<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Yes, it concerns the unit cell only and entails a uniformly distributed <div class="">compensation charge to neutralize the cell for the Ewald summation. </div><div class=""><br class=""></div><div class="">Best, </div><div class="">Thomas<br class=""><div class=""><div><br class=""><blockquote type="cite" class=""><div class="">Am 02.11.2020 um 17:36 schrieb Dev Rana <<a href="mailto:dev....@gmail.com" class="">dev....@gmail.com</a>>:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">How does CP2K handle CHARGE in Periodic boundary conditions?<br class=""><div class=""><br class=""></div><div class="">I would expect a case such as this to be an infinitely charged system, but would like to verify if this is true for CP2K or does it intelligently only apply it to the original unit cell?</div><div class=""><br class=""></div><div class="">Thank you!</div></div><div class=""><br class="webkit-block-placeholder"></div>
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