Tutorials¶
If you are not familiar with ASE, consider going through the ASE Tutorials first.
The GPAW tutorials are meant to guide the user through some scripts. The first section of tutorials cover the most common tasks. The second section are intended as introduction to a number of advanced topics.
If you are new to GPAW, we recommend that you look at the introductory tutorals and at the Exercises.
Introductory tutorials¶
Specialized tutorials¶
- Calculating band gap using the GLLB-sc functional
- Electronic Band Structure Unfolding for Supercell Calculations
- Spin-orbit coupling
- Dipole-layer corrections in GPAW
- DFT+U theory
- Point group symmetry representations
- Jellium
- Bare Coulomb potential for hydrogen
- Muon Site
- Calculating the formation energies of charged defects
- Tutorial: STM images - Al(111)
- Bader Analysis
- Getting the all-electron density
- Obtaining all-electron wave functions and electrostatic potential
- Constrained DFT (cDFT)
- NEB calculations parallelized over images
- PBE0 calculations for bulk silicon
- XAS theory
- Linear dielectric response of an extended system
- The Quantum Electrostatic Heterostructure (QEH) model
- Quasi-particle spectrum in the GW approximation: tutorial
- The Bethe-Salpeter equation and Excitons
- Calculating RPA correlation energies
- Correlation energies from TDDFT
- Correlation energies within the range-separated RPA
- Ensembles
- Continuum Solvent Model (CSM)
- Orbital-free Density Functional Theory (OFDFT)
- Berry phase calculations
- Interface to Wannier90
- Solvated Jellium Method (SJM)