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