[Wien] HFF

[Stefaan Cottenier]

>Thank you for your valuable comment. Yes, I have
>calculated only Fermi contact hyperfine field taking
>gradually spin-orbit interaction into account. I am
>going now to apply LDA+U where lapwdm will be also
>self consistently applied.
>  
>
Note that even with LDA+U you still have to run lapwdm with the '3 3' 
and '3 5' options after the scf cycle to get the orbital and dipolar fields.

>However, we could calculate HFF using wien97 code
>where LDA+U and so lapwdm were not implemented, right?
>  
>
The :HFF label in wien97 had the same meaning: only the contact field. I 
don't remember any more whether orbital and dipolar fields could be 
calculated already in that version, but if it could be done it was not 
by lapwdm but by a program with another name (but similar content), 
which had to be run after the scf cycle as well.

Stefaan