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 <[email protected]> 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
> [email protected]
> http://pwscf.org/mailman/listinfo/pw_forum
>
_______________________________________________
Pw_forum mailing list
[email protected]
http://pwscf.org/mailman/listinfo/pw_forum
