Gabriel WlazłowskiGeneral info
- Types of codes
- Installing the toolkit
- Folders structure
- W-data format
- Integration with VisIt
- Auxiliary tools
Using codes
- Setting up calculations
- Computation domain
- Accessing physical quantities
- Functionals
- External potentials
- User defined parameters
Static codes (st-wslda)
- Setting up diagonalization engine
- Memory usage
- Constraining densities and potentials
- Controlling convergence
- Broyden algorithm
- Fixed particle number and fixed chemical potential modes
- Strict 2D or 1D modes
- Examples