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..<br><br><div class="gmail_quote">
On Thu, Jun 30, 2011 at 4:41 AM, yaohua tan <span dir="ltr"><<a href="mailto:tyhua02@gmail.com">tyhua02@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
How to use the wave functions generated by Quantum espresso?<div><div>when I set the option in the &control</div><div>wf_collect = .true.</div></div><div>QE generate the wave functions in the output dir. </div><div>Can anyone tell me how to read and use the data file in prefix.save?</div>
<div>It seems that they are binary files containing both text and data. </div><div>Is there any easy way to get the data from those files?</div><div><br></div>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Regards,<br>MOHNISH,<br>-----------------------------------------------------------------<br>Mohnish Pandey<br>Senior Project Associate,<br>Department of Chemical Engineering,<br>
IIT KANPUR, UP, INDIA<br>-----------------------------------------------------------------<br>