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<p>You forgot -hf option with spaghetti:</p>
<p>x spaghetti -p -hf</p>
<p>Also, make sure that it is the last value of :FER in case.scf that you use in case.insp.</p>
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<div id="divRplyFwdMsg" dir="ltr"><font color="#000000" face="Calibri, sans-serif" style="font-size: 11pt;"><b>From:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of Peeyush kumar kamlesh <peeyush.physik.rku@gmail.com><br>
<b>Sent:</b> Saturday, November 23, 2019 6:06 PM<br>
<b>To:</b> wien-request@zeus.theochem.tuwien.ac.at; wien@zeus.theochem.tuwien.ac.at<br>
<b>Subject:</b> Re: [Wien] Problem in Bandstructure plot</font>
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<div><font size="2"><span style="font-family: arial,sans-serif;">Dear Bhamu Sir,</span></font></div>
<div><font size="2"><span style="font-family: arial,sans-serif;">I used following commands:</span></font></div>
<div><font size="2"><span style="font-family: arial,sans-serif;">1. init_lapw -p</span></font></div>
<div><font size="2"><span style="font-family: arial,sans-serif;">2. run_lapw -p</span></font></div>
<div><font size="2"><span style="font-family: arial,sans-serif;">3. init_hf_lapw -p</span></font></div>
<div><font size="2"><span style="font-family: arial,sans-serif;">4. run_lapw -p -hf</span></font></div>
<div><font size="2"><span style="font-family: arial,sans-serif;">5. Then<span style="font-variant: normal;"><font color="#222222"><span style="letter-spacing: normal;"><span style="font-style: normal;"><span style="font-weight: normal;"> create case.klist_band
as usual</span></span></span></font></span></span></font></div>
<div><font size="2"><span style="font-family: arial,sans-serif;"><span style="font-variant: normal;"><font color="#222222"><span style="letter-spacing: normal;"><span style="font-style: normal;"><span style="font-weight: normal;">6.</span></span></span></font></span><span style="font-variant: normal;"><font color="#222222"><span style="letter-spacing: normal;"><span style="font-style: normal;"><span style="font-weight: normal;">
run_bandplothf_lapw -</span></span></span></font></span><span style="font-variant: normal;"><font color="#222222"><span style="letter-spacing: normal;"><span style="font-style: normal;"><span style="font-weight: normal;">p -qtl</span></span></span></font></span></span></font></div>
<div><font size="2"><span style="font-family: arial,sans-serif;"><span style="font-variant: normal;"><font color="#222222"><span style="letter-spacing: normal;"><span style="font-style: normal;"><span style="font-weight: normal;">7. edit case.insp</span></span></span></font></span></span></font></div>
<div><font size="2"><span style="font-family: arial,sans-serif;"><span style="font-variant: normal;"><font color="#222222"><span style="letter-spacing: normal;"><span style="font-style: normal;"><span style="font-weight: normal;">8. x spaghetti -p</span></span></span></font></span></span></font></div>
<div><span style="font-variant: normal;"><font color="#222222"><font face="Arial, Helvetica, sans-serif"><font size="3" style="font-size: 12pt;"><span style="letter-spacing: normal;"><span style="font-style: normal;"><span style="font-weight: normal;"><font size="2"><span style="font-family: arial,sans-serif;">9.
plot bandstrucure</span></font></span></span></span></font></font></font></span></div>
<div><span style="font-variant: normal;"><font color="#222222"><font face="Arial, Helvetica, sans-serif"><font size="3" style="font-size: 12pt;"><span style="letter-spacing: normal;"><span style="font-style: normal;"><span style="font-weight: normal;"><font size="2"><span style="font-family: arial,sans-serif;">So,
Is there any need to run lapw2 and spaghetti again?</span></font></span></span></span></font></font></font></span></div>
<div><span style="font-variant: normal;"><font color="#222222"><font face="Arial, Helvetica, sans-serif"><font size="3" style="font-size: 12pt;"><span style="letter-spacing: normal;"><span style="font-style: normal;"><span style="font-weight: normal;"><font size="2"><span style="font-family: arial,sans-serif;"><br>
</span></font></span></span></span></font></font></font></span></div>
<div><span style="font-variant: normal;"><font color="#222222"><font face="Arial, Helvetica, sans-serif"><font size="3" style="font-size: 12pt;"><span style="letter-spacing: normal;"><span style="font-style: normal;"><span style="font-weight: normal;"><font size="2"><span style="font-family: arial,sans-serif;">Thanks
and regards<br>
</span></font></span></span></span></font></font></font></span></div>
<div><font size="2"><span style="font-variant: normal;"><font color="#222222"><font face="Arial, Helvetica, sans-serif"><span style="letter-spacing: normal;"><span style="font-style: normal;"><span style="font-weight: normal;"><span style="font-family: arial,sans-serif;"></span><br>
</span></span></span></font></font></span></font></div>
<div><span style="font-variant: normal;"><font color="#222222"><font face="Arial, Helvetica, sans-serif"><font size="3" style="font-size: 12pt;"><span style="letter-spacing: normal;"><span style="font-style: normal;"><span style="font-weight: normal;"><font size="2">Peeyush
Kumar Kamlesh</font><br>
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<div class="gmail_attr" dir="ltr">On Sat, Nov 23, 2019 at 10:46 AM Peeyush kumar kamlesh <<a href="mailto:peeyush.physik.rku@gmail.com">peeyush.physik.rku@gmail.com</a>> wrote:<br>
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<div>Dear Users,</div>
<div>Greetings!<br>
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<div>Generally when we plot bandstructure in WIEN2k, it shows fermi level (Ef = 0) just above the valance band. But when i am plotting it for my compound then fermi level is crossing the valance band. Can you please explain the problem and suggest a solution?</div>
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<div>Regards</div>
<div>Peeyush Kumar Kamlesh<br>
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