How to remove periodic boundary conditions in VESTA

[张磊]

Hello,

I am wondering, even if I use POSCAR, how could VESTA change from periodic mode to non-periodic mode?

By that, I mean, delete the box boundary, and remove all periodically redundant atoms.

Another question is, sometimes after relaxation, the atoms run our of box. How to fold those atoms back into the original unit cell, for aesthetic purpose only?

Thanks,

[Somil Gupta]

Hi!

You can remove atoms by changing the boundary. (Object -> Boundary)
You can remove the box through Tyle -> Properties -> General

Best,