[Pw_forum] How to use the wave functions

mohnish pandey mohnish.iitk at gmail.com
Thu Jun 30 07:53:41 CEST 2011

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?
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Mohnish Pandey
Senior Project Associate,
Department of Chemical Engineering,
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