Periodic Boundary Conditions in Gaussian Cube Files

[Christian Vorwerk]

Hello,

in version 3.1.8 VESTA stopped applying periodic boundary conditions to Gaussian cube files. Some codes, such as WEST and EXCITING, use Gaussian cube files for the output of crystals with periodic boundary conditions, and the files can not be visualized correctly without these conditions.

Is it possible to revert the feature and to apply periodic boundary conditions to Gaussian cube files again?

Thank you for your help!

[Stefano Battaglia]

4 years later, I am stumbling upon the same problem. I have a Gaussian cube file of a periodic system, and when I change the boundary to replicate the system, the isosurface gets replicated, but not the atoms.

It would be nice if there was a way to replicate also the atoms.

Thanks