[Pw_forum] charged systems at a special electrode potential

[Alex Granov]

Hi
We are studying an electro-chemical reaction on a periodic surface and as it was proposed by the manual we added charge to the system using "tot_charge" and corrected the total energy using "assume_isolated" methods. The total energy correction method was explained by Nicola Marzari (PRB 77, 115139 (2008)). But we couldn't find any way to apply the electrochemical potential that we need to study the reaction at such condition using Quantum Espresso. In other words we are studying the reactions like A + H[+] + e -> AH and we couldn't apply any potential to the electron in the reaction say at 1.23 Volt. We appreciate any comment on this problem in advance.
Sincerely Yours, Alex
-------------------------------------------------Alex GranovМосковский физико-технический институт (MIPT)Moscow, Russia
 		 	   		  
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