Phonon Dispersion, Vibrational, and Thermodynamic Properties with thermo_pw.x |Quantum ESPRESSO code скачать в хорошем качестве

Phonon Dispersion, Vibrational, and Thermodynamic Properties with thermo_pw.x |Quantum ESPRESSO code

#thermo_pw.x #thermo_pw #QuantumESPRESSO #QuantumESPRESSO_tutorial #thermo_pw_QuantumESPRESSO #DFT_tutorial #phonon_dispersion_thermo_pw #thermodynamics_properties_thermo_pw #thermodynamics #vibrational_properties #thermalproperties #automatic_DFT_workflow #DFT_plotting_thermo_pw #publication_ready_plots_DFT #computational_materials_science #materials_modeling_tutorial #QuantumESPRESSO #thermoPW #Phonons #VibrationalProperties #Thermodynamics #DFT #MaterialsScience #LatticeDynamics #QHA #ComputationalMaterials #deobratqmatx In this tutorial, I demonstrate how to calculate and plot the Phonon Description spectra, Vibrational, and Thermodynamic Properties of materials using the thermo_pw.x executable, part of the thermo_pw software package that works as an interface with Quantum ESPRESSO code. With just one input file, thermo_pw.x automatically: Prepares all necessary Quantum ESPRESSO input files Runs the required calculations (through QE executables) Collects and processes the results Produces high-quality .ps plots, ready for direct use in research papers This automated workflow saves time, reduces manual errors, and provides publication-ready figures for: Phonon dispersion spectra Phonon density of states Vibrational, and Thermodynamic Properties This video is the second part of my thermo_pw series. Upcoming videos will cover: Elastic constants and moduli Optical spectra Grüneisen parameters 🔔Subscribe and follow along to learn computational materials science with DFT using thermo_pw.x + Quantum ESPRESSO. ================================================= If you are interested in content on DFT simulations, molecular electronics, DNA and amino acid sequencing, catalysis, energy harvesting, and next-generation battery technologies, then you are at right place. #MaterialsScience #DFT #Nanotechnology #MolecularElectronics #BioNanotechnology #DNANanotech #EnergyResearch #GreenHydrogen #Catalysis #Batteries #EnergyHarvesting 🌍 In this Channel you will find: -Density Functional Theory (DFT) & Atomistic Simulations -Computational approaches for Materials Discovery -Hydrogen Production & Electrochemical Catalysis (HER, ORR, OER) Nanogenerators and Energy Harvesting Devices Rechargeable Batteries (Li, Na, Mg, Metal–Air) -Molecular Electronics & Bio-Nano Interfaces -DNA and Amino Acid Sequencing with Computational Tools 🔗 Connect With Me ✉️ deobratqmatx@gmail.com 📖 https://github.com/deobratsingh9/Them... 📖 Google Scholar: https://scholar.google.com/citations?... 📘 ResearchGate: https://www.researchgate.net/profile/... 💼 LinkedIn:   / deobrat-singh-b19976186   📘 Facebook:   / deobratqmatx   🌐 Personal Website/Portfolio: https://www.kth.se/profile/deosing 📌 Support the Channel 👉 Don’t forget to Subscribe for tutorials, research explainers, and updates on cutting-edge discoveries in materials science, nanotechnology, and sustainable energy. 🔔 Turn on notifications to never miss an upload!