Questions about Non-collinear and SOC runs

Queries about input and output files, running specific calculations, etc.


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hong_tang1
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Questions about Non-collinear and SOC runs

#1 Post by hong_tang1 » Tue Sep 21, 2021 3:30 pm

Dear VASP masters:

I have some additional questions about Non-collinear and SOC runs. Please help.

1. Non-collinear + SOC (spin-orbit coupling), set LSORBIT=.True. My question is: how to check the spin state (up or down) of each band and each k point? How do I know the SOC splitting amount at one band and one k-point?

2. SAXIS is only for non-collinear and SOC, right? SAXIS is the direction of the “virtual” external magnetic field, right? It is only used to study the magnetic anisotropy, right?


3. If a system is ferromagnetic or antiferromagnetic, then whatever I rotate the system in the supercell and do the collinear runs, then I will get the same results, right? Whatever I rotate it, I will always get the final magnetic moments along the Z axis, right?



Best,
Hong

support_vasp
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Re: Questions about Non-collinear and SOC runs

#2 Post by support_vasp » Wed Sep 11, 2024 3:04 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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