In this video, I demonstrate how to calculate the electronic band structure using Quantum ESPRESSO with graphene as a model system.
The tutorial covers:
Preparation of input files for band structure calculation
Selection of high-symmetry k-points for graphene
Self-consistent (SCF) and non-self-consistent (NSCF) calculations
Post-processing and plotting of the electronic band structure
Understanding the characteristic Dirac cone in graphene
This tutorial is part of my Quantum ESPRESSO tutorial series and is intended for beginners and researchers working in DFT and electronic structure calculations.
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QE Tutorial 9 | Electronic Band Structure Calculation in Quantum ESPRESSO | Graphene Example | NatokHD