Carbon Nanotube Properties Calculator

This repository contains a Python script to calculate various properties of single-walled carbon nanotubes (SWCNTs) based on their chiral indices ( n ) and ( m ). The program calculates the radius, chiral angle, chirality, translational repeat unit, and high-symmetry points in the Brillouin zone for a given nanotube.

Features

• Radius Calculation: Computes the radius of the SWCNT using the chiral indices.
• Chiral Angle: Determines the angle based on the chiral vector.
• Chirality Type: Identifies whether the nanotube is armchair, zigzag, or chiral.
• Translational Repeat Unit: Calculates the length of the unit cell along the nanotube axis.
• High-Symmetry Points: Provides coordinates of (\Gamma) and (Z) points in the Brillouin zone.

Usage

1. Run the script and input the chiral indices ( n ) and ( m ) when prompted.
2. Optionally, enter a custom lattice constant, or press Enter to use the default value of 0.246 nm.

Example

The output will display the calculated properties of the SWCNT.

Requirements

• Python 3