[Wien] hyperfine parameters

[Stefaan Cottenier]

>   I want to investigate the hyperfine parameters, such as isomer shift
> (IS), magenetic hyperfine fields (Bcontact,Borb,Bdip), quadrupole
> splitting (*e*QVzz). However, in my result, I only find the
> quantities of EFG and HFF in case.scfm. I also need Borb, Bdip
> quantities, can someone tell me how to find these quantities in my
> output files? Maybe my calculation process of hyperfine parameters are
> wrong (  I add the file case.indm, case.inorb and case.indipan to run
> SCF calculation ), I need someone give me details about how to calculate
> these hyperfine parameters, thank you very much !

Have a look at

http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/hyperfine-interactions.pdf

where you will find all of these properties discussed, always followed 
by a slide about 'how to do it in wien2k' (including references to the 
relevant sections of the usersguide). That will probably answer most of 
your questions.

Stefaan