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# NERSC Berkeley 2016

From Vaspwiki

## Contents

## Lectures

- DFT, PW, and PAW: "VASP: The basics. DFT, plane waves, PAW, ...". Video: Part1 and Part2

- Hybrid functionals: "VASP: Hybrid functionals". Video

- Dielectric properties: "VASP: Dielectric response. Perturbation theory, linear response, and finite electric fields". Video

- Beyond DFT: RPA: "VASP: beyond DFT. The Random-Phase-Approximation". Video

## Tutorials

- From Atoms to Bulk systems: A description of the examples "Atoms and molecules" and "Simple bulk systems".
- Surface Science: A description of the examples "A bit of surface science".
- Dielectric properties and RPA: A description of the examples "Dielectric properties and RPA".

## Exercises

### Atoms and molecules

O atom spinpolarized low symmetry

### Simple bulk systems

### A bit of surface science

partial DOS of CO on Ni 111 surface

vibrational frequencies of CO on Ni 111 surface

### Hybrid functionals

bandgap of Si using different DFT+HF methods

fcc Ni DOS with hybrid functional

### Dielectric properties and RPA

equilibrium volume of Si in the RPA

dielectric properties of Si using BSE