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==============
Bader Analysis
==============
An example of Bader analysis: `The water molecule`_.
.. _The water molecule: https://gpaw.readthedocs.io/tutorialsexercises/
wavefunctions/charge/charge.html#bader
You can attach the output charges from the bader program to the atoms
for further processing::
from ase.io.bader import attach_charges
# the next two lines are equivalent (only one needed)
attach_charges(atoms)
attach_charges(atoms, 'ACF.dat')
for atom in atoms:
print('Atom', atom.symbol, 'Bader charge', atom.charge)
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