<div dir="ltr">Hi Juerg,<div> </div><div>It works,thanks a lot! Belated happy new year.</div><div> </div><div>Best</div><div>Yun 在 2017年1月3日星期二 UTC+8下午5:46:43，jgh写道：<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi If you specify a c-vector of length 0.000, the volume of your cell is 0! &CELL A 9.863 0.000 0.000 B 4.932 8.542 0.000 C 0.000 0.000 0.000 PERIODIC XYZ MULTIPLE_UNIT_CELL 1 1 1 &END CELL 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="XJjnehwJFAAJ" 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="XJjnehwJFAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a> wrote: -----To: cp2k <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="XJjnehwJFAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>> From: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="XJjnehwJFAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">any...@gmail.com</a> Sent by: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="XJjnehwJFAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a> Date: 01/03/2017 10:37AM Subject: [CP2K:8519] a problem about "An invalid set of cell vectors was specified. The determinant det(h) is too small" Dear all, I want to do the cell_opt for the 4X4X2 graphite, but the output file always showed that" An invalid set of cell vectors was specified. The determinant det(h) is too small ". Could anyone tell me the reasons for this? The attachments are my input and output files.Thanks very much for all your help! BestYun -- 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="XJjnehwJFAAJ" 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="XJjnehwJFAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>. Visit this group at <a href="https://groups.google.com/group/cp2k" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/group/cp2k';return true;" onclick="this.href='https://groups.google.com/group/cp2k';return true;">https://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>. [attachment "cell_opt2.inp" removed by Jürg Hutter/at/UZH] [attachment "output" removed by Jürg Hutter/at/UZH] </blockquote></div></div>