vaspparser.dft.bader

Functions

call_bader(foldername[, extra_arguments])	Call the Bader program inside a given folder
get_valence_and_total_charge_density(...)	Read the valence and total all-electron charge densities from AECCAR files.
parse_charge_vol_file(structure[, filename])	Parse charges and volumes from the output file

Classes

Bader(structure, working_directory)

Module to apply the Bader charge partitioning scheme to finished DFT jobs.