You could find the following paper that compares different van der Waals functionals useful:
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.82.153412 My regards, Isaiah On Fri, Aug 21, 2020 at 11:19 AM Fabrizio Ferrari < [email protected]> wrote: > 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 <[email protected]> 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, <[email protected]> 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 [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Isaiah Abu Moses Physics Department Central Michigan University United States
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