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