Material Studio DFT Tutorial 1: Complete Guide to Optical, Band, DOS, PDOS & Elastic Properties

Описание: Welcome to Material Studio DFT Tutorial 1, your all-in-one introduction to performing complete first-principles (DFT) property analysis in BIOVIA Material Studio.
In this video, we explore everything — from band structure to optical properties, density of states (DOS & PDOS), and elastic constants, including an introduction to the ELATE tool for elastic tensor visualization.

This tutorial is designed for students, researchers, and engineers aiming to understand how multiple physical properties interconnect within a single Material Studio workflow. You’ll learn the logic behind each step, not just the clicks — building a foundation for deeper computational materials research.

📈 What You’ll Learn:
How to set up and analyse band structure & DOS using CASTEP
The relationship between the band gap and the optical response
Step-by-step elastic constant calculation and how to visualise results with ELATE
How to combine multiple DFT analyses in one efficient project

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