DFT TutorialsΒΆ
- MyBigDFT tutorials
- Manipulate BigDFT input files
- Run BigDFT and manipulate its output files
- Convergence classes
- Compute the electronic polarizability tensor
- Compute the phonons and the Raman spectrum
- Compute the phonons and the infrared spectrum
- Compute the vibrational polarizability tensor
- Dissociation curve
- Geometry optimization
- Exercises