[Wien] Fixed Moment with SOC

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Mar 29 07:32:33 CEST 2016


No, this is not implemented.
Spin-orbit mixes spin-up and dn for a single eigenvalue and thus makes 
it much more difficult.

On 03/25/2016 07:24 AM, Paresh Chandra Rout wrote:
> Dear all,
> I have a  small query. Can I do a fixed moment calculation with SOC in
> Wien2k 14.2 version ?
>
>
>
> Kind Regards
> Paresh Ch Rout
> Research Scholar
> Indian Institute Of Science Education and Research Bhopal
>
>
>
> _______________________________________________
> 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.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/staff/tc_group_e.php
--------------------------------------------------------------------------


More information about the Wien mailing list