Keywords: user_guide

Next: 4.1 Plotting selected quantities Up: User's Guide for the Previous: 3 Compilation Contents

# 4 Usage

All codes for which input documentation is not explicitly mentioned below have some documentation in the header of the fortran sources. In the following, subdirectories containing examples are found in `examples/`; ``Example N'' stands for subdirectory `examples/exampleN/`.

All quantities whose dimensions are not explicitly specified are in RYDBERG ATOMIC UNITS. Charge is "number" charge (i.e. not multiplied by e); potentials are in energy units (i.e. they are multiplied by e).

Subsections

- 4.1 Plotting selected quantities
  - 4.1.0.1 Planar averages
  - 4.1.0.2 All-electron charge
  - 4.1.0.3 About Bader's analysis
- 4.2 Band structure, Fermi surface
- 4.3 Projection over atomic states, DOS, projected band structure
- 4.4 Color plot of the Fermi velocity and the orbital character on Fermi surfaces
- 4.5 Wannier functions
- 4.6 Interfaces to/from other code
- 4.7 Other tools