[Wien] Stoner Parameter from calculation done by wien2k

[shamik chakrabarti]

Dear Dr. Gerhard Fecher Sir,

                  Thank you for your reply.

On Sat, Jul 9, 2011 at 11:35 AM, Gerhard Fecher <fecher at uni-mainz.de> wrote:

> Depends what you mean with "find"?
> (1) No:    You will not find the Stoner parameter in one of the output
> files.
> (2) YES:   You may write some own subroutine to calculate the Stoner
> parameter from a Wien calculation.
> Some methods to calculate it are given in the textbook:
> J. Kübler, Theory of itinerant electron magnetism, Oxford Science
> Publications
> (should be available as paperback).
>
>
> 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]&quot; im Auftrag von &quot;shamik
> chakrabarti [shamikphy at gmail.com]
> Gesendet: Freitag, 8. Juli 2011 17:08
> Bis: A Mailing list for WIEN2k users
> Betreff: [Wien] Stoner Parameter from calculation done by wien2k
>
> Dear wien2k users,
>
>         Whether a system favors magnetism or not, can be decided by
> comparing the total energy of the unit cell for nonmagnetic and spin
> polarize calculation. But if we do a nonmagnetic calculation of a system
> which actually favors magnetism and then see the DOS at Fermi energy for
> that system then also from stoner criteria we can conclude whether the
> system favors magnetism or not. Our problem is not to find whether a system
> will favor magnetism or not rather we want to extract Stoner Parameter (I)
> from our calculation. It will be helpful for us for different reasons. Now
> our query is
>
> Is it possible to find Stoner Parameter from calculation done by
> wien2k?....If yes then how?
>
> Any response in this regard will be very helpful for us.
>
> with regards,
>
> --
> Shamik Chakrabarti
> Research Scholar
> Dept. of Physics & Meteorology
> Material Processing & Solid State Ionics Lab
> IIT Kharagpur
> Kharagpur 721302
> INDIA
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>



-- 
Shamik Chakrabarti
Research Scholar
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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