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<p>I suggest you stay with the default mode (the other options are
more experimental) and put IFIELD=30.</p>
<p>This produces for EFELD=1.0 Ry a zig-zag potential along z of 0.5
(for z=0), -0.5 (for z=0.5) and again 0.5 for z=1.0.</p>
<p>Thus you need to setup a slab with your atoms centered around
z=0.25 and a vacuum thick enough so that you do not have atoms
close to the kinks at Z=0 or z=0.5. Also make sure that you do not
have inversion symmetry.</p>
<p>PS: As you noticed, there is a small bug in WIEN2k_21 for the
E-field option and it must be specified in the 5th line ! (Will be
fixed in the new release).<br>
</p>
<p> <br>
</p>
<div class="moz-cite-prefix">Am 04.01.2023 um 11:54 schrieb Zohreh
Alsadat Nourbakhsh:<br>
</div>
<blockquote type="cite"
cite="mid:65039360a0b08711e783c17f01d9defa@ph.iut.ac.ir">
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Tahoma,Arial,Helvetica,sans-serif;">
<p>Dear Wien2k admins and users</p>
<p>I am using WIEN2k_21.1 on linux mint 21 (MATE 64-bit) mint
code for apply external electric field to a two dimensional
semimetal system. Unfortunatly, after following the
userguide instructions, it seems that external electric has
almost no effect on my electronic band structure.</p>
<p>I have tried various values of IFIELD paramater (30, 8000,
10000, 11000, 12000), but the expected splitting in the band
crossing did not happen. I also tried a lot to reproduce the
calculations in the results of the article (<a
href="https://doi.org/10.1016/j.physe.2012.04.017"
target="_blank" rel="noopener noreferrer"
moz-do-not-send="true" class="moz-txt-link-freetext">https://doi.org/10.1016/j.physe.2012.04.017</a>)
on bilayer graphene, but I failed to observe the reported
spliiting after applying electric field.</p>
<p>my case.in0 input file for electric filed application:</p>
<p>TOT XC_PBE (XC_LDA,XC_PBESOL,XC_WC,XC_MBJ,XC_SCAN)
<br>
NR2V IFFT (R2V)<br>
18 18 216 2.00 1 NCON 9 # min IFFT-parameters,
enhancement factor, iprint, NCON n<br>
8000 0.3<br>
8000 0.3</p>
<p>Your kind help is highly appreciarted.</p>
<p> Best Regards</p>
<p> Z.Nourbakhsh</p>
<p><br>
</p>
</div>
</div>
<br>
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<pre class="moz-signature" cols="72">--
-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: <a class="moz-txt-link-abbreviated" href="mailto:peter.blaha@tuwien.ac.at">peter.blaha@tuwien.ac.at</a>
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