interlayer distance

[abhishek77492652]

how to find inter layer distance between two molecule in vnl atk?

[Petr Khomyakov]

You have to build the two molecule structure in the Builder, and then do total energy calculations, using one of ATK calculators. This will allow you to do geometry optimization to get an equilibrium separation distance between the molecules or between two molecular layers; in your post, it is not clear if you mean two isolated molecules or molecular layers.  Please search and read our online tutorials at http://docs.quantumwise.com/. As an example, you may have a look at this one, https://docs.quantumwise.com/tutorials/geometry_optimization/geometry_optimization.html?highlight=geometry%20optimization.

[abhishek77492652]

I have to find interlayer distance between Mos2 and graphene?

[Petr Khomyakov]

Then you may want going through this tutorial about finding a separation distance between two graphene monolayers https://docs.quantumwise.com/tutorials/dispersion_corrections_and_bsse/dispersion_corrections_and_bsse.html.