Dear WIEN2k users Hi. I am studying some materials which have strong spin-orbit coupling (SOC) effects.
What I want to do is a modeling with simple SOC form, such as H_so → ξvec[L]·vec[S]. I read some lecture notes, and noticed that WIEN2k works with Dirac relativistic treatment in LAPWSO. Question1) Can LAPWSO print out vec[L] (i.e., with three components) for each k-point? ================================================== I also realized that one can get vec[L] for each k-point from LAPWDM (with some modification of the code). Question2) With 「vec[L] & vec[S] from LAPWDM」 and 「ξ from LAPWSO」, is it possible to make a model, H_so → ξvec[L]·vec[S]? ================================================== Any comment will be very helpful for me. Thank you for reading this e-mail, and have a nice day. - Kyohn
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