<div dir="ltr"><div><p style="color:rgb(0,0,0)">Dear QE community,</p><p style="color:rgb(0,0,0)">I have a question regarding the use of<span class="gmail-Apple-converted-space"> </span><code>bands.x</code><span class="gmail-Apple-converted-space"> </span>in a spin-polarized calculation. When I run an SCF calculation with<span class="gmail-Apple-converted-space"> </span><code>nspin=2</code><span class="gmail-Apple-converted-space"> </span>and<span class="gmail-Apple-converted-space"> </span><code>total_magnetization=1</code>, how should I properly run<span class="gmail-Apple-converted-space"> </span><code>bands.x</code>?</p><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><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><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><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>