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<div class="moz-cite-prefix">Your procedure looks like it would
likely work fine.<br>
<br>
However, as I mentioned before [
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15331.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15331.html</a>
], I would follow the bandstructure steps that w2web gives, which
is most likely the following (as w2web might change them depending
on what settings are activated):<br>
<br>
Spin UP selected<br>
<br>
create case.klist_band<br>
x lapw1 -band -up -orb<br>
x lapw1 -band -dn -orb<br>
edit case.insp (insert EF)<br>
x spaghetti -up<br>
<br>
Then, Spin DOWN selected<br>
<br>
x lapw1 -band -dn -orb<br>
x lapw1 -band -up -orb<br>
edit case.insp<br>
x spaghetti -dn<br>
<br>
Regarding DOS, you can also follow the steps that w2web gives.<br>
<br>
On 1/16/2017 3:38 PM, Abderrahmane Reggad wrote:<br>
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cite="mid:CAAD-0Tkm-vtMyP1b2CD-k4+JTkqBYa+6+YAnox-a-A7CQ8DFNg@mail.gmail.com"
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<div dir="ltr">Thank you Dr Gavin for the detailed explanation
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<div>Can we adopt this procedure for band structure</div>
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<pre style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap;word-wrap:break-word;margin-top:0px;margin-bottom:0px;color:rgb(0,0,0)"> x lapw1(c) -band -up -orb # eece potential is included by orb</pre>
<pre style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap;word-wrap:break-word;margin-top:0px;margin-bottom:0px;color:rgb(0,0,0)"> x lapw1(c) -band -dn -orb</pre>
<pre style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap;word-wrap:break-word;margin-top:0px;margin-bottom:0px;color:rgb(0,0,0)"> x spaghetti (-c) -up </pre>
<pre style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap;word-wrap:break-word;margin-top:0px;margin-bottom:0px;color:rgb(0,0,0)"> x spaghetti (-c) -dn </pre>
<pre style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap;word-wrap:break-word;margin-top:0px;margin-bottom:0px;color:rgb(0,0,0)">
</pre>
<pre style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap;word-wrap:break-word;margin-top:0px;margin-bottom:0px;color:rgb(0,0,0)">Best regards</pre>
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-- <br>
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<div><font size="2"><span
style="color:rgb(0,0,255)">Mr:
A.Reggad</span>
<br>
<span
style="background-color:rgb(238,238,238)"><span
style="color:blue">Laboratoire
de Génie Physique</span></span><br>
</font></div>
<font size="2"><span
style="color:rgb(0,0,255)">Université
Ibn Khaldoun - Tiaret</span><br>
</font></div>
<div style="font-family:monospace"><font
color="#0000ff" size="2">Adresse:
BP 144 AL ATTAF AIN DEFLA <br>
</font></div>
<div style="font-family:monospace"><font
color="#0000ff" size="2">Tel:
+213(0)561861963</font></div>
<div><font size="2"><span
style="font-family:monospace"><span
style="color:rgb(0,0,255)">Algerie</span></span></font><br>
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