<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Dear Geng Sun,<div class=""><br class=""></div><div class="">the link method may not be the optimal choice for this material.</div><div class="">A scheme useful for SiO2 may be relevant for your case study.</div><div class="">Please, refer to : <a href="http://dx.doi.org/10.1063/1.2187485" class="">http://dx.doi.org/10.1063/1.2187485</a></div><div class=""><br class=""></div><div class="">Best,</div><div class="">Teo</div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 13 Jan 2016, at 09:29, Geng Sun <<a href="mailto:sungen...@gmail.com" class="">sungen...@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">Hello, everyone,<div class=""><br class=""></div><div class=""> are there any references about the link types of qmmm methods in CP2K.</div><div class=""><br class=""></div><div class=""> I want to carry out qmmm calculations for bulk ZrO2 and using an embeded model. </div><div class=""><br class=""></div><div class=""> only a part of the ZrO2 is described by QMMM, others by MM. I want to know whether the link method in cp2k could handle this problem.</div><div class=""><br class=""></div><div class="">Thanks</div><div class=""><br class=""></div><div class="">Geng Sun </div></div><div class=""><br class="webkit-block-placeholder"></div>
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