<div dir="ltr">Hi,<br><br>you may specify the atomic coordinates as so-called scaled coordinates by using the keyword SCALED in the &COORD section:<br><br><a href="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/COORD.html#desc_SCALED">http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/COORD.html#desc_SCALED</a><br><br>e.g. the scaled coordinate (0.5,0.5,0.5) will then refer to the centre of the simulation box defined by the cell vectors given for instance by ABC.<br><br>Matthias<br><br>Am Sonntag, 25. Mai 2014 11:03:07 UTC+2 schrieb celio angel:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr"> Dear all user CP2K.I want the input <span lang="en"><span>the coordinates of the</span> <span>system</span></span> <span lang="en"> <span></span></span><span lang="en"><span><span lang="en"><span>depending</span> </span> of</span> <span>ABC</span> <span>and</span> <span>I do not know</span> <span>how</span><span>.</span></span><br><span lang="en"><span lang="en"><span>I do not know</span> <span>how to multiply</span> <span>the</span> <span>fraction</span> <span>and</span> <span>ABC</span> <span>settings</span></span> .  <span><br>    thank you <br></span></span></div></blockquote></div>