<div dir="ltr">Dear Juerg,<div> </div><div>It's worked, thank you very much for the help!</div><div> </div><div>Best regards,</div><div>Yun 在 2016年12月29日星期四 UTC+8下午7:33:04，jgh写道：<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi you have to delete the two &END on lines 30 and 31 (after STRESS_TENSOR ANALYTICAL). You have to be careful with the Keywords and matching &ENDs. 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="N__ZVwOGEgAJ" 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="N__ZVwOGEgAJ" 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="N__ZVwOGEgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a> From: yun an Sent by: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="N__ZVwOGEgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a> Date: 12/29/2016 12:16PM Subject: [CP2K:8502] a cp2k input problem Dear sir/madam, Sorry to trouble you. I am a new beginner for using CP2K, in the past few days I came across a problem. I want to do the cell opt for the 2X2X2 graphite, but the output file always showed that" An invalid set of cell vectors was specified. The determinant det(h) is too small ". I don't find the solution for it. Could you help me to see what's the reson for it? Thank you very much. The attachments are my input and output files. Thank you again and have a nice day. Best regards,Sincerely,Yun -- 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="N__ZVwOGEgAJ" 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="N__ZVwOGEgAJ" 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_opt1.inp" removed by Jürg Hutter/at/UZH] [attachment "output" removed by Jürg Hutter/at/UZH] </blockquote></div></div>