<div dir="ltr"><div><div><div><div><div><div>Dear Shamik,<br><br></div>I am also facing the same issue.<br></div>I am trying to solve it.<br></div>I found some useful links:<br><br><a href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10561.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10561.html</a><br><a href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09836.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09836.html</a><br><a href="http://www.wien2k.at/reg_user/faq/qtlb.html">http://www.wien2k.at/reg_user/faq/qtlb.html</a><br><br></div>Please have a look on it.<br><br><br></div>Kind regards<br></div>Bhamu<br><div><div><div><br></div></div></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><span style="color:rgb(0,0,0)"><br></span></div></div></div></div></div></div></div></div></div></div></div>
<br><div class="gmail_quote">On Thu, Oct 13, 2016 at 7:58 PM, shamik chakrabarti <span dir="ltr"><<a href="mailto:shamikphy@gmail.com" target="_blank">shamikphy@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear wien2k users,<div><br></div><div>                         We are trying to simulate tetragonal distortion by doing c/a optimization of a cubic cell. But it shows ghost band error in the first cycle itself. What could be the remedy?</div><div><br></div><div> I am attaching the struct file here with this mail.  </div><div><br></div><div>with regards,<span class="HOEnZb"><font color="#888888"><br clear="all"><div><br></div>-- <br><div class="m_8923809467856509021gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Dr. Shamik Chakrabarti<br>Research Associate</div><div><span style="font-size:12.8px">Electroceramics Lab</span><br>Dept. of Metallurgical & Materials Engineering<br>IIT Kharagpur<br>Kharagpur 721302<br>INDIA</div></div></div></div></div>
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