Spin-resolved band structure

[WEIW]

Dear all,
When I include the SOC in the calculation, and I want to distinguish the spin-down and spin-up electronic states in the obtained band structure, how can I extract the spin weight? Are the contents of the o.spin_factors_UP_interpolated and o.spin_factors_DN_interpolated files the spin weights?

Best wishes,
Liu.

[Davide Sangalli]

Yeah, they are.
You can use them to weight the bands and the DOS.

Best,
D.

[WEIW]

Dear Davide,
I plotted the band structure of MoSi2N4 with spin weights in o.spin_factors_UP_interpolated and o.spin_factors_DN_interpolated, but I didn't get the expected result. Theoretically, the spin polarizations at the K and K' valleys are opposite after considering the SOC, but what I get is the same. Then I simulated the band structure of MoS2, and I did not get the band structure of the opposite spin polarization. Can you help me see where the problem is ?

Best wishes,
Liu

[Davide Sangalli]

Dear Liu,
I do not see the files for the interpolation run.
Can you attach them ?

Best,
D.