Ian, Did you successfully compile SIESTA trunk 433 with van der Waals support?
If yes, could you share your experience? I compiled ok, but the vdW functionals are not working. []'s, @mps On Fri, Jul 26, 2013 at 9:16 AM, Ian Shuttleworth < [email protected]> wrote: > Siesterers > > I am using siesta-trunk-421 / 433. > > Is there any way to "turn on" van der Waals interactions for just a > specific part of the system you're looking at? > > For example, organics adsorbed on a surface : I want to investigate vdW > between the adsorbates but I dont want to use vdW for the substrate. > > The only command I can find it XC.hybrid which seems to apply to all > species. > > Thanks > > Ian Shuttleworth >
