[Wien] the effec of the volume optimization on the magnetic configuration

Fecher, Gerhard fecher at uni-mainz.de
Wed Mar 14 10:22:37 CET 2012


yes, indeed
and the experiment tells that this is right, pressure may change the magnetic state, of course in many cases it needs to be high
to change the Volume considerably. Check the literature what happens with the magnetic states under pressure.

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
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "sufyan [sufeer03 at gmail.com]
Gesendet: Mittwoch, 14. März 2012 09:41
An: A Mailing list for WIEN2k users
Betreff: [Wien] the effec of the volume optimization on the magnetic    configuration

Dear P.Blaha and Wien2k Users,
I have  a question: Does the volume optimization  have un effect on the magnetic configuration (ferromagnetis or antiferromagnetism) and  also the opposite of that  ?
thanks
sufyan naji


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