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<p style="margin-top:0;margin-bottom:0">Respected Sir,</p>
<p style="margin-top:0;margin-bottom:0"><br>
</p>
<p style="margin-top:0;margin-bottom:0">Thanks for the input.</p>
<p style="margin-top:0;margin-bottom:0"><br>
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<p style="margin-top:0;margin-bottom:0">But, if one is dealing with a bulk system with no vacuum then the potential jump would be in the system?</p>
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Regards,
<div>Ghadiyali Mohammed Kader,</div>
<div>Research Scholar,</div>
<div>Dept. of Physics,</div>
<div>University of Mumbai.</div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> Thomas Brumme <thomas.brumme@uni-leipzig.de><br>
<b>Sent:</b> Monday, January 8, 2018 3:33 PM<br>
<b>To:</b> PWSCF Forum; Mohammed Ghadiyali<br>
<b>Subject:</b> Re: [Pw_forum] Applying sawtooth filed parallel to a system</font>
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<div style="background-color:#FFFFFF">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="x_moz-cite-prefix">On 08.01.2018 08:05, Mohammed Ghadiyali wrote:<br>
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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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<pre class="x_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="x_moz-txt-link-abbreviated" href="mailto:thomas.brumme@uni-leipzig.de">thomas.brumme@uni-leipzig.de</a>
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