[lammps-users] How does relation between partial and total rdf looks like?

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1

Dear All,

I have question about radial distribution function in more than one type of atom system. For example in SiO2 system, LAMMPS will produce four partial rdf namely : g®Si-O, g®O-Si,g®O-O and g®Si-Si.

I found in several papers (both related to experimental and MD calculation) show only one value of rdf g® of SiO2 (some papers refer call it as total radial distribution function of SiO2).

How does the relation between total radial distribution function and partial radial distributions looks like? can we simply sum up all partial rdf to obtain total rdf?
if not how to obtain total rdf from partial rdf?

best regards,

2

I don't know. You'd have to look at the formulas
for the 2 cases and see if one sums to the other.

Steve