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 Granov??????????
??????-??????????? ???????? (MIPT)Moscow, Russia
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