<div dir="ltr">Ah ok, that's why it didn't work for me. Well, thanks for this answer anyway!<div> </div><div>Lila Le lundi 2 mars 2015 14:43:45 UTC+1, jgh a écrit :<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi the k-point implementation in CP2K is only active for a reference method (SCPTB). For all other electronic structure methods, most notably KS-DFT, we hope to get it ready for one of the next releases. best regards Juerg -------------------------------------------------------------- Juerg Hutter Phone : ++41 44 635 4491 Institut für Chemie C FAX : ++41 44 635 6838 Universität Zürich E-mail: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="sl4uz6lCbdgJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">hut...@chem.uzh.ch</a> Winterthurerstrasse 190 CH-8057 Zürich, Switzerland --------------------------------------------------------------- -----<a href="javascript:" target="_blank" gdf-obfuscated-mailto="sl4uz6lCbdgJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a> wrote: -----To: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="sl4uz6lCbdgJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a> From: Lila Bouëssel Du Bourg Sent by: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="sl4uz6lCbdgJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a> Date: 03/02/2015 02:02PM Subject: [CP2K:6169] k-point in CP2K Hi everyone,To make it short, what is the weight of a k-point ? If we want more than one kpoint, do we just need to repeat "kpoint" with other coordinates ? Are the coordinates in Brillouin zone ? What am I suppose to write after "scheme" ?For exemple, if I have one cell of 5A, 5A and 10A and that I want 2x2x1 kpoints, how do I implement that ?Thanks for helping ! Lila PS: <a href="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/KPOINTS.html" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fmanual.cp2k.org%2Ftrunk%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT%2FKPOINTS.html\46sa\75D\46sntz\0751\46usg\75AFQjCNHF_XzMyvjbOYd5_f7aNTK3ngyASw';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fmanual.cp2k.org%2Ftrunk%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT%2FKPOINTS.html\46sa\75D\46sntz\0751\46usg\75AFQjCNHF_XzMyvjbOYd5_f7aNTK3ngyASw';return true;">http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/KPOINTS.html</a> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="sl4uz6lCbdgJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp2k+uns...@googlegroups.com</a>. To post to this group, send email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="sl4uz6lCbdgJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>. Visit this group at <a href="http://groups.google.com/group/cp2k" target="_blank" rel="nofollow" onmousedown="this.href='http://groups.google.com/group/cp2k';return true;" onclick="this.href='http://groups.google.com/group/cp2k';return true;">http://groups.google.com/group/cp2k</a>. For more options, visit <a href="https://groups.google.com/d/optout" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/optout';return true;" onclick="this.href='https://groups.google.com/d/optout';return true;">https://groups.google.com/d/optout</a>. </blockquote></div></div>