[Wien] Fixed Moment with SOC

[Paresh Chandra Rout]

My aim is to get a particular magnetic moment and its corresponding energy.
Which can only be done by fixing the magnetic moment . After getting the
desired magnetic moment and corresponding energy, my question is can I
restart  using SOC from the previous fixed moment calculation so that the
magnetic moment will not change (or will get MM around the desired value)
and will get the additional SOC effect also ?

On Tue, Mar 29, 2016 at 11:02 AM, Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> 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
> --------------------------------------------------------------------------
>
> _______________________________________________
> 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/20160329/856feebd/attachment.html>