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

[Lorenzo Paulatto]

>  *
>
>     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?
>
It depends on what you want to achieve.

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

kind regards

> Thank you in advance for your help.
>
> Best regards,
> Rameswar Bhattacharjee
>
>
> -- 
> Rameswar Bhattacharjee
> Georgetown University
> Washington, DC 20057
>
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-- 
Dr. Lorenzo Paulatto
IR IMPMC - CNRS UMR 7590 / Sorbonne Université / MNHN
phone: +33 (0)1 442 79822 / telegram: lpaulatto
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