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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