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
