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