Re: [SIESTA-L] pair correlation function and self diffusion

[Eduardo Anglada]

Dear Karim,
It is possible, but you have to construct the program yourself.
Best,
Eduardo

On 11/10/2008, at 14:44, karim rezouali wrote:


Dear SIESTA users,

Is it possible to calculate the following parameters using the  
SIESTA code?


1. Pair correlation function

2. the self diffusion coefficients

thanks before,


Karim

[SIESTA-L] pair correlation function and self diffusion

[karim rezouali]

Dear SIESTA users,

Is it possible to calculate the following parameters using the SIESTA code?

 1. Pair correlation function

 2. the self diffusion coefficients 

thanks before,


Karim