<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div>OK, I agree it seems a reasonable approximation.</div><div><br></div><div>Another question:</div><div>In the rVV10 paper (PRB 87, 041108(R), 2013) the rVV10 XC expression says E_xc = E_x(rPW86) + E_c(LDA) + E_c(rVV10).</div><div>I thought it was supposed to be E_c(PBE) instead of E_c(LDA), which I'm sure is also the way it's coded in QE. Just want to make sure I get it right...</div><div><br></div><div>Best,</div><div>Jess Wellendorff</div><br><div><div>On Sep 18, 2013, at 10:52 AM, stefano de gironcoli wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite">
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<div class="moz-cite-prefix">no vdW-aware functional has given
explicit formulas for spin polarized densities. <br>
but vdW energy comes from correlation between distant charge
fluctuations so using the average density should not be too bad...
<br>
it's of course an approximation.<br>
stefano<br>
<br>
<br>
<br>
On 09/18/2013 07:25 PM, Wellendorff, Jess wrote:<br>
</div>
<blockquote cite="mid:F9F4DF3E-E4E4-4DDE-BF98-A26FF75AB93C@slac.stanford.edu" type="cite">All right, nice to hear.
<div><br>
</div>
<div>One more quick question:<br>
<div>From reading the rvv10 branch I gather that it also
introduces the possibility for spin-polarized evaluations of
the vdW-DF and rVV10 nonlocal correlation functionals by
considering the sum of the two spin densities, as in e.g. VASP
and GPAW. Is this so?</div>
<div><br>
</div>
<div>- Jess</div>
<div><br>
<div>
<div>On Sep 18, 2013, at 10:13 AM, stefano de gironcoli
wrote:</div>
<br class="Apple-interchange-newline">
<blockquote type="cite">
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<div class="moz-cite-prefix">implementation is
completed. merging should happens soon.<br>
stefano<br>
<br>
On 09/18/2013 07:09 PM, Wellendorff, Jess wrote:<br>
</div>
<blockquote cite="mid:2A4492D8-1A27-47D1-895B-3ED04C0DE144@slac.stanford.edu" type="cite">Dear developers,
<div><br>
</div>
<div>I would like to enquire about the status of the
rVV10 branch.</div>
<div>Is the implementation of rVV10 essentially done?</div>
<div>When should we expect the branch to be merged to
trunk?</div>
<div><br>
</div>
<div>Best</div>
<div>Jess Wellendorff</div>
<div>
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Postdoctoral Researcher<br>
SUNCAT Center for Interface Science &
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SLAC National Accelerator Laboratory, U.S.A.<br>
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