[Pw_forum] Applying sawtooth filed parallel to a system

[Mohammed Ghadiyali]

Respected Sir,


Thanks for the input.


But, if one is dealing with a bulk system with no vacuum then the potential jump would be in the system?


Regards,
Ghadiyali Mohammed Kader,
Research Scholar,
Dept. of Physics,
University of Mumbai.

________________________________
From: Thomas Brumme <thomas.brumme at uni-leipzig.de>
Sent: Monday, January 8, 2018 3:33 PM
To: PWSCF Forum; Mohammed Ghadiyali
Subject: Re: [Pw_forum] Applying sawtooth filed parallel to a system

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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