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 > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100519/329e8091/attachment.htm
