<div>Hello,</div><div><br /></div><div>Thank you Jürg for your answer!</div><br /><div class="gmail_quote"><div dir="auto" class="gmail_attr">Le lundi 7 avril 2025 à 09:37:04 UTC+2, Jürg Hutter a écrit :<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hi
<br>
<br>k-point symmetry is not working in the current version of CP2K. The only options
<br>available are with/without time inversion.
<br>
<br>regards
<br>JH
<br>
<br>________________________________________
<br>From: <a href data-email-masked rel="nofollow">cp...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>> on behalf of Jean-Marie Ducéré <<a href data-email-masked rel="nofollow">jeanmar...@gmail.com</a>>
<br>Sent: Sunday, April 6, 2025 9:10 PM
<br>To: cp2k
<br>Subject: [CP2K:21328] KPOINTS+SYMMETRY
<br>
<br>Hello,
<br>
<br>I just installed CP2K 2025.1 and built a 2 atoms bcc cell toy system. I am puzzled because I obtain the same K-points whether I set FULLGRID and SYMMETRY on or both of them off: half of the full grid.
<br>Is it because I am doing something wrong (sorry, I do not have currently access to my CP2K folder but I will post further information if required) or symmetry beyond time-reversal is not implemented yet?
<br>Thank you in advance for your answer.
<br>
<br>--
<br>You received this message because you are subscribed to the Google Groups "cp2k" group.
<br>To unsubscribe from this group and stop receiving emails from it, send an email to <a href data-email-masked rel="nofollow">cp2k+uns...@googlegroups.com</a><mailto:<a href data-email-masked rel="nofollow">cp2k+uns...@googlegroups.com</a>>.
<br>To view this discussion visit <a href="https://groups.google.com/d/msgid/cp2k/fcfc2870-63ce-40b9-b063-17b907a0c5a0n%40googlegroups.com" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=fr&q=https://groups.google.com/d/msgid/cp2k/fcfc2870-63ce-40b9-b063-17b907a0c5a0n%2540googlegroups.com&source=gmail&ust=1744127617891000&usg=AOvVaw0_TDTs2lYVuAFqLMtmw0qN">https://groups.google.com/d/msgid/cp2k/fcfc2870-63ce-40b9-b063-17b907a0c5a0n%40googlegroups.com</a><<a href="https://groups.google.com/d/msgid/cp2k/fcfc2870-63ce-40b9-b063-17b907a0c5a0n%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=fr&q=https://groups.google.com/d/msgid/cp2k/fcfc2870-63ce-40b9-b063-17b907a0c5a0n%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1744127617891000&usg=AOvVaw32b0xHfWz174TWuhGhDKJr">https://groups.google.com/d/msgid/cp2k/fcfc2870-63ce-40b9-b063-17b907a0c5a0n%40googlegroups.com?utm_medium=email&utm_source=footer</a>>.
<br></blockquote></div>

<p></p>

-- <br />
You received this message because you are subscribed to the Google Groups "cp2k" group.<br />
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br />
To view this discussion visit <a href="https://groups.google.com/d/msgid/cp2k/18c6582a-b6f0-4b09-b7dd-6c409edce7d3n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/18c6582a-b6f0-4b09-b7dd-6c409edce7d3n%40googlegroups.com</a>.<br />