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Is there examples about band structure?
Posted: Tue Jul 28, 2009 2:11 pm
by nkxirainbow
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).
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
Re: Is there examples about band structure?
Posted: Wed Jul 29, 2009 10:14 am
by myrta gruning
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
Re: Is there examples about band structure?
Posted: Wed Jul 29, 2009 1:04 pm
by nkxirainbow
Dear Dr Myrta GrĂ¼ning:
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
