20.08.2015 07:28, Murugan Sundareswari пишет:
Is it possible to calculate curie temperature with our code.
I am not in the know of Curie temperature

we are calculating the elastic constants at ambient condition for the
above mentioned ferromagnetic materials....and still i have the doubt of
using the structure file of magnetic or non-magnetic to do so?....

Making a calculational model that correctly simulate concrete samples and their experimental data is the most important thing, it cannot be done without knowing all tiny details of the task, and it takes, imho, 80 % of time to work out it. After this, one can quickly calculate properties, this is a routine work. So, nobody can answer you. We can only give you some small hints, for example: > On Tue, Aug 18, 2015 at 1:32 PM, Fecher, Gerhard <fec...@uni-mainz.de wrote: > Depends, do you like to calculate for above or below the Curie temperature ?

Best wishes
  Lyudmila Dobysheva
Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
426001 Izhevsk, ul.Kirova 132I am not in the know of Curie temperature
Tel.:7(3412) 432045(office), 722529(Fax)
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