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OK, that is precisely true. Are there any plans to implement it or
does it mean "you need it, the do it"?<br>
Actually I am using VASP with D3, but I am stuck and would like to
switch to QE. So I would need it for a migration.<br>
<br>
<br>
<div class="moz-cite-prefix">Am 02.06.2015 um 15:22 schrieb Paolo
Giannozzi:<br>
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cite="mid:CAPMgbCvinNmz3qXv6cCCVEOrkzo6F0NDRXm+iSOqO8r5CFzJ+Q@mail.gmail.com"
type="cite">
<div dir="ltr">On Fri, May 29, 2015 at 6:10 PM, Adrian Hühn <span
dir="ltr"><<a moz-do-not-send="true"
href="mailto:adrian.huehn@uni-bonn.de" target="_blank">adrian.huehn@uni-bonn.de</a>></span>
wrote:"<br>
<div class="gmail_extra">
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.8ex;border-left:1px #ccc solid;padding-left:1ex">
I was told that the D3 correction would be easy to
implement for<br>
somebody who knows the code.<br>
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<div> </div>
it is needed to know "the code": it is sufficient to know a
few variables describing atoms, atomic positions, lattice
parameters, and to have a vague idea of how parallelization
works<br>
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<div><br>
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<div>Paolo<br>
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<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
There is also some reference implementation (GPL) of the
Grimme group<br>
itself (it was used by Daniel Forrer and Michele Pavone to
code the<br>
DFT-D2 before).<br>
<a moz-do-not-send="true"
href="http://www.thch.uni-bonn.de/tc/index.php?section=downloads&subsection=getd3&lang=english"
target="_blank">http://www.thch.uni-bonn.de/tc/index.php?section=downloads&subsection=getd3&lang=english</a><br>
<br>
Regards,<br>
Adrian Hühn<br>
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