[Pw_forum] About nelec and tot_charge

[oulihui666]

Dear pwscf users,   I want to do a structural relaxation of a charged system using pwscf. For example, In the process of oxygen reduction reaction, adsorption of hydration proton(H3O+) on Pt(111) surface,  simultaneously, a extra electron is added, that is to say, O2 + H+ + e- . When I calculate this system with pwscf, could I add charge and add a electron simultanously?  I will be glad to learn some extra tricks related to fast scf convergence in such scenarios.       Thanks in advance      Lihui Ou   
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======================================Lihui OuPH.D Candidate in Electrochemistry                     College of Chemistry and Molecular Science           Wuhan University,430072,Hubei Province,China E-mail:oulihui666 at 126.com======================================
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