[Wien] Reg: Band structure with SOC for spin polarised case

[Peram sreenivasa reddy]

Hi,
the following link will useful.

https://www.mail-archive.com/search?q=Error+while+running+band+structure+SP%2BSO+case+in+parallel&l=wien%40zeus.theochem.tuwien.ac.at

On Tue, Apr 16, 2019 at 10:14 AM Gavin Abo <gsabo at crimson.ua.edu> wrote:

> Sorry, too busy at the moment to search in the mailing list archive
> using the search box to find where it likely was previously posted at:
>
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/maillist.html
>
> Check w2web, the :log or .dayfile from the scf to get an idea of
> commands needed:
>
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06561.html
>
> The DFT+SO should be similar to the DFT+SO+U, but you need to drop the
> -orb.  Refer for example to:
>
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17735.html
>
> On 4/15/2019 10:13 PM, Karthika Menon wrote:
> > Dear forum,
> >
> > I am new to WIEN2k . Kindly let me know the procedure (sequence of
> > commands) for obtaining the band structure with SOC for spin polarised
> > case.
> >
> > Thanks
> > Karthika Menon
> > Research Scholar,
> > Department of Physics,
> > Indian Institute of Technology Hyderabad -502285
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>


-- 
*P.V.SREENIVASA REDDY*
*Post Doctoral Research Fellow*
*Department of Physics, *
*Physics Building 2,*
*NCKU, Tainan, Taiwan*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190416/ab7a6903/attachment.html>