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<div class="moz-cite-prefix">Dear Kanak,<br>
<br>
vdW-D is an empirical correction added to the energy of a DFT
calculation.<br>
If you are looking for the electronic contribution to the static
dielectric constant <br>
(\epsilon_\infty) there is no contribution to it coming from
vdW-D.<br>
So you can compute it by just switching off the vdW-D option.<br>
<br>
However, if ionic relaxation is to be included (\epsilon_0),
phonons are needed and vdW-D is<br>
currently not implemented.<br>
<br>
stefano<br>
<br>
On 29/08/2015 17:36, Kanak Datta wrote:<br>
</div>
<blockquote
cite="mid:CAPGf_QE6t7zca3Se_w4b2U9K3_r07oLEgHST8Om=3KkifGE6Zg@mail.gmail.com"
type="cite">
<div dir="ltr">Dear researchers
<div><br>
</div>
<div>I want to calculate the static dielectric constant for
multilayer MoS2. I have been using vdw corrected DFT method
for relaxation and scf calculations. However while using ph
package, I am getting the following message</div>
<div> " Error in routine phq_readin (1):</div>
<div> The phonon code with DFT-D is not yet available"</div>
<div>I am using version 5.1.2 for my calculations.</div>
<div><br>
</div>
<div>Is there a way that I can use ph package with vdw corrected
DFT method for static dielectric constant calculation? <br>
<div><br>
</div>
<div>Thanks in advance</div>
</div>
<div><br>
</div>
<div>Kanak, EEE, BUET</div>
</div>
<br>
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