[CPMD-list] Pair correlation function calculation

[Younes Ansari]

Dear CPMD-list:
  I have written a pair correlation function program using CPMD trajec.xyz by MATLAB6P:
1- I told it to input the No. of (1-iterations 2-timestep 3-volume 4-the distance you want to calculate from 0 to the distance  5-the Delta:   so
if r =1 the program calculates r+delta to r-deta and if there is a R between this distance it will add LL=LL+1 else LL remains 0. )
2- I have calculated the distances for each iteration=R11 to Rij 
3- calculations of RHO: (V/Z)*6.02E-7
4- my g(r)=(4/3)*3.141595*RHO*((1-delta)^3))*(LL)/(average)
 
So I want to Know if You can send me a simple program of calculating g(r) using trajec.xyz.
I can tell the program to read data from which columns and line of the file trajec.xyz.
just I want a SCHEMATIC type of the g(r) calcultion. I have seen the books on the CPMD refrences [1,4] but there is not enough details to get it . 
I want to know how to normalize my data.


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