Dear user，<div><br /></div><div>I have just learned CP2K for few months. I have met the same problems, I want to konow how to apply a constant strain for a system. We want to calculate the strain-stress curves. Do you solve your problems? Could you offer some advice for this question? </div><div>Thank you for your reply.</div><br /><div class="gmail_quote"><div dir="auto" class="gmail_attr">Yiyang 在 2016年11月22日星期二凌晨3:20:06 [UTC+8] 的信中寫道：<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">Hi Juerg,<div><br></div><div>Thank you for your suggestion.</div><div>However, although MSST can deform the box, it simulates only the shock Hugoniot state, which is not a general deformed state.</div><div>So we can not use it to study general deformation, especially at relatively low strain rate.</div><div><br></div><div>Regards</div><div>Yiyang </div></div><div dir="ltr"><div><br><br>On Saturday, November 19, 2016 at 7:16:54 AM UTC-7, jgh wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex">Hi <br> <br>maybe this is for you? <br> <br><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/MOTION/MD/MSST.html" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=zh-TW&q=https://manual.cp2k.org/trunk/CP2K_INPUT/MOTION/MD/MSST.html&source=gmail&ust=1682648149132000&usg=AOvVaw22RXRoFHDYnYqDNY2q1EEl">https://manual.cp2k.org/trunk/CP2K_INPUT/MOTION/MD/MSST.html</a> <br> <br>regards <br> <br>Juerg <br>-------------------------------------------------------------- <br>Juerg Hutter Phone : <a href="tel:+41%2044%20635%2044%2091" value="+41446354491" target="_blank" rel="nofollow">++41 44 635 4491</a> <br>Institut für Chemie C FAX : <a href="tel:+41%2044%20635%2068%2038" value="+41446356838" target="_blank" rel="nofollow">++41 44 635 6838</a> <br>Universität Zürich E-mail: <a rel="nofollow">hut...@chem.uzh.ch</a> <br>Winterthurerstrasse 190 <br>CH-8057 Zürich, Switzerland <br>--------------------------------------------------------------- <br> <br>-----<a rel="nofollow">cp...@googlegroups.com</a> wrote: -----To: cp2k <<a rel="nofollow">cp...@googlegroups.com</a>> <br>From: Yiyang <br>Sent by: <a rel="nofollow">cp...@googlegroups.com</a> <br>Date: 11/18/2016 06:40PM <br>Subject: [CP2K:8416] How to specify deformation on simulation box <br> <br>Hello, <br>I wonder if there is a command to deform the simulation box with constantstrain rate, so we can simulate the box under tension, compression or shear? <br>I have searched the CP2K manual website for this but without any luck. <br>Thank you. <br>Regard,Yiyang <br> <br> <br> <br>-- <br> <br>You received this message because you are subscribed to the Google Groups "cp2k" group. <br> <br>To unsubscribe from this group and stop receiving emails from it, send an email to <a rel="nofollow">cp2k+uns...@googlegroups.com</a>. <br> <br>To post to this group, send email to <a rel="nofollow">cp...@googlegroups.com</a>. <br> <br>Visit this group at <a href="https://groups.google.com/group/cp2k" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=zh-TW&q=https://groups.google.com/group/cp2k&source=gmail&ust=1682648149132000&usg=AOvVaw2NrX9Yx22lfyvGxvdnhbhO">https://groups.google.com/group/cp2k</a>. <br> <br>For more options, visit <a href="https://groups.google.com/d/optout" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=zh-TW&q=https://groups.google.com/d/optout&source=gmail&ust=1682648149132000&usg=AOvVaw0JjQh5SavFZ-cGUtvvUCoG">https://groups.google.com/d/optout</a>. <br> <br> <br></blockquote></div></div></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 on the web visit <a href="https://groups.google.com/d/msgid/cp2k/ec52c755-e979-4e53-95eb-1868d3de110bn%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/ec52c755-e979-4e53-95eb-1868d3de110bn%40googlegroups.com</a>.<br />