package-specific documentation

Package-specific documentation:

  • PWscf (PW), Plane-Wave Self-Consistent Field: HTML or pdf
  • CP (CPV), Car-Parrinello Molecular Dynamics: HTML or pdf
  • PostProc (PP), post-processing and analysis Tools: HTML or pdf
  • PHonon, phonons with Density-Functional Perturbation Theory: HTML or pdf
  • PWneb (NEB), Nudged Elastic Band: HTML or pdf.
  • QE-modes, Emacs major-modes for editing QE input files: pdf

Additional documentation on specific topics:

  • Hubbard Input: pdf
  • Constraints (how to): pdf
  • Brillouin Zones: pdf
  • Notes on pseudopotential generation : pdf
  • Quick reference guide for metadynamics with PLUMED: pdf

More documentation can be found inside directory Doc/ or doc/ of each package.
Documentation for simple auxiliary codes can be found in the header of the fortran file containing the code.

See also package-specific webpages, when available, for additional information:

  • Electronic excitations beyond DFT: YAMBO
  • Electronic excitations beyond DFT: GWL
  • Quantum Transport with Wannier functions: WanT
  • Maximally Localized Wannier functions: wannier90
  • Metadynamics: PLUMED
  • EPR and NMR chemical shifts: GIPAW

Last updated: March 2023