[QE-users] Bond population calculation

[Akhil g.nair]

Dear QE community,
I am writing to seek guidance on calculating the "mean bond population" using Quantum Espresso tools. I have come across a paper (https://doi.org/10.1016/j.ceramint.2022.06.028) where the authors performed a similar calculation using CASTEP, but I am interested in replicating it using Quantum Espresso.

I would appreciate it if anyone could provide assistance or share relevant information regarding this calculation.
Thank you for your time and consideration.
Best regards,
Akhil NairResearch scholar,HBNI, INDIA
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