[CP2K-user] [CP2K:17775] Re: FIXED_ATOMS and MULTIPLE_UNIT_CELL
mdsimula...@gmail.com
mdsimulationgroup at gmail.com
Wed Sep 28 18:03:34 UTC 2022
Ok, I tested if the two worked together and they do not.
On Wednesday, September 28, 2022 at 1:07:01 PM UTC-4 mdsimula... at gmail.com
wrote:
> Hi,
>
> If I define fixed atoms for a single unit cell and then use
> multiple_unit_cell, will those atom numbers translate to the new supercell?
>
> Thanks,
> Frank
>
--
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/c2e12354-be69-4550-8661-7306f75fb3fcn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220928/eb0bc385/attachment.htm>
More information about the CP2K-user
mailing list