[QE-users] Spin-orbit: coupling constant in pwscf

[Christoph Wolf]

Dear all,

I hope you are well and the summer is treating you well, despite external
circumstances... I have a probably silly question but:

When using fully-relativistic PPs and a calculation that includes
spin-orbit and non-collinear magnetism, is there a way to print the
magnitude of the spin-orbit coupling strength (usually I think expressed as
the product of a "single electron" coupling strength "zeta" and S.L, the
operators for spin and angular momentum). Or is this treated differently in
plane-wave codes when using FR PPs where this is already included on the
level of the pseudo generation?

With best wishes,
Chris

-- 
Group Leader "Theory of Quantum Systems at Surfaces"
IBS Center for Quantum Nanoscience
Seoul, South Korea
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