[Pw_forum] Net charge
barnalidgbhatt at gmail.com
Thu Sep 8 04:57:10 CEST 2016
I am a Quantum espresso user and trying to calculate net charge of
individual atom of bilayer graphene system. I calculated the Bader charges
of indivitual atom as well as Lowdin charge.
Could you please guide me to get the net charge of individual atom? Any
help will be thankfully acknowledged.
I am waiting for any suggestion.
Ph.D student, Department of Physics
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