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GW0 or G0W0 band gap

Posted: Sat Feb 15, 2025 3:34 am
by lyzhao
Dear all,
I want to confirm whether Yambo produces GW0 or G0W0 band gap.
The file name 'r-gw_qp...' means gw0, but in this file, it shows

Code: Select all

[09.01] G0W0 (W PPA)
  ====================


gw_qp.in and r-gw_qp.. files are attached.

Best regards.

Re: GW0 or G0W0 band gap

Posted: Sat Feb 15, 2025 10:33 am
by Daniele Varsano
Dear Youzhao,

the input file you posted is a G0W0 calculation. The command-line -gw0 is meant for one shot gw.
If you are interested in eigenvalue self-consistency, you can have a look at this example:
https://wiki.yambo-code.eu/wiki/index.p ... alues_only

Best,
Daniele