[Wannier] How to raise G0W0 level to GW0 level in yambo

[Marrazzo Antimo]

Dear Kan,

Yambo supports eigenvalue-only self-consistent calculations, as it has already been discussed on the yambo forum, e.g. here:

http://www.yambo-code.org/forum/viewtopic.php?t=1387

For technical support on self-consistent GW I encourage you to use the Yambo forum.
As Wannier90 is concerned, only G0W0 calculations have been interfaced and tested, although an eigenvalue-only self-consistent GW calculation should potentially be used in input as well.
In any case, to use the yambo-wannier90 interface the eigenfunctions should always be equal to KS DFT eigenfunctions, modulo permutations of their ordering in energy.
HTH.

A.

Antimo Marrazzo
EPFL STI IMX THEOS
ME-D2 1326 (Bâtiment ME)
Station 9
CH-1015 Lausanne (Switzerland)

Il giorno 16 apr 2020, alle ore 11:22, zhangkan3 at mail.sysu.edu.cn<mailto:zhangkan3 at mail.sysu.edu.cn> ha scritto:


Dear experts,

I am still doing GW calculation for band structure by following the example 23 in tutorials. Considering my system, I wonder that if there are any set to change to GWO level when calculating the QP energies in yambo? I read a little on yambo-code wiki, but get no idea on it.

Sincerely,

Kan Zhang


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