d-wortmann
d-wortmann
To revitalize the discussion I would like to stress that my concerns expressed in #230 also applies here :-)
I do not understand the comment that the Spin-Orbit is tied to a treatment magnetism. While of course the SOC adds spin-offdiagonal contributions to the Hamiltonian the system nevertheless can...
> SOC always requires a noncollinear calculation, at least this is what QE is doing. But isn't this exactly the point here? Just because these features are tied in QE...
I would like to stress again my concern about exposing too many parameters in the commonWF interfaces. I understand that it can be useful to have such functionality in order...
I think it is mostly a question of purpose and design. In my opinion, the common workflows should facilitate users to be able to perform specific simulations with different codes...