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Dear Pooja,<br>
<br>
setting tefield=.true. disables all symmetries. Have a look at
PW/src/input.f90, line 455 (version 5.1).<br>
I think that you can also disable this, however, you have to be
careful that the code does not use any<br>
symmetry which includes the z axis (or your efield direction).<br>
<br>
Cheerio<br>
<br>
Thomas<br>
<br>
<br>
<div class="moz-cite-prefix">On 11/19/2014 09:59 AM, Pooja Dhorge
wrote:<br>
</div>
<blockquote
cite="mid:CAHnq2DMynNsDL4xuro+TdV5Zdv8a5awx97fac8Cv5HFVs9NJ+g@mail.gmail.com"
type="cite">
<div dir="ltr"><font color="black" face="Helvetica"><span
style="font-size:10pt" dir="ltr"><font face="Times New
Roman"><span style="font-size:16px"><font face="Tahoma"><span
style="font-size:10pt">Dear all,<br>
<br>
We are doing surface calculations using
dipole correction.<br>
The system under consideration is Cu(111) plane and
we have considered 4 atomic layers. I am attaching
the input files with this mail. <br>
<br>
I have noticed that, for 3x3x1 unshifted k-point
mesh, I get 3 k-points with no dipole correction and
5 k-points with dipole correction. <br>
<br>
I am unable to understand how dipole flag changes
the number of k-points. Could you please shade some
light on this? <br>
<br>
Thanks,<br>
Pooja<br>
<br>
Project Assistant,<br>
Physical and Materials Chemistry Division,<br>
CSIR-National Chemical Laboratory,<br>
Pune, India.<br>
</span></font></span></font></span></font></div>
<br>
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<br>
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<br>
<pre class="moz-signature" cols="72">--
Dr. rer. nat. Thomas Brumme
Institut de Minéralogie, de Physique des Matériaux, et de Cosmochimie
Sorbonne Universités - UPMC Univ Paris 06
4 Place Jussieu
75005 Paris
Tel: +33 (0) 1 442 77204
email: <a class="moz-txt-link-abbreviated" href="mailto:Thomas.Brumme@impmc.upmc.fr">Thomas.Brumme@impmc.upmc.fr</a></pre>
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