Is there examples about band structure?

Run-time issues concerning Yambo that are not covered in the above forums.

Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan

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nkxirainbow
Posts: 11
Joined: Wed Jul 22, 2009 6:12 am

Is there examples about band structure?

Post by nkxirainbow » Tue Jul 28, 2009 2:11 pm

Dear developers:
I am a new learner of yambo. ;)
I find some examples about TDDFT(0D_H2 1D_Si_wire 2D_Si_surface 3D_LiF). 8-)
I want to perform band structure calculation based on GW, but I failed to get example in homepage of Yambo. :(
Is there examples about band structure calculation with GW? :?:

Thank you very much;P
Hui Wang
Nankai Universty, China
nkxirainbow@gmail.com

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myrta gruning
Posts: 240
Joined: Tue Mar 17, 2009 11:38 am
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Re: Is there examples about band structure?

Post by myrta gruning » Wed Jul 29, 2009 10:14 am

Dear Hui Wang

thank you for using Yambo.
Is there examples about band structure calculation with GW? :?:
For the GW part, there is (still) no such a document as for the TDDFT part.
You can refer to the general documentation about the plasmon-pole GW runlevel (invoked with yambo -p p -g n) to the relative online documentation and of course to the yambo paper. You can also download the auxiliary material relative to a converged GW/BSE calculation on bulk Si.

You may as well find some interesting posts on this forum, e.g. this and this, and in general under "running yambo=> self energy".

I hope this can help you,

m
Dr Myrta Grüning
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland

http://www.researcherid.com/rid/B-1515-2009

nkxirainbow
Posts: 11
Joined: Wed Jul 22, 2009 6:12 am

Re: Is there examples about band structure?

Post by nkxirainbow » Wed Jul 29, 2009 1:04 pm

Dear Dr Myrta Grüning:
Thank you very much for you instruction :)
I will follow you suggestion to get promote my calculaiton.

By the way, at the end of References [37] in the paper "yambo: An ab initio tool for excited state calculations", the wedsite[http://www.yambo-code.org/publications.html] is given.
However, I think the corect website should be [http://www.yambo-code.org/publications.php]

Once again, thank you for :D
Hui Wang
Nankai Universty, China
nkxirainbow@gmail.com

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