How to Install Quantum ESPRESSO on Linux (2025) | Easy Step-by-Step DFT Tutorial скачать в хорошем качестве

How to Install Quantum ESPRESSO on Linux (2025) | Easy Step-by-Step DFT Tutorial

Learn how to install Quantum ESPRESSO on Rocky Linux with this easy step-by-step tutorial. Perfect for beginners in computational materials science, physics, and chemistry. What You'll Learn: ✅ Install Quantum ESPRESSO on Rocky Linux 9/8 ✅ Set up Conda environment for QE ✅ Configure qe-tools and dependencies ✅ Run your first DFT calculation Timestamps 00:00 - Update Rocky Linux System 01:25 - Download Anaconda (Python) 08:59 - Install Anaconda on Linux 11:35 - Configure System Path (.bashrc) 12:53 - Setup Conda Channels (Conda-forge) 15:46 - Create Quantum Espresso Environment 16:31 - Install Quantum Espresso Package 18:45 - Verify Installation (pw.x) 24:46 - Prepare Silicon (Si) Test Input 26:08 - Download & Install Pseudopotentials 28:50 - Run First Calculation (SCF) 30:28 - View Successful Calculation Output Commands Used: Update Rocky Linux sudo yum update && sudo yum upgrade -y Install Conda (Miniconda) wget https://repo.anaconda.com/miniconda/M... chmod +x Miniconda3-latest-Linux-x86_64.sh ./Miniconda3-latest-Linux-x86_64.sh Create and activate environment conda create --name qe_env python=3.9 -y conda activate qe_env Install Quantum ESPRESSO conda config --add channels conda-forge conda config --set channel_priority flexible conda install qe -y conda install qe-tools -y Verify installation which pw.x Related Videos: • Quantum ESPRESSO First Calculation Tutorial • DFT Basics for Materials Science • Linux for Computational Scientists Helpful Links: Quantum ESPRESSO Official Docs: https://www.quantum-espresso.org Rocky Linux Installation Guide: https://rockylinux.org Who is this for? Students and researchers in materials science, condensed matter physics, quantum chemistry, and computational science who want to perform DFT calculations on Rocky Linux or RHEL-based systems. #QuantumEspresso #RockyLinux #DFT #ComputationalPhysics #MaterialsScience #LinuxTutorial #QuantumChemistry #AbInitio Don't forget to LIKE if this helped you, and SUBSCRIBE for more computational science tutorials!