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<div dir="auto">Hi,</div>
<div dir="auto">Thank you for your reply. I tried the solution and it is now readable externally. However, my main goal is to get real space charge density and as I understand, QE is writing the charge density in reciprocal space (rhotot_g). Is there a way
to get the real space charge density? </div>
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<div dir="auto">I checked pp.x too with plotnum=7 (|psi|^2) which is exactly what I need. Are the charge density data in real space or reciprocal space?</div>
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<div dir="auto">Regards,<br>
Yuvam</div>
<div dir="auto">Politecnico Di Milano </div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> Paolo Giannozzi <paolo.giannozzi@uniud.it><br>
<b>Sent:</b> Sunday, April 6, 2025 5:59:26 PM<br>
<b>To:</b> Yuvam Bhateja <yuvam.bhateja@polimi.it><br>
<b>Cc:</b> Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br>
<b>Subject:</b> Re: [QE-users] importexport_binary.x executable missing in latest QE versions</font>
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<div class="PlainText">You have to compile QE with HDF5 support. You will need a not-so-old
<br>
version of the HDF5 library on your computer; see the user's guide. The <br>
charge density will be written to a portable HDF5 file, whose usage is <br>
widespread and well documented.<br>
<br>
Paolo<br>
<br>
On 06/04/2025 14:37, Yuvam Bhateja via users wrote:<br>
> Dear QE users,<br>
> I wish to use the charge density file externally, but I noticed that the <br>
> executable/ importexport_binary.x/, which converts the charge density <br>
> file written in binary to a more accessible XML format, is missing in <br>
> the latest versions of QE. I used v7.2 for my calculations. The i/ <br>
> mportexport_binary.x/ is available in older versions like v6.1 however, <br>
> charge density files generated by v7.2 are not readable by v6.1. Is <br>
> there any way to get a similar executable for data file export in v7.2 <br>
> and beyond?<br>
> <br>
> Yours sincerely,<br>
> Yuvam<br>
> <br>
> _______________________________________________________________________________<br>
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<br>
-- <br>
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216<br>
<br>
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