[Pw_forum] spin-orbit matrix elements

[Mortaza Aghtar]

Dear QE community,

I am not sure whether my question is correct but:

Is it possible to print out the terms of* < i | Hso | j > *, the matrix
elements of spin-orbit Hamiltonian. I think the sum of diagonal values is
what arises in the total energy as SOC but I am also interested in the
off-diagonal terms which reflect the spin-orbit couplings of transition
between two states.


All the best,
M. Aghtar

--

Mortaza Aghtar, Ph.D. of Physics

Ulm Universität
Institut für Theoretiche Physik
Albert-Einstein-Allee 11
89081 Ulm, Germany
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