bader
Bader Charge Analysis
Bader Charge Analysis
To install this package, run one of the following:
We have developed a fast algorithm for doing Bader's analysis on a charge density grid. The program (see below) can read in charge densities in the VASP CHGCAR format, or the Gaussian CUBE format. The program outputs the total charge associated with each atom, and the zero flux surfaces defining the Bader volumes.
Summary
Bader Charge Analysis
Last Updated
Nov 27, 2024 at 06:19
License
GPL-3.0-or-later
Total Downloads
50.9K
Supported Platforms
GitHub Repository
http://theory.cm.utexas.edu/henkelman/code/bader/Documentation
http://theory.cm.utexas.edu/henkelman/code/bader/