Is there any free software available or research group working in this area to share their knowledge?
What are you trying to calculate? Structures, properties, or just energies? Either way Quantum Espresso is an example of a free to use package, and has a good forum for support.
Dear Vinod,
It is dependent on which physical or chemical properties that you want to calculate.
As reza said PWSCF (Quantum Espresso) is a free suitable code for calculating electronic, elastic and magnetic properties of materials.
I am not massively experienced with DFT, but have used CASTEP before which I believe is free for academic institutions. But as others have said, it depends on what you want to calculate.
Thank you @ christopher , jaafar and Robert for your response, I want to know the change in the electronic structure on doping with univalent cation in ZnO
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