[Pw_forum] Generate proton in Quantum Espresso

[Leong Jun Xing]

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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