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For questions about "spin angular momentum", spin states, and anything else having to do with spin.
4
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1
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What are the precise forms for the SU(2) and rotation matrices in VASP?
Use spin rotation matrix to rotate quantization axis.
src/locproj.F- ! The rotation matrix is obtained from two spin rotations.
src/locproj.F- ! … The spin rotation is given by
src/locproj.F- ! R = R_s(alpha,z)*R_s(beta,y)
src/locproj.F- !
src/locproj.F- ! Rotating the spin up and down states of Sz yields:
src/locproj.F- ! …
4
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2
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How to compute spin projections in QE?
It's well known that VASP can print three orthogonal spin projections at each k point corresponding to each band in the file PROCAR controlled by the tags LORBIT and RWIGS. …