[ase-users] Radial Distributional Function

[A Singh]

Hello all,

I've been using the get_rdf() function from ase/ga/utilities.py and have
noticed that the formula for calculating radial distribution is not the
same as found in computational chemistry books. The correct formula I
believe is:
*g(r)=n(r)/(Nr 4p r**2**Dr)*
In which *g(r)* is the RDF, *n(r)* is the mean number of atoms in a shell
of width D*r* at distance *r*, r is the mean atom density, *N * is the
total number of atoms.
It would be great if someone could explain what has been implemented in
get_rdf().


Thanks,

Amarjit Singh Gaba
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