A fast and precise DFT wavelet code
Here is a exhaustive list of available on-line tutorials, ordered by theme.
- First runs with BigDFT;
- Basis-set convergence;
- Studying a surface;
- Performing spin calculations;
- Including dispersion interactions.
Configuration space exploration
- Visualizing outputs;
- Bader charge analysis;
- Post-processing Wannier functions;
- Xanes: calculating the spectra of Quartz.
- Fitting pseudopotentials;
- Hacking inside BigDFT;
- Time dependent DFT and FEAST solver.
- Inserting a new input variable in the code
- Inserting a new test in the distribution
- Molecular Dynamics using BigDFT
Pages in category "Tutorials"
The following 15 pages are in this category, out of 15 total.