<div dir="ltr"><div><div><div>Dear Emine and others,<br><br></div>I have downloaded the development branch "espresso-ph" to test the phonon calculations with vdW. Are there any special flags in the phonon input files which we need to use? Also it seems that "rev-vdW-DF2" is not available......the only available ones are vdW-DF1 and vdW-DF2 and vdW-vv10. Am I right?<br><br></div>With regards,<br><br></div>Prasenjit<br></div><div class="gmail_extra"><br><div class="gmail_quote">On 10 February 2015 at 15:55, Emine Kucukbenli <span dir="ltr"><<a href="mailto:kucukben@gmail.com" target="_blank">kucukben@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div>Hi all, I see in svn history that the development branch "espresso-ph" was created to implement exactly that and as far as i can see it is in working condition. I dont know how much it is aligned with the latest svn trunk (last branch update is on revision 9294) but you could give it a try and let us know how it works.cheers.emine<br></div></div></div><div class="HOEnZb"><div class="h5"><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Feb 10, 2015 at 6:50 AM, Florian Altvater <span dir="ltr"><<a href="mailto:altvater@berkeley.edu" target="_blank">altvater@berkeley.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF">
Dear Debnath,<br>
as of last November no vdW corrections are implemented for DFPT
phonon calculations (ph.x) yet.<br>
(<a href="http://qe-forge.org/pipermail/pw_forum/2014-November/105531.html" target="_blank">http://qe-forge.org/pipermail/pw_forum/2014-November/105531.html</a>)<br>
<br>
You could revert to the FD scripts that are shipped with the 5.1
package. (Folder FD in PHonon)<br>
<br>
Flo<br>
<br>
PS: If this information is outdated, I would be delighted to hear
otherwise :)<br>
<br>
<br>
<div>Am 09.02.2015 um 21:41 schrieb Debnath
Talukdar:<br>
</div>
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<div>Dear QE users<br>
</div>
Currently I am doing phonon calculation of bilayer
germanene using espresso-5.1 phonon package. When I am
use van der waals's effect through exchange-correlation
functional(using flag:input_dft='vdW-DF') all phonon
mode have imaginary frequencies. <br>
<br>
</div>
Can anyone please let me know whether phonon with van der
Waals functional is implemented or not?<br>
<br>
</div>
With regards<br>
</div>
Debnath Talukdar<br>
</div>
IISER Pune<br>
</div>
<br>
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