[Pw_forum] Visualization of Results

[Osman Baris Malcioglu]

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
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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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