<div dir="ltr">Hello Yue Qiang,<div>According to me the distance between the two atoms has to be greater than 0.5 angstrom. Because i have encountered the waring like distance between two atoms is less than 0.5 angstrom. So from my point of view the system has to be arranged in such a manner that the distance between two atoms be greater than 0.5 angstrom.</div><div><br></div><div>Mitanshu Vahiya</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, 25 Sept 2023 at 12:44, Moon Yue <<a href="mailto:yuegrit@gmail.com" target="_blank">yuegrit@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">hello, everyone.<div>I'm confused with the question of supercell size.</div><div>As you know, supercell of small size will make the result incorrect in CP2K.</div><div>So how to decide the "smallest size" ? </div><div>Is there any judgment criteria?</div><div><br></div><div>Yue Qiang</div>

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