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
_______________________________________________
Wien mailing list
Wien@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

Reply via email to