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QE Tutorial 8 | How to calculate charge density

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Dec 22, 2025
13:38

In this tutorial (QE Tutorial 8), I demonstrate how to calculate and visualize electron charge density using Quantum ESPRESSO. Using graphene as an example, I explain: How to obtain electron charge density from self-consistent field (SCF) calculations Generation of 3D charge density Extraction and visualization of 2D (planar-averaged) charge density Practical use of post-processing tools like pp.x Interpretation of charge density plots for low-dimensional materials This video is especially useful for students and researchers working on DFT calculations, 2D materials, and electronic structure analysis using Quantum ESPRESSO. 📚 This tutorial is part of an ongoing Quantum ESPRESSO learning series, aimed at helping beginners understand DFT concepts through practical examples. If you find this video helpful, consider liking, sharing, and subscribing to support the channel. #QuantumESPRESSO #DFT #DensityFunctionalTheory #ChargeDensity #Graphene #2DMaterials #ElectronicStructure #ComputationalPhysics #ComputationalMaterials #FirstPrinciples #DFTCalculations #PhysicsTutorial #MaterialsScience #AbInitio

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QE Tutorial 8 | How to calculate charge density | NatokHD