The Gaussian Calculation Setup PBC Panel

The PBC panel is used to specify options to the Gaussian PBC keyword. Checking the Use PBC box causes the translation vectors to be added to the molecule specification. This is the default when a unit cell has been defined with the Crystal Editor. The panel is disabled for non-periodic systems.


The PBC Panel

The Use PBC checkbox causes the translation vectors to be placed in the molecule specification. After you select the option above, an additional field for specifying the number of K-points will appear.

Additional information about building crystal structures with GaussView:

Tutorials

Interface

See here for a list of equivalent G16 Keywords for Gaussian Calc. Setup selections.