Dear Yukihiro Okuno, I don't know about the mm_dispersion part, however, as far as I know, reliable force&stress calculations with the vdW-DF are implemented in the CVS version.
emine kucukbenli, phd student, sissa, italy Quoting yukihiro_okuno at fujifilm.co.jp: > > > And in CVS version of PWSCF implementation of vdW functional in vDW_DF > Modules, > > it seems there is a stress calculation function, but still no force > calculation function > > within non-local vdW functional. Are there plan to implement the force > from vdW > > interaction within SCF scheme. > > > Sincerely. > > Yukihiro Okuno. > ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by Horde http://www.horde.org/
