[Wien] Reg: How to change the Oxidation state of an element in a compound

pachineela rambabu rams.hcu at gmail.com
Tue Jul 17 06:05:49 CEST 2018


Dear Users,
                I am working on CaCdGe compound. I want to do the
calculation with Ca in 2+ and 3+ oxidation states. How to get 3+ from
Wien2k.

thanks,
-- 
*P. Rambabu*
PhD Scholor
Physics, IIT Hyderabad
Mobile: 9074508220.
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