[Wien] Susceptibility (Lindhard Function)

[hossien rahnama]

Dear David,
I have a suggestion, by xcrysden software, you able to calculate band structure for a defined direction (for example: Gamma-X, Gamma-H,…). By using  spaghetti.output   you can be obtained two order gradient of graph (energy respect to q-direction) therefore effective mass of electrons and holes in defined direction. If you have relationship between effective mass and susceptibility, you obtain the q-dependent susceptibility.
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

--- On Fri, 1/23/09, D.A. Tompsett <dat36 at cam.ac.uk> wrote:

From: D.A. Tompsett <dat36 at cam.ac.uk>
Subject: Re: [Wien] Susceptibility (Lindhard Function)
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Date: Friday, January 23, 2009, 1:23 PM

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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