<div dir="auto">Thank you very much.</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, 6 Jul 2022, 6:39 pm Matt Watkins, <<a href="mailto:mattwatkinsuk@gmail.com">mattwatkinsuk@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hello,<div>I used the seeK-path tool (linked in cp2k tools, <a href="https://www.materialscloud.org/work/tools/seekpath" target="_blank" rel="noreferrer">https://www.materialscloud.org/work/tools/seekpath</a>) to generate a band path for graphite.</div><div>Quick look at the results looked reasonable.</div><div>Matt<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Wednesday, 6 July 2022 at 09:22:49 UTC+1 Anjali ganai wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Dear All,<div><br></div><div>I tried finding the band structure of hexagonal boron nitride even but the result does not match with what is expected. Any help is highly appreciated. I can't find what else to change in the input file. Can someone please suggest me something.</div><div><br></div><div>Input file and band structure are attached.</div><div><br></div><div>Regards,</div><div>Anjali</div></div><br><div class="gmail_quote"></div><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Jul 5, 2022 at 12:50 PM Anjali ganai <<a rel="nofollow noreferrer">jk83...@gmail.com</a>> wrote:<br></div></div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear All,<div><br></div><div>I have been trying to get the band structure of graphene. But the band structure doesn't look like a semimetal. I tried with higher value of NPOINTS and changed the Kpoint girds even, but it was of no help. Can anyone please suggest me something.</div><div><br></div><div>The input file and the bandstructure have been attached.</div><div><br></div><div><br></div><div>Regards,</div><div>Anjali</div>
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