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
On Tue, Feb 10, 2015 at 6:50 AM, Florian Altvater <[email protected]> wrote: > 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 PS: If this information is outdated, I would be delighted to hear 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 > > > _______________________________________________ > Pw_forum mailing > [email protected]http://pwscf.org/mailman/listinfo/pw_forum > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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