<!DOCTYPE html>
<html data-lt-installed="true">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
</head>
<body style="padding-bottom: 1px;">
<p><br>
</p>
<blockquote type="cite"
cite="mid:CAA4ekmPJNKHhNwRGxj+Dugfh8YrEqwksr717uJXHiik2uUaz6A@mail.gmail.com">
<div dir="ltr">
<div>
<ul style="color:rgb(0,0,0)">
<li>
<p>Should I use the<span
class="gmail-Apple-converted-space"> </span><code>spin_component</code><span
class="gmail-Apple-converted-space"> </span>keyword to
specify up-spin or down-spin bands, or is it recommended
to simply run<span class="gmail-Apple-converted-space"> </span><code>bands.x</code><span
class="gmail-Apple-converted-space"> </span>without
this keyword?</p>
</li>
</ul>
</div>
</div>
</blockquote>
<p>It depends on what you want to achieve. <br>
</p>
<blockquote type="cite"
cite="mid:CAA4ekmPJNKHhNwRGxj+Dugfh8YrEqwksr717uJXHiik2uUaz6A@mail.gmail.com">
<div dir="ltr">
<div>
<ul style="color:rgb(0,0,0)">
<li>
<p>I tried using<span class="gmail-Apple-converted-space"> </span><code>spin_component=1</code><span
class="gmail-Apple-converted-space"> </span>and<span
class="gmail-Apple-converted-space"> </span><code>2</code>,
but I encountered errors in both cases. On the other
hand, when I ran<span
class="gmail-Apple-converted-space"> </span><code>bands.x</code><span
class="gmail-Apple-converted-space"> </span>without
the<span class="gmail-Apple-converted-space"> </span><code>spin_component</code><span
class="gmail-Apple-converted-space"> </span>keyword,
the job completed normally.</p>
</li>
</ul>
</div>
</div>
</blockquote>
Which error?<br>
<blockquote type="cite"
cite="mid:CAA4ekmPJNKHhNwRGxj+Dugfh8YrEqwksr717uJXHiik2uUaz6A@mail.gmail.com">
<div dir="ltr">
<div>
<p style="color:rgb(0,0,0)">Could you please advise on the
correct way to handle this situation? Any guidance or
clarification would be greatly appreciated.</p>
</div>
</div>
</blockquote>
<p>The correct way is to provide the full input and output of the
calculation that is giving you trouble. And, more in general, if
you think that a specific output is wrong, you should explain why
you think so.</p>
<p>kind regards<br>
</p>
<blockquote type="cite"
cite="mid:CAA4ekmPJNKHhNwRGxj+Dugfh8YrEqwksr717uJXHiik2uUaz6A@mail.gmail.com">
<div dir="ltr">
<div>
<p style="color:rgb(0,0,0)">Thank you in advance for your
help.</p>
<p style="color:rgb(0,0,0)">Best regards,<br>
Rameswar Bhattacharjee</p>
</div>
<div><br>
</div>
<span class="gmail_signature_prefix">-- </span><br>
<div dir="ltr" class="gmail_signature"
data-smartmail="gmail_signature">
<div dir="ltr">
<div>Rameswar Bhattacharjee</div>
<div>
<div>Georgetown University</div>
<div>Washington, DC 20057</div>
</div>
</div>
</div>
</div>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
<pre wrap="" class="moz-quote-pre">_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.
--------------------------------------------------------------------------------
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu">www.max-centre.eu</a>)
users mailing list <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
</blockquote>
<div class="moz-signature">-- <br>
<small>Dr. Lorenzo Paulatto<br>
IR IMPMC - CNRS UMR 7590 / Sorbonne Université / MNHN <br>
phone: +33 (0)1 442 79822 / telegram: lpaulatto<br>
<a href="http://www.impmc.upmc.fr/~paulatto/"
class="moz-txt-link-freetext">http://www.impmc.upmc.fr/~paulatto/</a>
- <a href="https://anharmonic.github.io/"
class="moz-txt-link-freetext">https://anharmonic.github.io/</a><br>
23-24/423 B115, 4 place Jussieu 75252 Paris CX 05<small></small></small></div>
</body>
<lt-container></lt-container>
</html>