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Bader Tool V2.0 (2021)
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Bader Tool v20 (2021 release)
If you have landed on this page, you are likely a computational chemist, materials scientist, or a PhD student working with charge density analysis from DFT calculations. You are looking for the — a critical software for performing Bader Quantum Theory of Atoms in Molecules (QTAIM) analysis on charge density grids generated by VASP, Gaussian, or ABINIT.
- Chemistry and Materials Science: Essential for understanding molecular bonding, reactions, and the design of new materials.
- Physics: Useful in solid-state physics for studying electronic properties of materials.
- Pharmaceutical Research: Aids in drug design by analyzing interactions between drugs and their targets at a molecular level.