[QE-users] Bond population

Akhil g.nair akhilg.nair at yahoo.in
Tue Sep 19 07:59:51 CEST 2023


Dear Sir/Madam,
I want to study how the bond population (covalent vs. ionic ratio) and bond strength changes when we substitute an atom with another. As I am new to QE, I am not very aware of most of the modules available with it. Please let me know what is the procedure for this.
RegardsAkhilHBNI, India
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