<div dir="ltr"><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">I had a similar problem and follow the below steps it will work.<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">1. As mentioned above k-point weight.<br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">2. After SCF , you have to do the keyword 'band' calculations. Looks like you are plotting band structure after nscf, without running 'band' calculations.<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">3. Then do the bands.x calculations to plot the band structure using gnuplot or plotband.x.<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Hope it will help you.<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Manu<br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Aug 31, 2016 at 10:45 AM, Dae Kwang Jun <span dir="ltr"><<a href="mailto:jdaekwang@gmail.com" target="_blank">jdaekwang@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear Santosh, <div><br></div><div>I think the problem is in your nscf calculation. I think that you used the wrong number of weights in k_points or the wrong setting of k_points{setting}.</div><div><br></div><div>Sincerely, </div><span class="HOEnZb"><font color="#888888"><div><br></div></font></span><div><span class="HOEnZb"><font color="#888888">Dae Kwang Jun</font></span><div><div class="h5"><br><br>On Wednesday, 31 August 2016, Santosh Chiniwar <<a href="mailto:santosh.chini@gmail.com" target="_blank">santosh.chini@gmail.com</a>> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div><br></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div><div class="gmail_quote"><br><div dir="ltr">Dear Pw_forum, <div> I am trying to simulate silicon from tutorial. But I couldn't line plot get on Bands.ps. But instead I got point spread.</div><div><br></div><div><img src="cid:ii_156e0eb0966157ef" alt="Inline images 1" style="margin-right:0px" height="211" width="311"></div><div>Bands.in code is following </div><div><div><font color="#ff9900">&bands</font></div><div><font color="#ff9900"> prefix = 'Si_exc2'</font></div><div><font color="#ff9900"> outdir='./'</font></div><div><font color="#ff9900"> filband = 'siliconbands.dat'</font></div><div><font color="#ff9900">/</font></div><div><br></div><div><br></div><div>and </div><div><a href="http://plotbands.in" target="_blank">plotbands.in</a> code is following </div><div><br></div><div><div>bands.dat</div><div><font color="#ff9900">-6.00 10.00</font></div><div><font color="#ff9900">bands.xmgr</font></div><div><font color="#ff9900"><a href="http://bands.ps" target="_blank">bands.ps</a></font></div><div><font color="#ff9900">6.337</font></div><div><font color="#ff9900">1.00 6.337</font></div></div><div> </div><div>Any help or suggestion is appreciated. </div><div><br></div><div>I am looking for band structure plot as following. </div><div><img src="cid:ii_156e0ef4719769bf" alt="Inline images 2" height="197" width="256"><br></div><div><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div><br></div><div>I have used macbook and used preview to open <a href="http://bands.ps" target="_blank">bands.ps</a> in Mac OsX.</div><div><br></div><div>Thank you </div><div><br></div><div><br></div><div><br></div><div><font face="verdana, sans-serif" color="#6633ff"><b><br></b></font></div><div><font face="verdana, sans-serif" color="#6633ff"><b><br></b></font></div><div><br></div></div><div dir="ltr"><div><font face="verdana, sans-serif" size="2"><br> </font><br><div style="display:inline"></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>
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