<html><body><div style="color:#000; background-color:#fff; font-family:verdana, helvetica, sans-serif;font-size:16px"><div id="yui_3_16_0_1_1430859586460_7362" dir="ltr"><span>Resp. </span><span style="font-family: 'Helvetica Neue', 'Segoe UI', Helvetica, Arial, 'Lucida Grande', sans-serif; font-size: 13px;" class="">P.Blaha</span></div><div id="yui_3_16_0_1_1430859586460_7362" dir="ltr"><span style="font-family: 'Helvetica Neue', 'Segoe UI', Helvetica, Arial, 'Lucida Grande', sans-serif; font-size: 13px;" class="" id="yui_3_16_0_1_1430859586460_7429">Thanks sir for your kind reply.</span></div><div id="yui_3_16_0_1_1430859586460_7362" dir="ltr"><span style="font-family: 'Helvetica Neue', 'Segoe UI', Helvetica, Arial, 'Lucida Grande', sans-serif; font-size: 13px;" class="">with best regards</span></div><div id="yui_3_16_0_1_1430859586460_7362" dir="ltr"><span style="font-family: 'Helvetica Neue', 'Segoe UI', Helvetica, Arial, 'Lucida Grande', sans-serif; font-size: 13px;" class="">sikander</span></div> <div id="yui_3_16_0_1_1430859586460_7362" class="" style=""><span class="" style=""> </span></div><br><div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: verdana, helvetica, sans-serif; font-size: 16px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div dir="ltr"> <font size="2" face="Arial"> On Tuesday, May 5, 2015 5:33 AM, Peter Blaha <pblaha@theochem.tuwien.ac.at> wrote:<br> </font> </div> <blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; margin-top: 5px; padding-left: 5px;"> <br><br> <div class="y_msg_container">In a spin-polarized case, you have to calculate both spins (up and dn), <br clear="none">before you can run x lapw2 -up -fermi<br clear="none"><br clear="none">Probably this cannot be done directly in xcrysden, but you need to execute<br clear="none"><br clear="none">x lapw1 -dn in a terminal window.<br clear="none"><div class="yqt6244073654" id="yqtfd80799"><br clear="none">On 05/05/2015 01:40 PM, Sikander Azam wrote:<br clear="none">> Resp. All<br clear="none">> Calculating the Fermi surface, I am facing the following problem, please<br clear="none">> help me.<br clear="none">><br clear="none">> Error in lapw2<br clear="none">> 'FERMI" -# of k-points in up and down not equal:<br clear="none">> 'FERMI" -k1, 224 225 check INPUTS OF LAPW1<br clear="none">><br clear="none">> With best regards<br clear="none">> sikander</div><br clear="none">><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" class="removed-link" href="">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none">> <a shape="rect" target="_blank" class="removed-link" href="">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br clear="none">> SEARCH the MAILING-LIST at: <a shape="rect" target="_blank" class="removed-link" href="">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"> P.Blaha<br clear="none">--------------------------------------------------------------------------<br clear="none">Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br clear="none">Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<br clear="none">Email: <a shape="rect" ymailto="mailto:blaha@theochem.tuwien.ac.at" class="removed-link" href="">blaha@theochem.tuwien.ac.at</a> WIEN2k: <a shape="rect" target="_blank" class="removed-link" href="">http://www.wien2k.at</a><br clear="none">WWW: <a shape="rect" target="_blank" class="removed-link" href="">http://www.imc.tuwien.ac.at/staff/tc_group_e.php</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" class="removed-link" href="">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none"><a shape="rect" target="_blank" class="removed-link" href="">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br clear="none">SEARCH the MAILING-LIST at: <a shape="rect" target="_blank" class="removed-link" href="">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><div class="yqt6244073654" id="yqtfd96604"><br clear="none"></div><br><br></div> </blockquote> </div> </div> </div></div></body></html>