[Pw_forum] regarding to calculate oxidation state

Raj kamal rajkamalloyola at gmail.com
Wed Sep 30 18:48:35 CEST 2015


dear QE experts
        i am working on Lithium ion batteries. In this  i need to calculate
oxidation state of particular atoms Mn in such as LiMn2O4 materials. please
guide me how to calculate oxidation state for particular material in QE and
tags which i need to use.thanks in advance.


-- 
*Best regards,*
*Rajkamal.A.*
*Research Scholar,(SRM UNIV).*
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