To whom it may concern
My name is Leong. Currently I am using Quantum Espresso to calculate proton
diffusion through graphene.
1. I would like to know how to generate a proton in the scf input file?
2. Besides, if there is a proton in the system (with positive 1 charge), is
that it is compulsory to create jellium background to neutral the system since
the system is periodic?
Wish to receive your reply soon.
Thank you.
Best regards
Leong
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