[Wien] Bethe-Salpeter Equation

[Osama Yassin]

Dear Prof Blaha,

When using BSE for optical properties; is it also demanding and requires
large clusters?. How can you adapt a BSE code into Wien2k.. i.e linking the
an obtained "scf ground state calculations" to "BSE calculations"?.

Best regards..

O A Yassin

2010/12/1 Peter Blaha <pblaha at theochem.tuwien.ac.at>

> Dear WIEN2k users,
>
> BSE calculations, both for valence excitonic effects or for ELNES/XANES are
> quite demanding
> calculations. They require a large cluster with a fast mpi-interconnect
> (Infiniband).
>
> Furthermore, at present the code is not documented and not easy to use,
> because it requires
> the understanding of several details, both from the physics point of view
> as well as from the
> computational knowledge.
>
> For all those reasons, we do not intend to release the BSE code to
> everybody in the near future.
>
> However, if you have a good and physical sound problem, we may be
> interested in a collaboration
> and you can contact us directly (either pblaha at theochem.tuwien.ac.at or
> rolask at theochem.tuwien.ac.at)
> for further details.
>
> Best regards
> Peter Blaha
> Am 29.11.2010 10:33, schrieb ZhenChen:
> > Dear Prof. Peter Blaha and all users,
> > I have read the papers about using BSE to simulate ELNES augmented in
> Wien2k (Phys. Rev. B 79, 041102R (2009), J. Phys.: Condens. Matter 21,
> 104205 (2009). ). And I am eager to
> > know if it will be released in the next Wien2k version, or do you have
> any plan or time schedule to release the BSE modular?
> > Thank you in advance!
> > Best regards!
> > Zhen Chen
> > 陈震
> > ------------------------------
> > Beijing Laboratory of Electron Microscopy
> > Institute of Physics
> > Chinese Academy of Sciences
> > P. O. Box 603
> > Beijing 100190, China
> > Tel: 86-10-82648001
> > zchen at blem.ac.cn
> >
> >
> >
> > _______________________________________________
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> > Wien at zeus.theochem.tuwien.ac.at
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>
> --
>
>                                      P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW:
> http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
>
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-- 
Prof Dr Osama Ali Yassin
Professor of Solid State Physics and ICTP regular associate
Department of Physics, Faculty of Science
Taibah University
Almadeenah Almonawarh
K. of Saudi Arabia
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