This set of tutorials will guide you in the exploration of Siesta’s features.
Before you do anything else, start here. You need to set up your local working environment to follow the tutorial.
Basics of Siesta¶
This section is recommended for all beginners, and also as a refresher for more experienced users.
Intermediate and Advanced Topics¶
This section provides deeper introductions to relevant topics.
- Molecular Dynamics
- Spin-Orbit coupling
- Polarization calculations with the Berry-phase approach
- DFT+U calculations
- Time-Dependent Density-Functional Theory
- Wannier functions
- Generation and testing of pseudopotentials
- Advanced analysis of the electronic structure
- Introduction to sisl
- Advanced topics in phonons
- The Lua scripting engine
- Calculation of optical properties
- Computing magnetic interaction parameters with TB2J
- Simulation of STM images
- Nudged Elastic Band (NEB) Calculations
- Band Unfolding in Siesta
- SIESTA Deployment Options
- AiiDA Siesta
- TranSIESTA introduction