[Wannier] Help with spin up down band structure with spin orbit coupling

[Malcolm Jardine]

Hello all, 

I would appreciate some help using and understanding Wannier90 to plot a spin up and down band structure when SOC is applied. I have performed a GW calculation on the PtMnSb Heusler system with spin orbit coupling enabled (LSORBIT = True in VASP). I have looked at the tutorials and user guide but have been unable to achieve my goal. 

In my previous calculation without SOC, I was able to do this. I show the minimal relevant inputs for my VASP6.1.0 INCAR which interfaces with Wannier90/3.1.0. The output of the VASP calculation gives wannier90.1.amn, wannier90.1.chk, wannier90.1.eig, wannier90.1.mmn; and the (I assume) other spin channel of wannier90.2.amn, wannier90.2.chk, wannier90.2.eig, wannier90.2.mmn. This could then be used for the spin up and spin down band structures via Wannier90.

.
.
.
NBANDS = 72
LWANNIER90 = .TRUE. # run wannier90 in library mode

ISPIN = 2
MAGMOM = 1*0.0000 1*4.0000 1*0.0000

# number of wannier states
NUM_WANN = 36
# number of bloch bands
num_bands = 36 

WANNIER90_WIN = "
use_bloch_phases = True
guiding_centres=true
exclude_bands = 37-72
begin projections
random
end projections
"


However, when SOC is included in the INCAR, the outputs of Wannier90 are only wannier90.amn, wannier90.chk, wannier90.eig, wannier90.mmn, so there is no longer a spin decomposition and I have been unable to find a way for this to be done. I can see in tutorials 8 and 17 there is guidance on this, but I have been unsuccessful in generating the subsequent files. I assume I should have some initial input to output the up and down band structures separately, or maybe I need to get the .spn file, but this is something I haven’t been able to do via any Wannier90 inputs in the .win file.

Can someone please advice how to add in a spin up and down decomposition into the calculation with SOC?
Thank you!
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