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the vdW energy depends on the local polarizability of the electron
gas ..<br>
does it depend on the spin density ? I would say so.<br>
Is it taken into account in the current definition of vdw-DF ? I
would say no...<br>
how is it implemented in GPAW ? just blindly or with some argument ?<br>
stefano <br>
<br>
On 04/27/2011 06:35 AM, WANG Wei wrote:
<blockquote
cite="mid:BANLkTine4_GTeSpziWgMUgJHxpn+ZFakcA@mail.gmail.com"
type="cite">
<pre wrap="">Thank you for your advice, Deu. Yes, the non-local energy is independent the
spin density.
On 27 April 2011 12:34, Duy Le <a class="moz-txt-link-rfc2396E" href="mailto:ttduyle@gmail.com"><ttduyle@gmail.com></a> wrote:
</pre>
<blockquote type="cite">
<pre wrap="">--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.
"Men don't need hand to do things"
On Tue, Apr 26, 2011 at 1:00 PM, Stefano de Gironcoli <a class="moz-txt-link-rfc2396E" href="mailto:degironc@sissa.it"><degironc@sissa.it></a>
wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Dear WANG Wei
the vdw-DF functional form is not defined for spin polarized system...
</pre>
</blockquote>
<pre wrap="">Or it does mean that non-local energy is not spin-dependent but
charge-density-dependent only.
</pre>
<blockquote type="cite">
<pre wrap=""> if you define, implement and test it, you could even get a nice
publication out of it. thank you.
</pre>
</blockquote>
<pre wrap="">The spin-polarized vdW-DF has been implemented in GPAW.
</pre>
<blockquote type="cite">
<pre wrap="">stefano
</pre>
</blockquote>
<pre wrap="">
</pre>
</blockquote>
<pre wrap="">
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