Introduction
vasprun-xml is my part time project for fun. It is mainly used for quick analysis of vasp calculation solely from vasprun.xml. It has the following features:
- band gap calculation
- dos plot (total dos / orbital partial dos / atomic partial dos)
- band structure plot (with color map enhancement)
- incar/potcar/poscar generation
- force analysys
- KS orbital eigenvalue analysys
- dynamical matrix (to add)
- elastic constants (to add)
- dielectric constants (to add)
A full documentation has been moved to here