<div dir="ltr"><div><div><div><div><div>Dear N. Hasan<br></div>pw.x input describes all flags, so you can refer to the link below to understand differences between Crysta_b and Tpiba_b.<br><a href="http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idm140629871987664"><br>http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idm140629871987664</a><br><br></div><tt>Briefly Tipba_b defines K points in units of </tt>2 pi/a while Crystal_b uses crystal coordinates to define them so actually K_points are not exactly the same. <br><br></div>For 2nd Question use xcrysden package to plot K_points in irreducible brillouin zone (IBZ).<br><br></div>Best<br></div><br></div><div class="gmail_extra"><br><div class="gmail_quote">On 27 July 2017 at 23:46, Naseem Hassan <span dir="ltr"><<a href="mailto:raheskoon@gmail.com" target="_blank">raheskoon@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"><div><div><div><div><div><div>Dear Users !<br><br></div>I calculated band strcutre of graphene using K-point path in Crystal_b and tpiba_b format. I see some slight different in the structure of bands. All other parameters/inputs are same. <br></div><br>Why is there such a difference ? <br><br></div>Second additional question please. After ploting band structure I need to draw symmetry lines. How will I draw such lines ?<br><br></div>Thanks you for you attention !<br><br></div>N. Hasan<br></div>UNIST South Korea.<br><div><div><div><div><div><div><div><div><br></div></div></div></div></div></div></div></div></div><div id="m_-625348844254304250DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2"><br>
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