<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><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" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Ftrunk%2FCP2K_INPUT%2FMOTION%2FMD%2FMSST.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGOOnGPJH1kzM0_5NGOqdS1c1L1Pw';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Ftrunk%2FCP2K_INPUT%2FMOTION%2FMD%2FMSST.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGOOnGPJH1kzM0_5NGOqdS1c1L1Pw';return true;">https://manual.cp2k.org/trunk/<wbr>CP2K_INPUT/MOTION/MD/MSST.html</a>
<br>
<br>regards
<br>
<br>Juerg
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<br>From: Yiyang 
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<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>
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