<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "> Rad,<div><br class="webkit-block-placeholder"></div><div>the change is already there.. </div><div>Yo have the STRESS TENSOR in non-MD calculations (or even in MD calculations) just remember to specify the </div><div>keywords STRESS_TENSOR in the FORCE_EVAL section. Check my last e-mails or the input reference online</div><div>for the possible values of this keyword:</div><div><br class="webkit-block-placeholder"></div><div><a href="http://cp2k.berlios.de/input/InputReference~__ROOT__~FORCE_EVAL.html#STRESS_TENSOR">http://cp2k.berlios.de/input/InputReference~__ROOT__~FORCE_EVAL.html#STRESS_TENSOR</a></div><div><br class="webkit-block-placeholder"></div><div>Cheers</div><div>Teo </div><div><br class="webkit-block-placeholder"></div><div><div><div>On 17 Dec 2007, at 14:24, Rad wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Oh yes, I do require stress tensor in non-md calculations. Presently I</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">am doing an MD to calculate the tensor. Please keep us posted when the</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">change happens.</font></p> </blockquote></div><br></div></body></html>