[Wien] Ferrimagnetic calculation

[Stefaan Cottenier]

>                              We want to do a calculation on [A][B]O4
> type  ferrimagnetic material where [A] & [B] are two sublattices having
> opposite spin orientations. Now my question is:
>
> Whether we can do this calculation by modifying case.inst file
> accordingly (making [A] and [B] spin opposite) and choosing
> *ferromagnetic calculation*?
>
>                                                            OR
>
> We have to go for *antiferromagnetic calculation* and then we should
> modify the case.inst file accordingly?

An antiferromagnetic calculation (runafm_lapw) is only possible when you 
have moments that are exactly opposite. For a ferrimagnetic case you 
need to put the proper moments in case.inst, and do a normal 
spin-polarized calculation (runsp_lapw).

Stefaan