[Pw_forum] Doubt in Curie temperature value

[Paolo Giannozzi]

On Tue, 2011-03-22 at 04:57 +0000, Padmaja Patnaik wrote:
> 
> I am calculating the Curie Temperature for Iron. 
> The experimental value for this is  1043 K. 
> I am getting the value as 2398.97 K. [...]
>  On the other hand I am getting very low value for Ni,
>  whose experimental Curie temperature is 627K and I am getting 315K.

you didn't even specify which functional you used. One can get 
completely wrong results for magnetism in DFT, and you complain
for a factor 2?

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy