<div dir="ltr">Hi Poonam,<br><div><br></div><div>Can you share the link of the paper you are referring to? Also please include your band plot and the coordinates of the high symmetry points.</div><div><br></div><div>Best,</div><div>Hari Paudyal</div><div>SUNY Binghamton University</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, May 20, 2021 at 8:05 AM Manoar Hossain <<a href="mailto:manoarphy@niser.ac.in">manoarphy@niser.ac.in</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Hi Poonam, <br></div><div><br></div><div>You can use XCrySDen to find the high symmetry k-points.</div><div><a href="http://www.xcrysden.org/" target="_blank">http://www.xcrysden.org/</a></div><div><br></div><div>Regards,<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, May 20, 2021 at 5:18 PM Poonam Kaushik <<a href="mailto:poonamkaushik40@gmail.com" target="_blank">poonamkaushik40@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Dear Sir,<div>This is true but how do I know like gamma point is at 000 but rest coordinate how to find that is the question.</div><div><br></div><div>Thanks and regards,</div><div>Poonam Sharma<br clear="all"><div><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr">-------------------------------------------------------------------------------------------------<br></div><div dir="ltr">Poonam Sharma<div>Research Scholar </div><div>Department of Physics</div><div>Indian Institute of <span>Technology Bombay</span></div><div><div>Mumbai - 400076<br></div>India.<br></div><div><br></div></div></div></div></div></div></div></div></div></div></div></div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, May 19, 2021 at 7:14 PM Poonam Kaushik <<a href="mailto:poonamkaushik40@gmail.com" target="_blank">poonamkaushik40@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Dear all,<div>I have one query about the high symmetry path for plotting the band structure. From the CIF file, I can calculate the high symmetry path of any material, but in previous research papers if saw the high symmetry path it is different from my one. So for the matching purpose that my band structure is also correct, how can I obtained the same path as mentioned in the literature. </div><div>Also, I observed on ' Material Cloud' the band structure of the same material as I want, I downloaded the CIF file from there but the high symmetry path is coming different as they mention (on the Material Cloud).</div><div>I'll be very thankful if someone suggests me something about this.<br><div><br></div><div>Thanks and regards,</div><div>Poonam Sharma</div><div><div><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr">-------------------------------------------------------------------------------------------------<br></div><div dir="ltr">Poonam Sharma<div>Research Scholar </div><div>Department of Physics</div><div>Indian Institute of <span>Technology Bombay</span></div><div><div>Mumbai - 400076<br></div>India.<br></div><div><br></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>
</blockquote></div>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">www.max-centre.eu</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all"><br>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr">Manoar Hossain<div>Research Scholar</div><div>School of Physical Sciences</div><div>National Institute of Science Education and Research (<span style="font-size:12.8px">NISER)</span></div><div><span style="font-size:12.8px">Bhubaneswar, Jatni, Khurda, Odisha, 752050, INDIA</span></div></div></div></div></div>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">www.max-centre.eu</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div>