How to Analyze CASTEP Output in Material Studio | DFT Optimization Results Explained Step-by-Step скачать в хорошем качестве

How to Analyze CASTEP Output in Material Studio | DFT Optimization Results Explained Step-by-Step

Welcome to the Computational Chemistry Course – a complete guide from beginner to advanced level! 🚀 In this video, learn how to analyze CASTEP output files in Material Studio after performing DFT optimization. We’ll go through the complete process of understanding energy convergence, optimized structure results, stress, forces, cutoff energy, and k-points from CASTEP output. Whether you’re working on 2D materials, MXenes, or nanomaterial simulations, this tutorial helps you interpret your DFT optimization results with confidence. By the end, you’ll be able to verify if your CASTEP run is converged successfully and extract meaningful physical insights from the output data. 📘 What You’ll Learn: How to open and read CASTEP output files in Material Studio Step-by-step analysis of DFT optimization results Understanding total energy, stress, and forces Checking convergence criteria and cutoff energy effects Troubleshooting non-converged calculations Useful tips for MXene and nanomaterial DFT studies 🔔 Subscribe for more tutorials on DFT, CASTEP, VESTA, and computational chemistry tools! Follow me on: LinkedIn: / samreen-kousar-7625221b0 Facebook: / samreen.kousar.925 Instagram: / samreen.kousar.925 #CASTEPOutput #MaterialStudio #CASTEPAnalysis #DFTResults #CASTEPOptimization #EnergyConvergence #GeometryOptimization #DensityFunctionalTheory #DFTExplained #MaterialStudioTutorial #ComputationalChemistry #TotalEnergy #DFTOutput #CASTEPResults #DFTStudy #MXeneResearch #2Dmaterials #NanomaterialSimulation #QuantumChemistry #ResearchTutorial