Perhaps knowing the physics behind it, the OP assumed that vdW-relevant distinguishing factor between pseudopotentials is the XC functionals they are generated with. In that case the question would be legit and the answer I suppose would go like the following:
Choose a flavor of vdW you want to use, then for input_dft="vdW-DF" use a revPBE pseudo for input_dft="vdW-DF2" use a revised-PW86 (the last commit on this was some 5h ago so i would use w caution.) instead, input_dft="vdw-df-c09" or "vdw-df2-c09" should both be used with pseudos generated with c09x And follow the modifications to Modules/funct.f90 file with care for addition of new vdW flavors :) ciao emine Quoting Axel Kohlmeyer <akohlmey at gmail.com>: > On Wed, Jul 25, 2012 at 5:00 PM, bf azi <bfazi90 at gmail.com> wrote: >> Dear all >> >> I have a question about pseudopotential in quantum espresso. >> Which pseudopotential better for describe "Van der Waals" bonding? > > please think about this for a little bit:
