Questions about Non-collinear and SOC runs
Posted: 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
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