VASP Geometry Optimization | Full Tutorial (INCAR, POSCAR, POTCAR, KPOINTS) | #vasp #DFT

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VASP Geometry Optimization | Full Tutorial (INCAR, POSCAR, POTCAR, KPOINTS) | #vasp #DFT

In this tutorial, you'll learn how to perform geometry optimization (structural relaxation) in VASP from start to finish. I'll walk you through all four required input files: INCAR, POSCAR, POTCAR, and KPOINTS — explaining every key parameter you need to get accurate, converged structures for your DFT calculations. Perfect for beginners and researchers working on bulk materials, surfaces, or 2D systems.

INCAR File: https://drive.google.com/file/d/12FUZE35Vfe_aNixZ_egzqAsT_xokLAnU/view?usp=drive_link
Resources and Materials: https://drive.google.com/drive/folders/1N4qQ6XYxKKm6ePbQUNV3tKcn3pAaBmVA?usp=drive_link

🎯 **Why This Tutorial Will Help You:**
• Learn how to set up and run geometry optimization in VASP from scratch.
• Follow a clear, step‑by‑step workflow using the four VASP input files.
• Avoid common mistakes like wrong ENCUT, ISIF, or EDIFFG values.
• Save hours of trial and error with professional guidance and ready‑to‑use templates.

📌 **Video Chapters:**
00:00 – 4 Input Files
00:40 – Understanding the Workflow
01:20 – POSCAR file
04:30 – INCAR
08:20 – KPOINTS and POTCAR
09:00 – Job Submission
09:30 – Interpreting OUTCAR & CONTCAR

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⚠️ **Disclaimer:**
This tutorial is for educational purposes only. VASP (Vienna Ab initio Simulation Package) is commercial software that requires a valid license. I do not provide, host, or distribute any cracked or unauthorized copies of VASP. You must obtain your own license from the VASP Software GmbH. The INCAR templates and workflows shown are my original educational content and are meant to help licensed users learn the software. Always respect software licensing agreements and copyright laws.

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Видео VASP Geometry Optimization | Full Tutorial (INCAR, POSCAR, POTCAR, KPOINTS) | #vasp #DFT канала Materials Made Easy