<div dir="ltr">Hi, Zhendong<div><br></div><div>That's what I mean. Thanks!<br><br>On Friday, February 13, 2015 at 4:28:18 PM UTC-5, Zhendong Guo wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr"><div>Hi ,<br></div><div> I guess the meaning of jingyun's question is like that: For example, he wants to put a Cu2+ into his neutral system, two extra positive charges is needed. How to set parameters to make the extra charges located on the Cu atom rather than being shared by the whole system.<br></div><div>Best regards<br>zhendong<br></div><div> <br></div></div><div><br><div class="gmail_quote">On Fri, Feb 13, 2015 at 9:46 PM, Florian Schiffmann <span dir="ltr"><<a href="javascript:" target="_blank" gdf-obfuscated-mailto="0vIbz2nncdUJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">flos...@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Hi,<br><br>I guess you are doing DFT simulations. However I am not quite sure what you attempt without more information. The only thing I can imagine you acually want to do is to run the system with a broken symmetry guess which can be acchieved with the BS section in the kinds section. <br><br>Flo<br></div><div><div>

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</div></div></blockquote></div><br><br clear="all"><br>-- <br><div><div dir="ltr">Zhendong Guo <div><div>Phone: +41786943316</div><div>Email:  <a href="javascript:" target="_blank" gdf-obfuscated-mailto="0vIbz2nncdUJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">zhend...@gmail.com</a></div><div>            <a href="javascript:" target="_blank" gdf-obfuscated-mailto="0vIbz2nncdUJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">zhen...@epfl.ch</a>--------<wbr>------------------------------<wbr>------------------------------<wbr>-----------------------------</div></div></div></div>
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