[Pw_forum] rVV10 vdW functionals

[Jess Wellendorff]

sla: Slater LDA exchange
pw: PerdewWang LDA correlation
rpw86: rPW86 exchange
pbc: PBE correlation
vv10: VV10 nonlocal correlation

so GGA correlation is included by "pbc".

Cheers,
Jess Wellendorff

On 10/17/2017 03:11 PM, Azadi, Sam wrote:
> 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?
>
> Thanks,
> Sam Azadi
> -----
> Imperial College London
>
>
>
>
>
>
>
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-- 
Jess Wellendorff
Senior Applications Engineer
Synopsys QuantumWise
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Tel: +45 69901888
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