[Pw_forum] Phonon calculation using vdw-DF van der waals's correction

[Florian Altvater]

Dear Debnath,
as of last November no vdW corrections are implemented for DFPT phonon
calculations (ph.x) yet.
(http://qe-forge.org/pipermail/pw_forum/2014-November/105531.html)

You could revert to the FD scripts that are shipped with the 5.1
package. (Folder FD in PHonon)

Flo

PS: If this information is outdated, I would be delighted to hear
otherwise :)


Am 09.02.2015 um 21:41 schrieb Debnath Talukdar:
> Dear QE users
> 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.
>
> Can anyone please let me know whether phonon with van der Waals
> functional is implemented or not?
>
> With regards
> Debnath Talukdar
> IISER Pune
>
>
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