In this mini-tutorial you will study the effect a ring of
14C atoms embedded in a "regular" carbon nanotube on the thermal transport properties.
You will use the graphical user interface to set the structure and calculation up, but the part that makes this work requires Python scripting.
This tutorial really demonstrates some of the power that comes with having a direct programming interface to the core calculation engine.
Link:
Isotope impurity effect on a single-wall carbon nanotube
