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

[zhangkan3 at mail.sysu.edu.cn]

Thank you Antimo, I didn't noticed this forum previously. This is really helped.

Kan Zhang




-----原始邮件-----
发件人:"Marrazzo Antimo" <antimo.marrazzo at epfl.ch>
发送时间:2020-04-20 15:12:03 (星期一)
收件人: "zhangkan3 at mail.sysu.edu.cn" <zhangkan3 at mail.sysu.edu.cn>
抄送: "wannier at lists.quantum-espresso.org" <wannier at lists.quantum-espresso.org>
主题: Re: [Wannier] How to raise G0W0 level to GW0 level in yambo

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 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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