[Wien] How to flip the spins in instgen_lapw

Madhav Ghimire ghimire.mpg at gmail.com
Sat Jul 7 04:26:22 CEST 2012


Dear Prof. Steefan,
   Now my structure is working fine. The absolute direction doesn't matter
to me but of course I am trying to view the picture of spins of the
selected atoms under various AFM configuration like neel, stripe and
zigzag. I mean if I can show the spin up as *↑ *and spin down as* **↓* in
my crystal structure, it will be easy to understand.
Thanks a lot for your useful comments
M. P. Ghimire

On Fri, Jul 6, 2012 at 6:55 PM, Stefaan Cottenier <
Stefaan.Cottenier at ugent.be> wrote:

>
>  Now I am able to perform as per your suggestions. The idea of
>> determining the spin direction is excellent. It means with Xcrysden,
>> we cannot check the spin direction. Any idea about other software
>> which identifies the spin direction.
>>
>
> This is not a 'problem' of xcrysden, it is a fundamental one: without
> including spin-orbit coupling, you can distinguish between 'up' and 'down'
> (or majority/minority, or red/blue, or ...), but these do not refer to any
> absolute direction in space.
>
> If the absolute direction really matters for you (usually it doesn't),
> then either add spin-orbit coupling or use the non-collinear version of
> wien2k (wienncm).
>
> Stefaan
>
> ______________________________**_________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.**at <Wien at zeus.theochem.tuwien.ac.at>
> http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
>



-- 
M. P. Ghimire
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120707/9e5184d7/attachment-0001.htm>


More information about the Wien mailing list