Hello, I am trying to calculate the charge transfer form adatom to the monolayer MoS2. I tried with by taking difference between Lowdin charge, but it is not matching with literature. So I want to calculate charge transfer by Bader analysis. So please guide me how to perform it in Quantum Espresso.
Regards Mahendra Jalkhediya M.Tech Microelectronics & VLSI IIT Kanpur, India.
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