[Pw_forum] SOC with Spin Polarization (UP and DOWN SPIN)

[Mohammed Ghadiyali]

Dear ALL,


I have asked this question before but I 'm not getting a solution to my problem.


I 'm doing SOC calculation on bilayer 2D tin, in the band structure I am getting band splitting,


I suspect that band splitting is due to the UP and DOWN spin of the electron.


For verifying I need to perform SOC calculation with Spin polarization so when the band structure is plotted


I get which band is due to UP or DOWN spin. I have tired using nspin = 2 with noncolin = .true. but it


gives an error that either i have to use nspin =2 or noncolin = .true., other options does not give spin information which I require.


This is the last part I need. Please Help. And if it is not implemented in QE, that what would be the solution.


I 'm referring this research paper:


DOI: 10.1021/acs.jpclett.6b00693           J. Phys. Chem. Lett. 2016, 7, 2175?2181


Regards,

Ghadiyali Mohammed Kader.
University of Mumbai

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