[Pw_forum] rVV10 vdW functionals

Azadi, Sam s.azadi at imperial.ac.uk
Tue Oct 17 15:11:50 CEST 2017

Dear QE community,

According to page two last paragraph of second column of:

 R. Sabatini, T. Gorni, and S. de Gironcoli, Phys. Rev. B 87, 041108(R) (2013).

the full vdW-rVV10 XC functional is defined as:

whereas according to line 128 Modules/funct.f90 of QE6.1 :  "rvv10" = "sla+pw+rw86+pbc+vv10"     = rVV10

is there any gradient correction on correlation (pbc) in vdW-rVV10?

Sam Azadi
Imperial College London

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