[Wien] exchange coupling constants calculations

[Guillaume Radtke]

Dear Vincent,

We also employed the method described by Xavier Rocquefelte based on the use of a large 
number of broken symmetry configurations + least-square fit to get magnetic couplings
up to the fourth nearest neighbors in a vanadate (CsV2O5). You can find the details
of the methodology in : Phys. Rev. Lett. 106 (2011) 177203. 

Regards,
Guillaume.



Le 17 mai 2011 à 21:02, Linux PC a écrit :

> Dear Dr. Blaha and Wien2k users,
> 
> Is it possible to use the Wien2k to calculate j magnetic exchange coupling constants?
> 
> Thank you very much,
> Vincent
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Dr Guillaume Radtke
IM2NP - UMR 6242 CNRS
Université Paul Cézanne Aix Marseille III
Tel : 04 91 28 90 12
Fax : 04 91 28 27 93
New Email : guillaume.radtke at im2np.fr



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