[Pw_forum] How to add an electric field

[Paolo Giannozzi]

On Mon, 2013-05-20 at 10:09 +0800, moonfine at mail.sdu.edu.cn wrote:

> I want to add an electric field  in the direction perpendicular
> to the surface  to mimic the presence of electrode potential. 
> How to do this using pwscf?

there are two ways:
- a sawtooth potential (option tefield=.true.)
- a finite electric field via the Berry phase
  (option lelfield=.true.)
Both are documented (sort of) with examples and in the
INPUT_PW.* files

P.

-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222