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For questions about "spin angular momentum", spin states, and anything else having to do with spin.

4 votes
1 answer
176 views

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- ! …
Hongyi Zhao's user avatar
4 votes
2 answers
639 views

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. …
Hongyi Zhao's user avatar