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Dear Ghadiyali Mohammed Kader,<br>
<br>
applying the electric field parallel to the system, thus placing the
potential jump "into" the system<br>
makes no sense and is wrong. Yet, if you provide more details on
what you actually want to do,<br>
someone might be able to help.<br>
<br>
Regards<br>
<br>
Thomas<br>
<br>
<div class="moz-cite-prefix">On 08.01.2018 08:05, Mohammed Ghadiyali
wrote:<br>
</div>
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<p style="margin-top:0;margin-bottom:0">Dear All,</p>
<p style="margin-top:0;margin-bottom:0"><br>
</p>
<p style="margin-top:0;margin-bottom:0">Is it possible to use
the sawtooth method as I require smearing for applying
electric field parallel to a system?</p>
<p style="margin-top:0;margin-bottom:0"><br>
</p>
<p style="margin-top:0;margin-bottom:0">I do understand the
parameter edir can be used to specify the direction, but it
also specifies the direction of vacuum.</p>
<p style="margin-top:0;margin-bottom:0">I mean, I have a vacuum
along the z-direction and I want to apply the electric field
along the x and y-direction. </p>
<p style="margin-top:0;margin-bottom:0">Then how to select the
values of emoxpos and <span>eopreg?</span></p>
<p style="margin-top:0;margin-bottom:0"><span><br>
</span></p>
<p style="margin-top:0;margin-bottom:0"><span>Regards,</span></p>
<p style="margin-top:0;margin-bottom:0"><span>Ghadiyali Mohammed
Kader,</span></p>
<p style="margin-top:0;margin-bottom:0"><span>Research Scholar,</span></p>
<p style="margin-top:0;margin-bottom:0">Dept. of Physics,</p>
<p style="margin-top:0;margin-bottom:0">University of Mumbai.</p>
<p style="margin-top:0;margin-bottom:0"><br>
</p>
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<br>
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<br>
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<pre class="moz-signature" cols="72">--
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: <a class="moz-txt-link-abbreviated" href="mailto:thomas.brumme@uni-leipzig.de">thomas.brumme@uni-leipzig.de</a>
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