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<p>I was not sure if I actually should answer this, as it is so
trivial<br>
</p>
<p>What should you do when you are not sure about the usage of a
WIEN2k script: Use the -h option !<br>
</p>
<p>run_bandplothf -h<br>
</p>
<p>run_bandplothf_lapw prepares a bandstructure plot for hybrid-DFT
calculations.<br>
The steps are (use identical options [-redklist -diaghf -so
-up/-dn -in1orig] as during scf): <br>
prepare CaCl2.klist_band (as usual)<br>
run_bandplothf_lapw [-p -qtl -redklist -diaghf -mode1/2/3 -so
-up/-dn -in1orig]<br>
x spaghetti -hf [-p]<br>
</p>
<p>I guess the answer is pretty clear ....<br>
</p>
<div class="moz-cite-prefix">Am 09.02.2023 um 15:28 schrieb shamik
chakrabarti:<br>
</div>
<blockquote type="cite"
cite="mid:CAA+63+oq=h=c9dzosDi=8KOOU-QP4+uz==ptJ9t=7e5kqLc6zA@mail.gmail.com">
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<div dir="ltr">Dear Wien2k users,
<div><br>
</div>
<div> After getting a solution using HSE06, during the band
structure plotting when we use <span
style="color:rgb(0,0,0);font-family:NimbusMonL-Bold;font-weight:bold">case.klist
band, should we use </span>
<div>run_ bandplothf_lapw -up/dn -redklist?<br>
</div>
<div><br>
</div>
<div>Looking forward to listening from you.</div>
<div><br>
</div>
<div>With regards,</div>
<font size="4">-- </font><br>
<div dir="ltr" class="gmail_signature"
data-smartmail="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>
</div>
</div>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
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<pre class="moz-signature" cols="72">--
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