[Wien] Elast for magnetic material

[Fecher, Gerhard]

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