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.marra...@epfl.ch> 发送时间:2020-04-20 15:12:03 (星期一) 收件人: "zhangk...@mail.sysu.edu.cn" <zhangk...@mail.sysu.edu.cn> 抄送: "wannier@lists.quantum-espresso.org" <wannier@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, zhangk...@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 | | 本邮件及其附件含有发送给特定个人和用于特定目的的信息。如果您不是预期的收件人，请立即删除本邮件并通知发件人。严禁任何非预期的收件人使用、传播、分发或复制本邮件或其附件。 This email and its attachments may contain confidential information intended for a specific individual and purpose. If you are not the intended recipient, you should delete this email and notify the sender immediately. Any use, dissemination, distribution, or copying of this email or its attachments by persons other than the intended recipient(s), is strictly prohibited. | _______________________________________________ Wannier mailing list Wannier@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/wannier
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