Dear Alex, please check following ref. 10.1103/PhysRevLett.110.086104
As my best knowledge, it is not implemented in current versions. Y. p. Azar Physics dept AK Univ. Tehran, Iran On Tue, Nov 12, 2013 at 12:24 PM, Alex Granov <alex.granov at outlook.com>wrote: > 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 > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131114/4e164906/attachment.html
