You have to compile QE with HDF5 support. You will need a not-so-old
version of the HDF5 library on your computer; see the user's guide. The
charge density will be written to a portable HDF5 file, whose usage is
widespread and well documented.
Paolo
On 06/04/2025 14:37, Yuvam Bhateja via users wrote:
Dear QE users,
I wish to use the charge density file externally, but I noticed that the
executable/ importexport_binary.x/, which converts the charge density
file written in binary to a more accessible XML format, is missing in
the latest versions of QE. I used v7.2 for my calculations. The i/
mportexport_binary.x/ is available in older versions like v6.1 however,
charge density files generated by v7.2 are not readable by v6.1. Is
there any way to get a similar executable for data file export in v7.2
and beyond?
Yours sincerely,
Yuvam
_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians
worldwide who are victims of terrorism, military aggression, and indiscriminate
warfare.
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians
worldwide who are victims of terrorism, military aggression, and indiscriminate
warfare.
--------------------------------------------------------------------------------
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
