[QE-users] Output of wfck2r.x

Andrew Xu andrewaccount at gmail.com
Fri Sep 18 08:52:08 CEST 2020


Dear users,

What format is the *prefix.wfc_r1 file (the output of wfck2r.x) given in?
In the inputpp file, I set the prefix and outdir.

I know it encodes KS orbitals in real-space, but it's not human-readable.
If I know what format it is, I can look for/write a little script to turn
it into a human-readable file (with numbers in base 10, for example).

Alternatively, is there some program/option to turn it into a file with
numbers in base 10?

This has been posted on the forum twice before (
https://lists.quantum-espresso.org/pipermail/users/2018-October/041473.html,
https://lists.quantum-espresso.org/pipermail/users/2018-September/041366.html),
but these questions have had no response.

Thank you!

Best regards,
Andy
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