Dear Yuvam, I am not an expert of vdw interactions. If you don't know it already, there are some examples of vdw calculations with QE in folder 'test-suite/pw_vdw'. Not sure if you'll find what you are looking for, but perhaps you could start by having a look there. Best regards, Fabrizio
On Fri, Aug 21, 2020 at 3:43 PM Yuvam Bhateja <yuvam...@gmail.com> wrote: > Hello experts, > > Can anyone give some valuable information on this? > > Thank you. > > Regards > Yuvam Bhateja > IIEST Shibpur > > On Mon, 17 Aug 2020, 2:04 pm Yuvam Bhateja, <yuvam...@gmail.com> wrote: > >> Dear experts, >> >> Hope you are doing well. >> >> I want to enable van der Waal interaction with my heterogeneous system >> having Cr2O3 and graphene stacked. >> The interaction between the layers is week van der Waal interaction but >> it wasn't mentioned what type of van der Waal in previous publications. >> My question is which XC correlation and type of pseudopotential will be >> best or at least better for which type of van der Waal forces? >> >> Thank you in advance. >> >> Regards >> Yuvam Bhateja >> B.Tech. >> E&Tc >> IIEST Shibpur >> India >> > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users