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sla: Slater LDA exchange<br>
pw: PerdewWang LDA correlation<br>
rpw86: rPW86 exchange<br>
pbc: PBE correlation<br>
vv10: VV10 nonlocal correlation<br>
<br>
so GGA correlation is included by "pbc".<br>
<br>
Cheers,<br>
Jess Wellendorff<br>
<br>
<div class="moz-cite-prefix">On 10/17/2017 03:11 PM, Azadi, Sam
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:B53A8DC3-630F-4765-ADDB-A9A6C8775519@ic.ac.uk">
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<div class="" style="word-wrap:break-word">Dear QE community,
<div class=""><br class="">
</div>
<div class="">According to page two last paragraph of second
column of: </div>
<div class=""><br class="">
</div>
<div class="">
<div class=""> R. Sabatini, T. Gorni, and S. de Gironcoli,
Phys. Rev. B 87, 041108(R) (2013).</div>
</div>
<div class=""><br class="">
</div>
<div class="">the full vdW-rVV10 XC functional is defined as: </div>
</div>
<div class="" style="word-wrap:break-word">
<div class=""><br class="">
</div>
<div class="">whereas according to line 128 Modules/funct.f90 of
QE6.1 : <span class="" style="color:rgb(238,246,226);
font-family:Menlo; font-size:11px">"rvv10" =
"sla+pw+rw86+pbc+vv10"
</span><span class="" style="color:rgb(238,246,226);
font-family:Menlo; font-size:11px">
</span><span class="" style="color:rgb(238,246,226);
font-family:Menlo; font-size:11px">= rVV10</span></div>
<div class=""><br class="">
</div>
<div class="">is there any gradient correction on correlation
(pbc) in vdW-rVV10?</div>
<div class=""><br class="">
</div>
<div class="">Thanks, </div>
<div class="">Sam Azadi</div>
<div class="">-----</div>
<div class="">Imperial College London </div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
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<pre wrap="">_______________________________________________
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</blockquote>
<br>
<pre class="moz-signature" cols="72">--
Jess Wellendorff
Senior Applications Engineer
Synopsys QuantumWise
Copenhagen, Denmark
Tel: +45 69901888
Email: <a class="moz-txt-link-abbreviated" href="mailto:jess.wellendorff@synopsys.com">jess.wellendorff@synopsys.com</a>
Skype: jesswellendorff
LinkedIn: <a class="moz-txt-link-abbreviated" href="http://www.linkedin.com/in/jess-wellendorff-4ba3867">www.linkedin.com/in/jess-wellendorff-4ba3867</a>
--</pre>
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