In this project, I present calculaions and visualization of an armchair (30,30) carbon nanotube with an attached half ring of 78 carbon atoms.
This is a continuation of Omri Adler's study of vibrating nanotubes
with additional adsorbed mass
The electronic density was calculated with DFT by Quantum Espresso and visualized with AViz, according to the method developed by Bastien Grosso
If you are only interested in recreating my results on Tamnun, you can use the "Instructions for dummies" tab, but if you wish to understand the process and/or want to perform a similar but not identical calculation, you should use the "Detailed step-by-step explanation" tab.