[Wien] AFM calculations with spin-orbit coupling
Stefaan Cottenier
stefaan.cottenier at fys.kuleuven.ac.be
Fri Apr 1 08:50:37 CEST 2005
> I am wondering if WIEN2K would be able to do the AFM calculations with
> spin-orbit coupling? According to the User's Guide page 46, AFM
> calculations does not work with spin-orbit coupling in WIEN2K. If this
> is true, then how can we do the AFM calculations with sin-orbit coupling
> in WIEN2K manually ? Thanks a lot for your help !
See the FAQ at http://www.wien2k.at/reg_user/faq/afm.html , and skip
step 5 (=> run with run_lapw -so and not with runafm_lapw). The price is
that your calculation time will be twice as much compared to a situation
in which you could have used runafm.
Stefaan
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