Martyna-Tuckerman acts on the electrostatic (Hartree) potential only. I don't think there is any danger in using it together with vdW-DF functionals, as long as you use it for a non-periodic system
Paolo On Tue, 2014-04-01 at 11:23 -0400, xiaochuan Ge wrote: > Dear all, > > > I have no experience of using assumu_isolate=martyna-tuckerman in the > scf calculation, but I am afraid that MT is not straightforward with a > non-local functional. Being not confident to use it blindly, I would > like to ask if anyone can give some comments, may I use MT with VdW as > in the case of LDA? > > > I appreciate your help very much. > > =================== > Dr. Xiaochuan Ge (Giovanni) > Center for Functional Nanomaterials > Brookhaven national laboratory > =================== > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
