<div dir="ltr"><div>Teo,</div><div><br></div><div>Thanks,  that's very helpful.</div><div><br></div><div>Geng</div><div><br></div><div><br>在 2016年1月13日星期三 UTC+8下午5:57:35，Teo写道：<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div style="word-wrap:break-word">Dear Geng Sun,<div><br></div><div>the link method may not be the optimal choice for this material.</div><div>A scheme useful for SiO2 may be relevant for your case study.</div><div>Please, refer to : <a href="http://dx.doi.org/10.1063/1.2187485" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fdx.doi.org%2F10.1063%2F1.2187485\46sa\75D\46sntz\0751\46usg\75AFQjCNF_ETxX6JCJD5OqUMxbN_zLrZIM1g';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fdx.doi.org%2F10.1063%2F1.2187485\46sa\75D\46sntz\0751\46usg\75AFQjCNF_ETxX6JCJD5OqUMxbN_zLrZIM1g';return true;">http://dx.doi.org/10.1063/1.<wbr>2187485</a></div><div><br></div><div>Best,</div><div>Teo</div><div><br><div><blockquote type="cite"><div>On 13 Jan 2016, at 09:29, Geng Sun <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="1WI693ZMEAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">sung...@gmail.com</a>> wrote:</div><br><div><div dir="ltr">Hello, everyone,<div><br></div><div>    are there any references about the link types of qmmm methods in CP2K.</div><div><br></div><div>    I want to carry out qmmm calculations for  bulk ZrO2 and using an embeded model. </div><div><br></div><div>    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><br></div><div>Thanks</div><div><br></div><div>Geng Sun  </div></div><div><br></div>

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