[ase-users] Van der Waals interaction

[Dawid, A.]

Hi all ASE users

I am using DACAPO for calculating binding energies of atomic oxygen to the different surfaces.
There is proven that DFT LDA and GGA fails to describe Van der Waals interactions. 
And I have also did not found the minima.

Is this posible to calculate it in DACAPO or GPAW and what parameters shoul I set up.
I know that Moller-Plesett perturbation theory (MP2) or Coupled-Clusters method gives better results.

I will be very thankfull for any information.


Aleksander Dawid
-----------------------------------------------
e-mail: A.Dawid at tue.nl
TU/e Technishe Universiteit Eindhoven