[QE-users] Question on using bands.x with nspin=2 and total_magnetization=1

[Rameswar Bhattacharjee]

Dear QE community,

I have a question regarding the use of bands.x in a spin-polarized
calculation. When I run an SCF calculation with nspin=2 and
total_magnetization=1, how should I properly run bands.x?

   -

   Should I use the spin_component keyword to specify up-spin or down-spin
   bands, or is it recommended to simply run bands.x without this keyword?
   -

   I tried using spin_component=1 and 2, but I encountered errors in both
   cases. On the other hand, when I ran bands.x without the
spin_component keyword,
   the job completed normally.

Could you please advise on the correct way to handle this situation? Any
guidance or clarification would be greatly appreciated.

Thank you in advance for your help.

Best regards,
Rameswar Bhattacharjee

-- 
Rameswar Bhattacharjee
Georgetown University
Washington, DC 20057
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