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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