<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:18pt">I repeat the calculation using the original case.in2c<br><div><span>x kgen (20000)</span></div><div style="color: rgb(0, 0, 0); font-size: 24px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><span>x lapw1</span></div><div style="color: rgb(0, 0, 0); font-size: 24px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><span>x lapw2 -fermi</span></div><pre><span style="color: rgb(205, 35, 44);">STOP LAPW2 - FERMI; weighs written
3.6u 0.0s 0:03.70 99.7% 0+0k 0+11520io 0pf+0w
</span></pre><div style="display: block;" class="yahoo_quoted"> <br> <br> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 18pt;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 12pt;"> <div dir="ltr"> <font face="Arial" size="2"> Le Jeudi 19 décembre 2013 8h49, Peter Blaha <pblaha@theochem.tuwien.ac.at> a écrit :<br> </font> </div> <div class="y_msg_container">Please repeat the calculations, but use the original case.in2c file <br clear="none">(maybe you made an error during editing this file).<br clear="none"><br clear="none">Then do:<br clear="none"><br clear="none">x kgen (20000)<br clear="none">x lapw1 (you don't need -c, this is done automatically)<br clear="none">x lapw2 -fermi (do NOT edit case.in2c before)<br clear="none"><div class="yqt6919906173"
id="yqtfd18573"><br clear="none">On 12/18/2013 05:31 PM, berber mo wrote:<br clear="none">> Dear all users.<br clear="none">><br clear="none">> I install the latest version of WIEN2k (13.1)<br clear="none">> I try to calculate the optic properties :<br clear="none">> 1-x kgen (with 20000)<br clear="none">> 2-x lapw1 -c<br clear="none">> 3-change fermi in place tot (case.in2c)<br clear="none">> 4-x lapw2 -c -fermi<br clear="none">> and I get this error<br clear="none">> At line 60 of file fermi_tmp_.F (unit = 30, file = 'q.energy')<br clear="none">> Fortran runtime error: Bad real number in item 0 of list input<br clear="none">> 2.2u 0.0s 0:02.29 99.5% 0+0k 0+1904io 0pf+0w<br clear="none">> error: command /home/berber/wien/lapw2c lapw2.def failed<br clear="none">> I waiting for your help<br clear="none">> best regards</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" 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"> 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" href="mailto:blaha@theochem.tuwien.ac.at">blaha@theochem.tuwien.ac.at</a> WWW: <br clear="none"><a shape="rect" href="http://info.tuwien.ac.at/theochem/" target="_blank">http://info.tuwien.ac.at/theochem/</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="yqt6919906173" id="yqtfd58995"><br clear="none"></div><br><br></div> </div> </div> </div> </div></body></html>