[gpaw-users] Computational cost of vdW-DF

[Duy Le]

Dear all,
As I understand, the approach of Román-Pérez and Soler (PRL 2009) has
been implemented in GPAW.  I wonder why the self-consistent vdW-DF
calculation is still extremely expensive (3 or 4 times in most of my
calculations) in comparison to regular GGA-PBE calculation.
Does any of you experience this slowness? I would like to know the reason.

Thank you.
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"