# Tutorials and exercisesΒΆ

If you are not familiar with ASE, consider going through the ASE Tutorials first.

The GPAW tutorials and exercises are meant to guide the user through some scripts. The first section of tutorials cover the most common tasks. Further topics are organised by topic. Pick among them according to your interest.

The exercises are used in the course Electronic structure methods in materials physics, chemistry and biology.

- Basics and structure optimization
- Energetics
- Electronic structure
- Density Of States
- Density of states
- Calculation of electronic band structures
- Band structure
- Electronic Band Structure Unfolding for Supercell Calculations
- Spin-orbit coupling
- Berry phase calculations
- Calculating band gap using the GLLB-sc functional
- G0W0 calculation of the band gap of silicon
- PBE0 calculations for bulk silicon
- Tutorial: STM images - Al(111)
- STM simulations
- Electron transport

- Electrostatics and -dynamics
- Magnetic properties
- Molecular dynamics
- Optical response
- Time-propagation TDDFT
- Time-propagation TDDFT with LCAO
- Linear response TDDFT
- Linear response TDDFT 2 - indexed version
- Induced density oscillations and electric near field from TDDFT
- Circular dichroism with real-time TDDFT
- Calculation of optical spectra with TDDFT
- Linear dielectric response of an extended system
- Nonlinear optical response of an extended system
- The Quantum Electrostatic Heterostructure (QEH) model
- Electron energy loss spectrum of silver
- Quasi-particle spectrum in the GW approximation: tutorial
- The Bethe-Salpeter equation and Excitons
- Simulating an XAS spectrum

- Vibrational properties
- Wave functions and charge transfer
- Frequently asked exercise questions

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