RPBE functional
Guanna Li
guanna... at gmail.com
Thu Nov 19 09:29:42 UTC 2015
I use this section to evoke RPBE:
&XC
&XC_FUNCTIONAL
&PBE
PARAMETRIZATION REVPBE
&END PBE
&END XC_FUNCTIONAL
On Sunday, November 15, 2015 at 1:52:23 AM UTC+1, jiabo wrote:
>
> Hi every CP2K user,
>
> I am looking for the RPBE functional in the reference manual, but can not
> find it. Does anyone know how to call RPBE in the cp2k input file?
>
> Best regards,
> Jiabo
>
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