Introduction
Chapter 1 Installation & Preparation
- General VASP version
- VASP+VTST Installation
Chapter 2 Vasp Input & Output File
- INCAR
- other
Chapter 3 Convergence & Optimization
Chapter 4 DOS & Band Structure
Chapter 5 Reaction Path
Chapter 6 VASP Mannul Review
- DFT+U Calculation
- SOC (Spin-orbital Coupling)
Chapter 7 VASP Ab initio MD
Chapter 8 Tools collection $Alfheim$：vaspkit
Chapter 9 Tools collection $Muspellheim$: pymatgen
Chapter 10 Tools collection $Mannheim$: ASE
Chapter 11 Tools collection $Vanaheim$: CatMAP & CatAPP & Catlearn
- Installation
- CatMAP
- CatAPP
- Catlearn
Chapter 12 Tools collection $Svartalfheim$: Tamkin
Chapter 13 Tools collection $Neohero$: Pymatflow
- Installation
- VASP
Chapter 15 Tools collection $Anonyous$
- ELASTOOL
- PHASEGO
- MUSE
Published with GitBook

Chapter 7 VASP Ab initio MD

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