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Re: Exciton analysis

Posted: Thu Jul 31, 2025 10:03 am
by Daniele Varsano
Dear Reza,
Applying G₀W₀ slightly increases the gap.

However, when I move toward self-consistency (scGW), the gap closes again, and the system becomes effectively metallic.
This is indeed counterintuitive, I suggest you to carefully check the eigenvalue SC procedure. You can find here a tutorial on that:
https://wiki.yambo-code.eu/wiki/index.p ... alues_only

Kind regards,

Daniele