[Wien] ODP: Re: Susceptibility (Lindhard Function)

[Peter Blaha]

Yes, this would be a nice "add-on" to WIEN2k.

Paweł Starowicz schrieb:
> As far as I know, the procedure written by C. Ambrosch-Draxl does not calculate exactly the Lindhard function but an imaginary part of the static susceptibility. To check what a difference is, you can see for example arXiv:cond-mat/0510390.
> I would be also interested in such calculations but we probably have to write the procedure ourselves.
> 
> Regards
> 
> Pawel
> 
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> Pawel Starowicz
> Institute of Physics, Jagiellonian University
> Reymonta 4
> 30-059 Krakow, Poland
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> e-mail: pawel.starowicz at uj.edu.pl
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> 
> ----- Wiadomość oryginalna -----
> Od: Gerhard Fecher <fecher at uni-mainz.de>
> Data: Sobota, Styczeń 24, 2009 1:32 pm
> Temat: Re: [Wien] Susceptibility (Lindhard Function)
> Do: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> 
> 
>> Check the work of Claudia Ambrosch-Traxl
>>  I remember that I have seen something in her work.
>>  
>>  Ciao
>>  Gerhard
>>  
>>  ====================================
>>  Dr. Gerhard H. Fecher
>>  Institut of Inorganic and Analytical Chemistry
>>  Johannes Gutenberg - University
>>  55099 Mainz
>>  ________________________________________
>>  Von: wien-bounces at zeus.theochem.tuwien.ac.at 
>> [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von D.A. Tompsett 
>> [dat36 at cam.ac.uk]
>>  Gesendet: Freitag, 23. Januar 2009 10:53
>>  An: A Mailing list for WIEN2k users
>>  Betreff: Re: [Wien] Susceptibility (Lindhard Function)
>>  
>>  Dear Hossein and All,
>>                      thank you for the suggestion, but from the
>>  documentation I don't think that BotzTrap can calculate the q-dependent
>>  susceptibility ie. the dependence of the susceptibility on the ordering
>>  vector. This is what I need to do. Any other suggestions would be very
>>  welcome.
>>  
>>  Thank you,
>>  David Tompsett.
>>  
>>  On Jan 22 2009, hossien rahnama wrote:
>>  
>>  > Dear David, I think, Boltztrap software is  suitable for 
>> calculating of
>>  > susceptibility from band structure calculations. With best wishes,Hossein
>>  >
>>  >Hossein Asghar Rahnamaye Aliabad(PH.D Student)
>>  >Electroceramic and Material Laboratory
>>  >Department of Physics,Faculty of Science
>>  >Ferdowsi University of Mashhad, Iran
>>  >Phone: +98 511 8644047
>>  >Web: www.um.ac.ir
>>  >Email: ho_ra71 at stu-mail.um.ac.ir, h_rahnamay at yahoo.com
>>  >
>>  >
>>  >
>>  
>>  --
>>  David A. Tompsett
>>  Quantum Matter Group
>>  Cavendish Laboratory
>>  J. J. Thomson Avenue
>>  Cambridge CB3 0HE
>>  U.K.
>>  Tel: +44 7907 566351 (mobile)
>>  Fax: +44 1223 337351
>>  http://www-qm.phy.cam.ac.uk/
>>  
>>  
>>  
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-- 

                                       P.Blaha
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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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