Manuals

• On-line version (trunk revision)
• Manual, trunk revision
• Manual, version 1.5.x
• Manual, version 1.4.x

On-line tutorials

• First runs with BigDFT
• Basis-set convergence in BigDFT
• Studying a surface
• Visualising output
• Scalability of BigDFT with MPI and OpenMP
• Acceleration example on different platforms
• Energy landscape exploration using BART
• Splined Saddle method
• Basics of Minima-Hopping
• Troubleshooting Minima-Hopping
• Bader Charge Analysis
• Post-processing Wannier functions
• Xanes: calculating the spectra of Quartz
• hacking inside BigDFT

Lessons and talks

Cecam tutorial — Daubechies Wavelets in Electronic Structure Calculation (19-21 October 2011, Grenoble, France)

Welcome to BigDFT code tutorial Electronic Structure Calculations, DFT and its Modern Implementations From wavelet theory to the BigDFT code Poisson Solvers with Interpolating Scaling Functions: Wavelets for Green's functions BigDFT code structure. User and Developer's viewpoints Multilevel parallelization in BigDFT BigDFT approach to High Performance Computing BigDFT - linear scaling

Some applications of the BigDFT code Charge Analysis: Atoms in Molecules Enhanced Splined Saddle method Structure prediction with the minima hopping method XANES calculation with BigDFT Linking of BigDFT with Wannier90 OpenCL: Programming Heterogeneous Architectures BigDFT Code Overview, Future Perspectives

Workshop — First Yarmouk School for computational condensed matter systems (31^st October 2010, Irbid, Jordan)

• Principles of BigDFT

Workshop — Numerical Methods in Density Functional Theory (23-25 July 2008, TU Berlin, Germany)

• The version of the BigDFT package for (partially) periodic system (Alexey Neelov)
• Numeric Methods in Density Functional Theory (Luigi Genovese)
• Daubechies wavelet as a basis set for DFT (Thierry Deutsch)

Cecam tutorial — Wavelets in electronic structure (26-30 November 2007, Lyon, France)

• Tutorial program
• First lecture (Day 1, Stefan Goedecker)
• Introduction to Multi-Resolution Analysis (Day 2, Reinhold Schneider, Fritz Krüger)
• Daubechies Wavelets, Interpolating Scaling Functions and Applications on PDEs (Day 2, Reinhold Schneider, Fritz Krüger)
• Accuracy, Convergence and Adaptivity of MRA's (Day 2, Reinhold Schneider)
• Daubechies wavelet basis in BigDFT: preconditioning and the magic filter approximation for potential energy (Day 3, Alexey Neelov)
• Introduction to the BigDFT library (Day 3, Damien Caliste)
• Poisson Solver, Pseudopotentials, Atomic Forces in the BigDFT code (Day 3, Luigi Genovese)
• BigDFT - performance and capabilities of the cubic version (Day 4, Luigi Genovese)