Maptool is a postprocessing software for VASP code. This software is based on Pymatgen and some open-source Python library. These are some of the main features inherited by Pymatgen:
- Highly flexible classes for the representation of Element, Site, Molecule, Structure objects.
- Extensive input/output support, including support for VASP (http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/), CIF, Gaussian, XYZ, and many other file formats.
- Powerful analysis tools, including generation of phase diagrams, Pourbaix diagrams, diffusion analyses, reactions, etc.
- Electronic structure analyses, such as density of states and band structure.
More details see doc/maptool.md