[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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email: nnlinh at sissa.it
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