Скачать или смотреть Structure Optimization using VASP (Emil Jaffal)

In this tutorial, we walk through a structure optimization workflow using VASP with a random choice of a LaCoAl₄-type compound. You'll learn how to prepare input files, run the relaxation, and interpret the results to ensure a successful optimization using VASPKIT, or pick my INCAR template linked below.

🔧 Covered Topics:

POSCAR setup for LaCoAl₄-type structures
INCAR settings for relaxation
Brief KPOINTS explanation
POTCAR generation with VASPKIT
Structure optimization/relaxation
Checking convergence and relaxed geometry

📘 Step-by-Step Guide:
https://emiljaffal.github.io/VASP.html

This video is great for beginners working on DFT-based materials modeling and looking to understand the structure optimization process using VASP.

#VASP #DFT #StructureOptimization #MaterialsScience #LaCoAl4