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 (Folder FD in PHonon) Flo PS: If this information is outdated, I would be delighted to hear otherwise :) Am 09.02.2015 um 21:41 schrieb Debnath Talukdar: 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 list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum
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