[Pw_forum] how to plot phonon phonon modes after calculation

Ngoc Linh Nguyen nnlinh at sissa.it
Wed Apr 7 09:51:26 CEST 2010


mohnish pandey wrote:
> Dear users ,
>                     I have followed the example 06 to calculate phonon 
> modes for ZnO. I have gone through the paper by Dr. Baroni on DFPT to 
> get insight of the calculations, but after getting all the dynamical 
> matrix files seperately for all the the q-points I am unable to plot 
> the phonon modes. Can anybody please tell me how to integrate all 
> those informations and plot it.(Is there any plotting module for 
> phonon modes especially?)
Normally, we can draw by Gnuplot or by Xmgrace with some tricks, such as 
by defining the finite q_points (Gamma, X ,... ) then presenting the 
intermediate q_points for 1 dimension (Ox), then you can draw 3 modes 
for each q_point (Oy1, Oy2, Oy3)

Anyway, if you want you some think more formal, you should find on 
"Google.com"

Linh


>
> Thanks alot in advance,
> Sincerely,
> MOHNISH
>
> -- 
> Mohnish Pandey
> Y6927262,4th Year dual degree student,
> Department of Chemical Engineering,
> IIT KANPUR
> 09235721300
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