[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
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