[Pw_forum] Voronoi polyhedra volume

[Goranka Bilalbegovic]

Nicola Marzari wrote:

>
>
> Hi Kostya,
>
> a few possibilities, although I'm not sure they work with
> periodic boundary conditions:
>
> http://netlib.bell-labs.com/netlib/voronoi/hull.html
>
> http://www.csb.yale.edu/userguides/datamanip/volume/volume_descrip.html
>
> http://www.qhull.org/
>
>
>             nicola
>
>
>
> Konstantin Kudin wrote:
>
>>  Hi all,
>>
>>  Does anybody know where I could find a program to compute Voronoi
>> polyhedra volume for something like water ?
>>
>>  Thanks!
>>  Kostya
>

Hi,

There is also an example (F35.F, A (2D) and B(3D), programs on 
microfiche) in the book M. P. Allen, D. J. Tildesley, Computer 
Simulation of Liquids. This is for a cubic box with periodic boundary 
conditions.

Best regards,
Goranka