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Dear Zahra,<br>
<br>
without at least some hints what you mean with "there are some
differences" and "is also similar" or which kind of system you're
interested in, it is really hard to give a definite answer.<br>
<br>
In principle, the result of a well-converged DFT calculation should
not depend on the basis set which is used...<br>
<br>
Regards<br>
<br>
Thomas<br>
<br>
<div class="moz-cite-prefix">On 24.01.2018 17:08, Zara Nosh wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAP8ZduN0uBv=2-udDAshcS2=CF_Vr61gB8i3dq1dV0n1FchUqA@mail.gmail.com">
<div dir="ltr">
<div class="gmail_default"
style="font-size:large;color:rgb(32,18,77)">Dear experts,</div>
<div class="gmail_quote">
<div dir="ltr">
<div style="font-size:large;color:#20124d">I have calculated
the bandstructure of a 2d periodic system using PWscf and
siesta. the overall pictures of bandstructure are same
however there are some differences between them.</div>
<div style="font-size:large;color:#20124d"><br>
</div>
<div style="font-size:large;color:#20124d">The bandstructure
calculated by vasp ( with planwave basis) is also similar
to PWscf bandstructure. And it shows that the difference
is due to the atomic like basis set of siesta.</div>
<div style="font-size:large;color:#20124d"><br>
</div>
<div style="font-size:large;color:#20124d">Now my question
is that which bandstructures are more reliable? I guess
that as the structure is periodic the planewave should
give a better simulation; is it right?</div>
<div style="font-size:large;color:#20124d"><br>
</div>
<div style="font-size:large;color:#20124d">Best regards,</div>
<div style="font-size:large;color:#20124d">Zahra</div>
<div style="font-size:large;color:#20124d"> </div>
</div>
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<br>
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<br>
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<br>
<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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