What type of data you want? If you want to get the charge density then you can use post-processing tools to extract the charge density from prefix.save folder written in chargedensity.dat file..
On Thu, Jun 30, 2011 at 4:41 AM, yaohua tan <tyhua02 at gmail.com> wrote: > How to use the wave functions generated by Quantum espresso? > when I set the option in the &control > wf_collect = .true. > QE generate the wave functions in the output dir. > Can anyone tell me how to read and use the data file in prefix.save? > It seems that they are binary files containing both text and data. > Is there any easy way to get the data from those files? > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Regards, MOHNISH, ----------------------------------------------------------------- Mohnish Pandey Senior Project Associate, Department of Chemical Engineering, IIT KANPUR, UP, INDIA ----------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110630/e72833e9/attachment.htm