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: [email protected]
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