Introduction to ab-initio simulation in VASP | VASP Lecture

In this lecture, Martijn Marsman gives an introduction to density-functional theory (DFT) and the projector-augmented-wave (PAW) method.
0:00 Introduction of the speaker
0:00:54 Beginning of the presentation
0:05:19 DFT
0:09:40 Exchange-correlation energy
0:12:08 Bloch functions
0:18:58 Free molecules, surfaces, slabs
0:20:58 Total energy, kinetic energy, Hartree energy, Kohn-Sham equations
0:22:59 Representation of Kohn-Sham orbitals, plane-wave-basis set
0:26:34 Concept of real space and reciprocal space (Fast-Fourier transformation, cutoff energy)
0:36:16 PAW method
0:52:15 Quality of PAW potentials, transferability of pseudopotentials
0:55:27 Local basis set
1:00:00 Decomposition into pseudo, pseudo-on-site and all-electron-on-site contributions, examples: Kohn-Sham orbitals, kinetic energy
1:03:08 Local operators
1:04:37 Q&A
1:04:56 What is the difference between norm-conserving pseudopotentials and ultra-soft pseudopotentials?
1:07:28 How is the relationship between pseudo-basis and real-basis functions defined?
1:09:02 How large should the cell size be in a calculation considering defects, vacancies, etc.

[@zhecheng8022]

Mostly about the approximation method behind VASP - might be too theoretical for beginning VASP users

[@AIBEM2R]

I would like to ask a question about GW pseudopotential. I could not find out how GW-based PSP are generated? Are they generated using the GW Hamiltonian or not? I haven't read any papers so I am completely ignorant. To me, the name suggests that it must have been generated via GW formalism which in turn requires PAW. Thanks for giving me the reference or any tutorial.

[@SarfrazAhmad-qg3tx]

Can you help me to calculate quantum capacitance using vasp