[CP2K-user] [CP2K:17492] Spin Orbit Coupling & CP2K 5.1

[ma455...@gmail.com]

Hi,

I'm wondering is spin-orbit coupling available now in version cp2k/2022.1?

Regards,
Hongyang

在2019年11月18日星期一 UTC+11 19:36:28<jgh> 写道：

> Hi
>
> there is no spin-orbit coupling in CP2K (also in newer versions).
>
> regards
>
> Juerg Hutter
> --------------------------------------------------------------
> Juerg Hutter Phone : ++41 44 635 4491 <+41%2044%20635%2044%2091>
> Institut für Chemie C FAX : ++41 44 635 6838 <+41%2044%20635%2068%2038>
> Universität Zürich E-mail: hut... at chem.uzh.ch
> Winterthurerstrasse 190
> CH-8057 Zürich, Switzerland
> ---------------------------------------------------------------
>
> -----cp... at googlegroups.com wrote: -----
> To: "cp2k" <cp... at googlegroups.com>
> From: "Jiajia Yang" <1840490... at gmail.com>
> Sent by: cp... at googlegroups.com
> Date: 11/16/2019 09:16AM
> Subject: [CP2K:12498] Spin Orbit Coupling & CP2K 5.1
>
> Hello everyone, 
> I want to calculate spin-orbit coupling, but I don't find the related 
> parameters. I want to know can cp2k 5.1 calculate spin orbit coupling and 
> how to calculate SOC with CP2K 5.1?
> Thanks!
>
>
> Jiajia Yang
> 2019.11.16
>
>
> -- 
> You received this message because you are subscribed to the Google Groups 
> "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an 
> email to cp2k+uns... at googlegroups.com.
> To view this discussion on the web visit 
> https://groups.google.com/d/msgid/cp2k/b628e60e-861b-487d-923d-4b78e93b1291%40googlegroups.com
> .
>
>

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/c2f77025-d9ca-4779-8e0e-0877dbaaa3ebn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220815/85b718c0/attachment-0001.htm>