<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:24px"><div id="yui_3_16_0_1_1435317518101_7983"><span id="yui_3_16_0_1_1435317518101_17028">Dear Fedor,</span></div><div dir="ltr" id="yui_3_16_0_1_1435317518101_9821"><span id="yui_3_16_0_1_1435317518101_9820">There is a very nice utility in WIEN2k, i.e., structeditor as provided by Robert Laskowski, which can be used not only for making supercell, but also for surface, and many other helpful relevant things. For more information, you would look for structeditor in the usersguide, <a id="yui_3_16_0_1_1435317518101_16279" href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a>. </span></div><div id="yui_3_16_0_1_1435317518101_7984"><div>Warmest regards,</div><div id="yui_3_16_0_1_1435317518101_16266">Saeid.<br></div><div id="yui_3_16_0_1_1435317518101_16267"> </div></div><div id="yui_3_16_0_1_1435317518101_7985" class="signature">Sincerely yours,<br>S. Jalali<br>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br>Saeid Jalali Asadabadi,<br>Associate Professor of Physics,<br>Department of Physics, Faculty of Science,<br>University of Isfahan (UI), Hezar Gerib Avenue,<br>81744 Isfahan, Iran.<br>Phones:<br>Dep. of Phys. :+98-031-3793 2435<br>Office :+98-031-3793 4776<br>Fax No. :+98-031-3793 2800<br>E-mail <br> :<a id="yui_3_16_0_1_1435317518101_8009" rel="nofollow" target="_blank" href="mailto:sjalali@sci.ui.ac.ir">sjalali@sci.ui.ac.ir</a><br> :<a id="yui_3_16_0_1_1435317518101_8010" rel="nofollow" target="_blank" href="mailto:sjalali@phys.ui.ac.ir">sjalali@phys.ui.ac.ir</a><br> :<a id="yui_3_16_0_1_1435317518101_8011" rel="nofollow" target="_blank" href="mailto:saeid.jalali.asadabadi@gmail.com">saeid.jalali.asadabadi@gmail.com</a><br> :<a id="yui_3_16_0_1_1435317518101_8012" rel="nofollow" target="_blank" href="mailto:s_jalali_a@yahoo.com">s_jalali_a@yahoo.com</a><br>Homepage :<a id="yui_3_16_0_1_1435317518101_8178" rel="nofollow" target="_blank" href="http://sci.ui.ac.ir/%7Esjalali">http://sci.ui.ac.ir/~sjalali</a><br>www :<a id="yui_3_16_0_1_1435317518101_8050" rel="nofollow" target="_blank" href="http://www.ui.ac.ir/">http://www.ui.ac.ir</a><br>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/</div> <br><div class="qtdSeparateBR"><br><br></div><div style="display: block;" class="yahoo_quoted"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 24px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div dir="ltr"> <font face="Arial" size="2"> On Thursday, June 25, 2015 12:58 PM, Pascal Boulet <pascal.boulet@univ-amu.fr> wrote:<br> </font> </div> <br><br> <div class="y_msg_container"><div id="yiv2056280107"><div>Hi,<div><br clear="none"></div><div>You may want to try VESTA: <a rel="nofollow" shape="rect" target="_blank" href="http://jp-minerals.org/vesta/en/">http://jp-minerals.org/vesta/en/</a></div><div><br clear="none"></div><div>Regards</div><div>Pascal</div><div><br clear="none"><div class="yiv2056280107yqt9940542779" id="yiv2056280107yqt23551"><div><div>Le 25 juin 2015 à 09:11, Fedor Bystrenko <<a rel="nofollow" shape="rect" ymailto="mailto:fedor.bystrenko@mail.ru" target="_blank" href="mailto:fedor.bystrenko@mail.ru">fedor.bystrenko@mail.ru</a>> a écrit :</div><br class="yiv2056280107Apple-interchange-newline" clear="none"><blockquote type="cite">Hi,<br clear="none">Are there any utils in WIEN package for supercell creation? I'm interested not just to enlarge the unit cell, but also to rotate it and cut a surface along some direction.<br clear="none">For example, I take a unit cell of wurzite SiC and want to create a surface with [10-10] orientation. Another question is how to rotate a crystal cell to a given angle along one axis. Any advices/ papers/algorithms are appreciated.<br clear="none">Regards, <br clear="none">Fedor Bystrenko<br clear="none">_______________________________________________<br clear="none">Wien mailing list<br clear="none"><a rel="nofollow" shape="rect" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br clear="none">SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html<br clear="none"></blockquote></div></div><br clear="none"><div>
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