<div dir="ltr"><div dir="ltr">Should be like this:</div><div dir="ltr"> Version=2 is the original Grimme-D2 parametrization<br> Version=3 is Grimme-D3 (zero damping) <br> Version=4 is Grimme-D3 (BJ damping) <br> Version=5 is Grimme-D3M (zero damping) <br> Version=6 is Grimme-D3M (BJ damping)<br></div><div>Paolo<br></div></div><br><div class="gmail_quote"><div dir="ltr">On Thu, Nov 8, 2018 at 1:35 PM Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com">p.giannozzi@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>At a quick glance, dftd3_version=6 should do the job. No warranty.</div><div>Paolo<br></div></div><br><div class="gmail_quote"><div dir="ltr">On Tue, Nov 6, 2018 at 2:52 PM LEUNG Clarence <<a href="mailto:liangxy123@hotmail.com" target="_blank">liangxy123@hotmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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Dear Paolo,</div>
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Can the BJ-damping be used in QE6.3? if yes, what is the command in the input file?</div>
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LIANG Xiongyi</div>
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<div id="m_-2063762530509173522m_2267148355527221423divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>发件人:</b> users <<a href="mailto:users-bounces@lists.quantum-espresso.org" target="_blank">users-bounces@lists.quantum-espresso.org</a>> 代表 Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>><br>
<b>发送时间:</b> 2018年11月6日 21:44<br>
<b>收件人:</b> Quantum Espresso users Forum<br>
<b>主题:</b> Re: [QE-users] DFT-D3 in QE6.3</font>
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<div>Please see file README in the dft-d3/ subdirectory. </div>
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<div dir="auto">Paolo<br>
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<div dir="ltr">Il mar 6 nov 2018 14:01 LEUNG Clarence <<a href="mailto:liangxy123@hotmail.com" target="_blank">liangxy123@hotmail.com</a>> ha scritto:<br>
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Dear UE users,</div>
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Could you please tell me the reference of DFT-D3 in QE6.3?</div>
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Thanks.</div>
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LIANG Xiongyi</div>
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PhD candidate</div>
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CItyu</div>
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<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="m_-2063762530509173522gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div>
</blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div>