[Wien] restricting magnetic moment of individual atom‏

محمد ارشد فرحان arshadfarhan at gmail.com
Wed Mar 4 05:19:47 CET 2015


Dear Wien2k Developers and user,
hi,

I'm studying charge transfer mechanisms within LaCaMnO3 which has a mixture
of Mn+3 and Mn+4 oxidation state.

it is AFM with 4 Mn atoms in unit cell.

I want to fix magnetic moments of Mn atoms individually (i.e., different
magnetic moments for different Mn atoms)
any or all guidance will be appreciated.

Thanks,
Arshad


-- 

*M. Arshad Farhan*EMMG, Physics Division,
PINSTECH, Islamabad
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