bond length of Carbon bond in graphene using DFT

[syakirah]

I would like to ask how to find the bond length of Carbon-Carbon bond in graphene when simulate with DFT. Thank you.

[zh]

Once your know the atomic positions (cartesian), you may calculate the atom distance between two atoms quickly by the python script.

[syakirah]

okay, thank you for your reply. 

[syakirah]

where can i find the phyton script?

[Jess Wellendorff]

You can also simply visualize your configuration in the VNL Viewer, and then use the mouse to "hover" over the relevant bond(s). A dialog box will then show you the bond length.

[syakirah]

okay, thank you for the reply.

[Shan]

use "Z-matrix" option that appears in the "Coordinate tools" of Builder. click on the two atoms between which you want to calculate the bond length holding ctrl button.