The only thing you need to generate PDFs is the trajectories of your system, no matter which method have you used to get then. But, of course, as better your methos is, as better your PDF will be!
Regards NH On 10/11/07, Eduardo Anglada <[EMAIL PROTECTED]> wrote: > Dear Dai Jun, > > As far as I know there is no tool which computes the pair > distribution function and is freely available. > Regards, > Eduardo > > On 09/10/2007, at 20:24, Dai Jun wrote: > > > Dear SIESTA users; > > Can we get the PDF(pair distribution function) quantity using > > SIESTA or other packages in the ab-initio way? Have anybody ever > > did some work in this area, if you can share some experience or > > give some suggestions,I'll appreciate it very much, thanks in advance. > > > > -- > > > > >
