[Pw_forum] Generate proton in Quantum Espresso
Leong Jun Xing
junxingleong at hotmail.com
Thu May 14 09:06:46 CEST 2015
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.
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