/MoS2-band-structure

Band structure of bulk 2H-phase MoS2

Primary LanguageGnuplot

Band Structure and Phonon calculations in Quantum Espresso and VASP

This repo provides files for electron band structure calculations and phonon calculations of bulk 2H-phase MoS2 for both Quantum Espresso and VASP.

Detailed tutorials for using both VASP and Quantum Espresso to compute electronic band structure and phonons can be found here.