[Wien] Non-magnetic calculations

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Sat Feb 27 12:44:26 CET 2016


Hello Komal
run_lapw represents simple scf calculation which does not include any
magnetic/SO/SP effect while runsp_c_lapw should be invoked if you are using
spin polarised complex calculation.

Regards
Bhamu
On 27-Feb-2016 4:46 pm, "Dr. Komal Bapna" <komal.bapna at gmail.com> wrote:

> Dear Wien users
>
> I want to get the non-magnetic ground state of a system. I am not able to
> find if there is any difference between run_lapw and runsp_c_lapw commands.
> Which command I should use.
>
> Regards
>
> _______________________________________________
> 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
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160227/7b9f7b8c/attachment.html>


More information about the Wien mailing list