<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:14px"><div dir="ltr"><span>hi friends</span></div><div style="color: rgb(0, 0, 0); font-size: 14px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;" dir="ltr"><span>when I run scf for my nano layer I have this error</span></div><div style="color: rgb(0, 0, 0); font-size: 14px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;" dir="ltr"><span>"2263</span></div><div style="color: rgb(0, 0, 0); font-size: 14px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;" dir="ltr"><span>lapwcpara -up -c"</span></div><div style="color: rgb(0, 0, 0); font-size:
14px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;" dir="ltr"><span>pleas help me. what should I do?</span></div><div style="color: rgb(0, 0, 0); font-size: 14px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;" dir="ltr"><span>thanks</span></div><div> </div><div><div dir="ltr">-- <br></div><div dir="ltr">Mona Rahimian MSc Student<br></div><div dir="ltr">Physics Department,<br></div><div dir="ltr">College of Sciences<br></div><div dir="ltr">Shiraz University, Shiraz, Iran<br></div><div dir="ltr">E-mail address:rahimian91@ymail.com <br></div></div><div><br></div> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif; font-size: 14px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande,
Sans-Serif; font-size: 16px;"> <div dir="ltr"> <hr size="1"> <font face="Arial" size="2"> <b><span style="font-weight:bold;">From:</span></b> Mona Rahimian <rahimian91@ymail.com><br> <b><span style="font-weight: bold;">To:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <br> <b><span style="font-weight: bold;">Sent:</span></b> Friday, 7 November 2014, 23:49:39<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [Wien] relaxation (was:_nb in dscgst.F 256 128)<br> </font> </div> <div class="y_msg_container"><br><div id="yiv0180126931"><div><div style="color:#000;background-color:#fff;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:14px;"><div dir="ltr"><span>hi</span></div><div dir="ltr" style="color:rgb(0, 0, 0);font-size:14px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande,
Sans-Serif;background-color:transparent;font-style:normal;"><span>how can I sure, force in my supercell is 0 and it is relax?</span></div><div dir="ltr" style="color:rgb(0, 0, 0);font-size:14px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;background-color:transparent;font-style:normal;"><span>thanks</span></div><div> </div><div><div dir="ltr">-- <br clear="none"></div><div dir="ltr">Mona Rahimian MSc Student<br clear="none"></div><div dir="ltr">Physics Department,<br clear="none"></div><div dir="ltr">College of Sciences<br clear="none"></div><div dir="ltr">Shiraz University, Shiraz, Iran<br clear="none"></div><div dir="ltr">E-mail
address:rahimian91@ymail.com <br clear="none"></div></div><div><br clear="none"></div> <div class="qtdSeparateBR"><br><br></div><div class="yiv0180126931yqt0344024183" id="yiv0180126931yqt39362"><div style="font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:14px;"> <div style="font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:16px;"> <div dir="ltr"> <hr size="1"> <font face="Arial" size="2"> <b><span style="font-weight:bold;">From:</span></b> Stefaan Cottenier <Stefaan.Cottenier@UGent.be><br clear="none"> <b><span style="font-weight:bold;">To:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <br clear="none"> <b><span style="font-weight:bold;">Sent:</span></b> Wednesday, 29 October 2014, 0:12:46<br clear="none"> <b><span style="font-weight:bold;">Subject:</span></b> Re: [Wien] relaxation (was:_nb
in dscgst.F 256 128)<br clear="none"> </font> </div> <div class="yiv0180126931y_msg_container"><br clear="none"><div dir="ltr"><br clear="none">> I want to start relax calculation for my supercell.<br clear="none">> I dont know what should I do?<br clear="none">> help me.<br clear="none"><br clear="none">step 1: read the usersguide (search for the keywords 'relax' or 'optim')<br clear="none"><br clear="none">step 2: study Peter's wien2k workshop slides at <br clear="none"><a rel="nofollow" shape="rect" target="_blank" href="http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/">http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/ </a>, in <br clear="none">particular<br clear="none"><br clear="none"><a rel="nofollow" shape="rect" target="_blank"
href="http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/WIEN2k-getting_started.pdf">http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/WIEN2k-getting_started.pdf </a><br clear="none">: this one contains information about a.o. relaxation<br clear="none"><br clear="none"><a rel="nofollow" shape="rect" target="_blank" href="http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/Exercises_13.pdf">http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/Exercises_13.pdf </a><br clear="none">: this one contains exercises about a.o. relaxation<br clear="none"><br clear="none">After having done this, most likely your question will have been solved.<br clear="none"><br clear="none">Stefaan<div class="yiv0180126931qtdSeparateBR"><br clear="none"><br clear="none"></div><div class="yiv0180126931yqt8180493288" id="yiv0180126931yqtfd03541"><br clear="none"><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"><a rel="nofollow" shape="rect" target="_blank" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br clear="none">SEARCH the MAILING-LIST at: <a rel="nofollow" shape="rect" target="_blank" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br clear="none"></div></div><br clear="none"><br clear="none"></div> </div> </div></div> </div></div></div><br><br></div> </div> </div> </div></body></html>