[Wien] In put for Double perovskite

[tripurari sinha]

Dear all,
I am calculating the ground state property of double perovskite oxide Ba2FeMoO6 where Fe has valency 2+ and Mo has 6+ (a standard one). But if I want to do the calculation for the same system having valency of Fe as 3+ and Mo as 5+, what change I will  have to make in the input data or elsewhere to run the code in this fashion, please suggest
Thanks and Regards,T.P.Sinha 

From: Professor T. P. Sinha

Department of Physics

Bose Institute

93/1, Acharya Prafulla Chandra Road

Kolkata - 700009, India

Cell No. +91 9830159422
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