[Wien] LDA+U and external magnetic field

[Avijeet Ray]

>
> Dear Wien2k community and Prof. Blaha,
>
>  I am trying to do a calculation using both LDA+U and external magnetic
> field simultaneously. I have seen previous emails regarding this. There is
> an old email where it is suggested how to  implement  both LDA+U and
> external magnetic field.
>

 http://wien.zeus.theochem.tuwien.ac.narkive.com/QtGeqKM4/
lda-u-external-field

There it is also suggested that spin orbit calculation (SO) should be
> performed . I want  to know, is it necessary to do a SO calculation? Since
> the email is quite old, is there any recent update in wien2k in this regard?
>


>  Moreover if someone can provide me the steps to do such a calculation it
> will be very helpful as it is not in the user guide and not much discussed
> in the mailing list.
>

   Any help would be highly appreciated,

  Thanking you
   Avijeet



-- 
Avijeet Ray
Research Scholar
Department of Physics
Indian Institute of Technology Roorkee
Roorkee -247667
Uttarakhand
India
Mob: +91 8938908313
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20161017/c04242bc/attachment.html>