<p dir="ltr">Which K_POINTS did you choose when you did your bands calculation with pw.x?</p>
<p dir="ltr">Andrew Supka<br>
PhD Student - Science of Advanced Materials<br>
Central Michigan University</p>
<div class="gmail_extra"><br><div class="gmail_quote">On Sep 3, 2016 5:31 AM, "Santosh Chiniwar" <<a href="mailto:santosh.chini@gmail.com" target="_blank">santosh.chini@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><span style="font-size:12.8px">If anybody can give me the simplest example for silicon Energy band dispersion ( for a single unit cell). </span><div style="font-size:12.8px"><br></div><div style="font-size:12.8px">I couldn't find a manual on how to write a code for Quantum Espresso. I followed some tutorial example and tried with it. </div><div style="font-size:12.8px"><br></div><div style="font-size:12.8px"> I may be completely wrong to do it. </div><div style="font-size:12.8px"><br></div><div style="font-size:12.8px"> Can anybody tell me or direct me to a good resource? <br></div><div style="font-size:12.8px"><br></div><div style="font-size:12.8px">Thank you very much</div></div><div class="gmail_extra"><br><div class="gmail_quote">On 3 September 2016 at 15:01, Santosh Chiniwar <span dir="ltr"><<a href="mailto:santosh.chini@gmail.com" target="_blank">santosh.chini@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">Thanks for reply, <div><br></div><div>First of all, I am new to this forum and I couldn't see reply until searching with similar Topic :). Thanks for the reply. </div><div><br></div><div>Looks like I made lots of mistake!!! </div><div><br></div><div>Can anybody please give me the procedure to get bands structrue with some example. so that I can follow it. </div><div><br></div><div>Thank you very much </div><div> </div><div class="gmail_extra"><br></div><div class="gmail_extra">Kind Regards </div><div><div><div class="gmail_extra"><br><div class="gmail_quote">On 2 September 2016 at 19:43, Santosh Chiniwar <span dir="ltr"><<a href="mailto:santosh.chini@gmail.com" target="_blank">santosh.chini@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><p dir="ltr">May get any reply from anybody.<br>
Thank you</p><div><div>
<div class="gmail_extra"><br><div class="gmail_quote">On 02-Sep-2016 9:40 am, "Santosh Chiniwar" <<a href="mailto:santosh.chini@gmail.com" target="_blank">santosh.chini@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><p dir="ltr">May I accept any reply please</p>
<p dir="ltr">thanks and kind regards<br>
iquantware</p>
<div class="gmail_extra"><br><div class="gmail_quote">On 31-Aug-2016 10:12 pm, "Santosh Chiniwar" <<a href="mailto:santosh.chini@gmail.com" target="_blank">santosh.chini@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><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" width="311" height="211" style="margin-right:0px"></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" width="256" height="197"><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 color="#6633ff" face="verdana, sans-serif"><b><br></b></font></div><div><font color="#6633ff" face="verdana, sans-serif"><b><br></b></font></div><div><br></div></div><div dir="ltr"><div><font size="2" face="verdana, sans-serif"><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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