[RMCProfile-users] Folding of unit cell
Eric O'Quinn
eoquinn1 at vols.utk.edu
Thu Feb 9 12:26:02 GMT 2023
Sumit
If you use crystalMaker, you can open an rmc6f directly and use the “collapse supercell” tool to do this.
Eric
> On Feb 8, 2023, at 11:56 AM, Sumit Khadka via rmcprofile-users <rmcprofile-users at shadow.nd.rl.ac.uk> wrote:
>
> Is there a way to get a refined configuration folded onto a single unit
> cell directly from the .rmc6f files?
> eg. Figure 9 on this paper by Zhang:
> https://doi.org/10.1107/S1600576720013254
>
> Sincerely,
>
> Sumit Khadka
> -------------- next part --------------
> An HTML attachment was scrubbed...
> URL: <https://lists.rmcprofile.org/pipermail/rmcprofile-users/attachments/20230208/9355f8bd/attachment.htm>
> _______________________________________________
> rmcprofile-users mailing list
> rmcprofile-users at rmcprofile.org
> http://lists.rmcprofile.org/mailman/listinfo/rmcprofile-users
More information about the rmcprofile-users
mailing list