[Pw_forum] Phonon calculation of Silicene

[NEELESH GUPTA]

I mentioned in q2r calculation...

             fildyn = 'calc.dyn'
               zasr = 'crystal'
               flfrc = 'calc.fc'


Else, plz you suggest, where ' crystal coordinates for the points ' should
apply.



Thanks andregards
Neelesh Gupta




On Wed, Jan 24, 2018 at 1:22 PM, Lorenzo Paulatto <paulatz at gmail.com> wrote:

>
>
> On 24/01/18 08:05, NEELESH GUPTA wrote:
> > The results of phonon dispersion is not correct. I am unable to find the
> > the correct....
>
> it looks to me like your path of q-points is not correct. Probably you
> used crystal coordinates for the points but did not specify it in the
> input, or the other way round
>
> hth
>
> --
> Lorenzo Paulatto - Paris
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180124/6d4fd3fa/attachment.html>