[Pw_forum] radius distribution function

[Gabriele Sclauzero]

Dear Jay,

JAY wrote:
> Dear users
>  
> Could anybody send me the fortran code for calculating radius 
> distribution function? I would like to analyze the MD results. Many thanks.

If you meant "radial distribution function", I think you can find good recipes on how to 
write it on any molecular dynamics textbook, from the old classics by Frenkel-Smit or 
Allen-Tildesley to the modern ones. If you are really in trouble I can send you a fortran 
code from a course on atomistic simulations I followed at University (at the moment I'm 
not doing molecular dynamics calculations), but I think there are many people doing much 
more sophisticated things on this forum. They could help you better than me.

GS



> 
> -- 
> Sincerely
> 
> Jay
> 
> 
> ==============================================
> cn:       Li, Jiaye
> en:       Jay Y. Lee
> 
> M.S. in designing and developing novel materials
> 
> Research experience:
> *ALD precursor. ie. Metal complexes
> *Surface modification. ie. Indium tin oxide, SiO2
> *Gas storage and adsorption. ie. Ionic Liquids
> 
> Skills:
> *ab-initial method, DFT simulation and Force Field simulation
> 
> Please contact me at:
> 1. jameslipd at gmail.com <mailto:jameslipd at gmail.com>  or
> 2. jameslibd at gmail.com <mailto:jameslibd at gmail.com>
> 
> ==============================================
> 
> 
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> 
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-- 


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| Gabriele Sclauzero, PhD Student                  |
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