[Pw_forum] Applying sawtooth filed parallel to a system

[Thomas Brumme]

Dear Ghadiyali Mohammed Kader,

applying the electric field parallel to the system, thus placing the 
potential jump "into" the system
makes no sense and is wrong. Yet, if you provide more details on what 
you actually want to do,
someone might be able to help.

Regards

Thomas

On 08.01.2018 08:05, Mohammed Ghadiyali wrote:
>
> Dear All,
>
>
> Is it possible to use the sawtooth method as I require smearing for 
> applying electric field parallel to a system?
>
>
> I do understand the parameter edir can be used to specify the 
> direction, but it also specifies the direction of vacuum.
>
> I mean, I have a vacuum along the z-direction and I want to apply the 
> electric field along the x and y-direction.
>
> Then how to select the values of emoxpos and eopreg?
>
>
> Regards,
>
> Ghadiyali Mohammed Kader,
>
> Research Scholar,
>
> Dept. of Physics,
>
> University of Mumbai.
>
>
>
>
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-- 
Dr. rer. nat. Thomas Brumme
Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry
Leipzig University
Phillipp-Rosenthal-Strasse 31
04103 Leipzig

Tel:  +49 (0)341 97 36456

email: thomas.brumme at uni-leipzig.de

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