[Wien] Elast for magnetic material

[Murugan Sundareswari]

Dear Dr.Gerhard H.Fecher,

Thank you for your immediate response.

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,
sundare

On Tue, Aug 18, 2015 at 1:32 PM, Fecher, Gerhard <fecher at uni-mainz.de>
wrote:

> Depends,
> do you lilke to calculate for above or below the Curie temperature ?
>
> Ciao
> Gerhard
>
> 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
> and
> Max Planck Institute for Chemical Physics of Solids
> 01187 Dresden
> ________________________________________
> Von: wien-bounces at zeus.theochem.tuwien.ac.at [
> wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Murugan
> Sundareswari [sundare65wien at gmail.com]
> Gesendet: Dienstag, 18. August 2015 09:18
> An: A Mailing list for WIEN2k users; pblaha at theochem.tuwien.ac.at; Gavin
> Abo
> Betreff: [Wien] Elast for magnetic material
>
> Dear All,
>
> i have a basic doubt in running the elast code for a  magnetic material.
>
> When we calculate the TE for a given material in non magnetic and magnetic
> state (spin polarised), we find the minimum TE only for magnetic state.
> Now if i want to calculate the elast and check for stability criteria
> whether i have to run the elast code for non-magnetic state or for magnetic
> state.
>
> If any of you have the related answers pl share your views and educate me.
>
>
> Regards,
> sundare
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150819/55f976db/attachment.html>