Dear Eliya, you have to set vdw_corr value in &SYSTEM namelist.
*--* *Best,* *Ashkan Shekaari* *Plasma Physics Research Center* *Science and Research Branch* *I A U, 14778-93855 Tehran, Iran.* On Sun, Oct 9, 2016 at 4:20 PM, Eliya Asmani <[email protected]> wrote: > Dear all > > I want to consider the Van der Waals (vdw) interactions in my > calculations. I'm using LDA (with Perdew-Zunger parametrization) pseudo > potential and also 5.2.1 version of quantum espresso. > > It is OK to use input_dft = 'vdw-df' in input file or another functionals can > be found in this file: > > "Modules/funct.f90" > > Thanks > > Eliya Asmani, > Postdoctoral Researcher > School of Physics, Institute for Research in Fundamental Sciences (IPM) > Tehran, Iran > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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