- VASP Input Files: POSCAR, INCAR, KPOINTS
- Density of States
- Electronic Bandstructures (G-M-K-G)
🔮 Go to the Website
With just a few clicks, you can generate the atomic structures of carbon nanotubes. No installation required!
Phonopy allows you to get the phonon dispersion.
$phonopy -d --dim 2 2 2
This gets us a set of supercells.
$bash B001_phononJobAuto.sh
Run this script to automatically assign cluster jobs for phonon calculations. My script may be more efficient when Phonopy provides more than 10 structures.
