[Wien] Reg: How to find the Stoner parameter in stoner criteria?

[Gavin Abo]

Maybe, you will find the following references helpful.

As far as I know, Wien2k still does not output the Stoner parameter 
[http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg04711.html].

There are at least two different methods to calculate the Stoner 
parameter [http://theory.mse.cornell.edu/Magnetism.pdf (slide 9)].

1) For the first method, the Stoner parameter is estimated from the equation

I = delta_ex/m

where delta_ex is the exchange splitting and m is the total magnetic 
moment per atom [Dissertation titled "Theory of Adsorption, Diffusion 
and Spinpolarization of Mn on Si(001) and Si(111) Substrates" at 
http://www.diss.fu-berlin.de/diss/servlets/MCRFileNodeServlet/FUDISS_derivate_000000002402/ 
(Chapter 3, page 43)].

2)  For the second method, fixed spin moment (FSM) calculations are 
performed 
[http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg04699.html].

The obtained E versus m data is fitted to a polynomial equation to 
extract I [http://dx.doi.org/10.1103/PhysRevB.74.014416 (page 3), 
http://www.wien2k.at/reg_user/mailing_list/wien-digest.archive/summary_2002_II 
(search keyword "stoner" for the post by Mazin)].

On 4/1/2014 8:39 AM, Peram sreenivasa reddy wrote:
> Dear WIEN2k,
>
> Stoner criteria is IN(EF)>/= 1.
>
> In this N(EF) is density of states value at the Fermi level and I is 
> the Stoner parameter.
>
> I want to know how to calculate this Stoner parameter from first 
> principles calculations.
>
> Thank you in advance.