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Dear Ghadiyali,<br>
<br>
the values of emaxpos and eopreg should be chosen such that the
dipole is within the vacuum region of your system.<br>
For example, if the 2D system is centered around z = 0, eamp = 0.49
and eopreg 0.02 are a reasonable choice. In the end, you need to
check that the density is not overlapping with the dipole by
plotting the charge density (pp.x with plot_num=0) and the total
potential (pp.x with plot_num=1 or 11). The value of eopreg depends
on the size of your unit cell and the number of real-space points in
the z-direction. I think that within the distance of emaxpos and
emaxpos+eopreg there should be at least a few grid points.<br>
<br>
Regards<br>
<br>
Thomas<br>
<br>
<div class="moz-cite-prefix">On 11/02/17 09:34, Mohammed Ghadiyali
wrote:<br>
</div>
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<p>Dear all,</p>
<p><br>
</p>
<p>I intend to do calculations on a bilayer system with
perpendicular electric field applied to it, as per the
documentation and few forum post I am required to do following
modifications:</p>
<div>&CONTROL</div>
<div> tefield = .true.,</div>
<div> dipfield = .true.,</div>
<div>
<div>&SYSTEM</div>
<div>
<div> emaxpos = 0.5D0,</div>
<div><span style="font-size: 12pt;"> eopreg =
0.1D0,</span><br>
</div>
</div>
<div> edir = 3, ! To set z direction</div>
<div> eamp = 0.0105,</div>
</div>
<div><br>
</div>
<div>But I not sure as how to select the values of emaxpos and
eopreg, can any one inform as how it is required to be set.</div>
<div><br>
</div>
<div>Regards,</div>
<div>Ghadiyali Mohammed Kader,</div>
<div>Research Scholar,</div>
<div>Dept. of Physics,</div>
<div>University of Mumbai.</div>
</div>
<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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