[Pw_forum] Visualization of Results

[Vikas Varshney]

Dear Osman,
Thanks, for the Tcl script. I will try it out for sure.

Best Regards,
Vikas

On Wed, May 19, 2010 at 2:59 PM, Osman Baris Malcioglu <
baris.malcioglu at gmail.com> wrote:

> Dear Vikas,
>
> With a simple script you can extract the coordinates from the stdout and
> convert it to animated xyz format which VMD (and many other programs)
> support.
>
> Please find an example I have written for the espresso 3.2 below. Feel free
> to modify it if it is not working.
>
> Best,
> Baris
>
>
>
> On 19.May.2010, at 21:09, Vikas Varshney wrote:
>
> > Dear Developers,
> > I am a new user of QE and currently going through various examples (along
> with tutorials) to understand the software. I have few questions regarding
> how I can visualize some results.
> >
> > I have VMD installed on my machine but do not have XCrySDen. Is it
> possible to input the output files (.out format as outputted from the
> calculations) directly somehow to VMD to visualize molecular relaxation
> (like example03). Or do I need to install XCrySDen?
> >
> > I also tried to visualize the output of example02 (phonon spectra) using
> PP/pp.x but was totally unsuccessful. Any help will be highly appreciated
> >
> > Thanks in advance.
> >
> > Best Regards,
> > Vikas
> > _______________________________________________
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> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
>
>
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