<div dir="ltr">Ok, thank you Sir.</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, 6 Feb 2023 at 01:01, Peter Blaha <<a href="mailto:peter.blaha@tuwien.ac.at">peter.blaha@tuwien.ac.at</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div>
<p>Please read the UG, the section about hybrid DFT.</p>
<p>You need a special procedure and commands for bandstructure with
hybrid-DFT.<br>
</p>
<p><br>
</p>
<div>Am 05.02.2023 um 18:29 schrieb shamik
chakrabarti:<br>
</div>
<blockquote type="cite">
<div dir="ltr">Dear Wien2k users,
<div><br>
</div>
<div> I have gotten a converged
structure with HSE06 using 1 k point. The system is simple
cubic. Now I want to get the band structure. There is a script
for using case.klist_band. I can accept it & follow the
sequence as being given in w2web. My query is do I need to use
-hf switch during any of the sequence?<br clear="all">
<div><br>
</div>
<div>with regards,</div>
-- <br>
<div dir="ltr">
<div dir="ltr">
<div>
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div style="font-size:small">Dr. Shamik
Chakrabarti</div>
<div style="font-size:small">Research Fellow </div>
<div style="font-size:small">Department of
Physics</div>
<div style="font-size:small">Indian Institute of
Technology Patna</div>
<div style="font-size:small">Bihta-801103</div>
<div style="font-size:small">Patna</div>
<div style="font-size:small">Bihar, India</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
<br>
<fieldset></fieldset>
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Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-size:small">Dr. Shamik Chakrabarti</div><div style="font-size:small">Research Fellow </div><div style="font-size:small">Department of Physics</div><div style="font-size:small">Indian Institute of Technology Patna</div><div style="font-size:small">Bihta-801103</div><div style="font-size:small">Patna</div><div style="font-size:small">Bihar, India</div></div></div></div></div></div></div></div>