VASP - 0 - Plan
In this series (begin with "VASP"), we will introduce the basic theory of VASP code and how it is implemented. The plan for this project is illustrated in below:
Part I - Fundamental Theory
In this part we will include:
- Density functional theory and Kohn-Sham formulation
- Fundamentals of solid state physics and plane-waves
- Projected-Augmented-Wave (PAW) method
Part II - Code implementation
In this part we will include:
- Understanding main.F function
- Understanding self-consistent loop (electronic cycle)
- Understanding ionic cycle