<html><head></head><body><div class="ydpd11458dfyahoo-style-wrap" style="font-family: verdana, helvetica, sans-serif; font-size: 16px;"><div id="ydpd11458dfyiv5775682058"><div><div class="ydpd11458dfyiv5775682058ydp28f28b73yahoo-style-wrap" style="font-family:verdana, helvetica, sans-serif;font-size:16px;"><div><div>Dear Gavin,</div><div><br clear="none"></div><div>Thank you very much for your suggestion. Yes, I have tried different size of heavier plotting but in vain. What I observed was, the program does not read/recognise my jtype input for my case, because on w2web only atom number and size are printed. However, I can plot the band structure without editing the band character options.</div><div><br clear="none"></div><div>Dear Prof <span><span style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;">Laurence Marks,</span></span></div><div>I am sorry for going back, in my previous mail I used <b>-i 150</b>, but the scf circles terminate at 40 iterations. Why should it stops at 40 while it's suppose to reach 150, because of -i 150?</div><div><br clear="none"></div><div>Many thanks for your time.</div><div><br clear="none"></div><div>With kind regards.</div><div class="ydpd11458dfyiv5775682058ydp28f28b73signature"><p style="font-family:verdana, helvetica, sans-serif;font-size:16px;"><b><font size="3" face="verdana, helvetica, sans-serif"><i>Lawal <br clear="none"></i></font></b></p></div></div>
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On Thursday, October 11, 2018, 9:29:38 AM GMT+8, Gavin Abo <gsabo@crimson.ua.edu> wrote:
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<div>1) I tried to plot band character by editing case.insp as
explained in the user guide, but band character for the
selected orbital is not showing. I run a TiC example as
test-case and it works fine, what could have been the
problem?</div></div>
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<p>The band character plot using the default "line switch" of 0.2
works well for TiC but it does not always work well for other
structures [
<a rel="nofollow" shape="rect" class="yiv5775682058moz-txt-link-freetext" target="_blank" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16414.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16414.html</a>
]. Have you tried increasing the "line switch" value?</p><div class="yiv5775682058yqt9055225925" id="yiv5775682058yqtfd56110"><br clear="none">
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</div></div></div>_______________________________________________<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><div class="yiv5775682058yqt9055225925" id="yiv5775682058yqtfd73508"><br clear="none"></div></div></div></body></html>