[Wien] Volume optimization

[Laurence Marks]

Volume optimization with SOC should work -- force optimization does not.

On Wed, Nov 6, 2019 at 10:45 AM prasad jayasena <prasad.j86 at yahoo.com>
wrote:

> Dear wien2k community
>
> Is it possible to do a volume optimization with SOC added? I tried adding
> -so in the optimize.job , but it crashed.
>
> Thank you
>
> Prasad
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
>
> https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=NuY611Ip3BXdQkR_tl7uDV6bYWe3Thkdjw_jyyixmeU&s=WNDlTOWv7DouCe50IpBEvOMFO91nUV4XxZKCUnIF1QY&e=
> SEARCH the MAILING-LIST at:
> https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=NuY611Ip3BXdQkR_tl7uDV6bYWe3Thkdjw_jyyixmeU&s=lVx6kzjXifw58aeGnCA1AZUa0hFP0MbD_LxgCZ8IltQ&e=
>


-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: www.numis.northwestern.edu/MURI
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20191106/d4e1dd30/attachment.html>