What does it mean "we are able to predict them as spintronic" ?
There is nothing to predict a material as spintronic, 
maybe they are some ferromagnets, ferrimagnets, antiferromagnets, or 
otherspecial cases of magnetism
that you can predict.

If you like to predict something for ambient conditions that is room 
temperature and normal pressure
than you may use some extensions of Wien as for example Phonon and Gibbs 2 codes
and to check wether the Curie temperature is below or above room temperature.

Again if you like to know the elastic constants you should know whether or not 
your compound is in the ferromagnetic or the paramagnetic state
or even in some other magnetic state that might be a non collinear ferrimagnet 
or helical magnet.


DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
Von: wien-boun...@zeus.theochem.tuwien.ac.at 
[wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Murugan Sundareswari 
Gesendet: Donnerstag, 20. August 2015 06:28
An: A Mailing list for WIEN2k users; pbl...@theochem.tuwien.ac.at; Gavin Abo
Betreff: [Wien] elast for magnetic material + curie temp

We are working on predicted full Heusler compounds and for some of them...we 
are able to predict them as spintronic.

so far we have not calculated the curie temp..and also since it is predicted 
compound we are not able to find the experimental data so far.

Is it possible to calculate curie temperature with our code.

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?....

Looking Forward to your response,

Best Regards,
Wien mailing list

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