[Pw_forum] electrochemical potential

[Paolo Giannozzi]

Masoud Nahali wrote:

> How can one apply electrochemical potential to a metal  in quantum 
> espresso? for example +0.2 or +1.0 that is proper for oxidation and also 
> negative extents like -0.3 and -1.5.
> I think that it may related to fermi level but I can not apply.

what you can do is to change the charge state of the (super-)cell,
using variable "tot_charge"

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy