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<div dir="ltr" data-setdir="false">dear wien2k users </div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">i tryed to do onsit exact exchan i get this error </div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">uplapw1_error 282</div><div dir="ltr" data-setdir="false">uplapwdm_error 240</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">INILPW -cant open unit 18</div><div dir="ltr" data-setdir="false">INILPW filename : case.vspup</div><div dir="ltr" data-setdir="false"><span><span style="color: rgb(0, 0, 0); font-family: Helvetica Neue, Helvetica, Arial, sans-serif;">INILPW status : old form: formated</span></span><br></div><div dir="ltr" data-setdir="false"><span><span style="color: rgb(0, 0, 0); font-family: Helvetica Neue, Helvetica, Arial, sans-serif;">lapw1 - <span><span style="color: rgb(0, 0, 0); font-family: Helvetica Neue, Helvetica, Arial, sans-serif;">INILPW aborded unsuccessfully</span></span></span></span></div><div dir="ltr" data-setdir="false"><span><span style="color: rgb(0, 0, 0); font-family: Helvetica Neue, Helvetica, Arial, sans-serif;"><span><span style="color: rgb(0, 0, 0); font-family: Helvetica Neue, Helvetica, Arial, sans-serif;"><br></span></span></span></span></div><div dir="ltr" data-setdir="false"><span><span style="color: rgb(0, 0, 0); font-family: Helvetica Neue, Helvetica, Arial, sans-serif;"><span><span style="color: rgb(0, 0, 0); font-family: Helvetica Neue, Helvetica, Arial, sans-serif;"><br></span></span></span></span></div><div dir="ltr" data-setdir="false">how can i get solution of this problem ???</div><div dir="ltr" data-setdir="false"><br></div><div><br></div>
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Le dimanche 24 novembre 2019 à 12:50:54 UTC+1, Tran, Fabien <fabien.tran@tuwien.ac.at> a écrit :
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<div><div id="yiv0161139749"><style type="text/css">#yiv0161139749 #yiv0161139749 -- p {margin-top:0px;margin-bottom:0px;}#yiv0161139749 </style><div dir="ltr">
<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 dir="ltr" id="yiv0161139749divRplyFwdMsg"><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 clear="none">
<b>Sent:</b> Saturday, November 23, 2019 6:06 PM<br clear="none">
<b>To:</b> wien-request@zeus.theochem.tuwien.ac.at; wien@zeus.theochem.tuwien.ac.at<br clear="none">
<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" style="background-color: inherit;"><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" style="background-color: inherit;"><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" style="background-color: inherit;"><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" style="background-color: inherit;"><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" style="background-color: inherit;"><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" style="background-color: inherit;"><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" style="background-color: inherit;"><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" style="background-color: inherit;"><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" style="background-color: inherit;"><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" style="background-color: inherit;"><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" style="background-color: inherit;"><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" style="background-color: inherit;"><span style="font-family:arial, sans-serif;"><br clear="none">
</span></font></span></span></span></font></font></font></span></div>
<div><span style="font-variant:normal;"><font color="#222222" style="background-color: inherit;"><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" style="background-color: inherit;"><span style="font-family:arial, sans-serif;">Thanks
and regards<br clear="none">
</span></font></span></span></span></font></font></font></span></div>
<div><font size="2"><span style="font-variant:normal;"><font color="#222222" style="background-color: inherit;"><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 clear="none">
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<div><span style="font-variant:normal;"><font color="#222222" style="background-color: inherit;"><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" style="background-color: inherit;">Peeyush
Kumar Kamlesh</font><br clear="none">
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<div class="yiv0161139749gmail_attr" dir="ltr">On Sat, Nov 23, 2019 at 10:46 AM Peeyush kumar kamlesh <<a rel="nofollow" shape="rect" ymailto="mailto:peeyush.physik.rku@gmail.com" target="_blank" href="mailto:peeyush.physik.rku@gmail.com">peeyush.physik.rku@gmail.com</a>> wrote:<br clear="none">
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<div>Dear Users,</div>
<div>Greetings!<br clear="none">
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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 clear="none">
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