" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br clear="none">SEARCH the MAILING-LIST at: <a shape="rect" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><div class="yqt9252977866" id="yqtfd85912"><br clear="none"></div><br><br></div> </div> </div> </div> </div></body></html>