PARAMETRIZATION PBESOL not recognized

[polla... at gmail.com]

It sounds like you are missing the PBE subsection within XC_FUNCTIONAL.


&XC_FUNCTIONAL  NO_SHORTCUT
  &PBE  T

   PARAMETRIZATION  PBESOL

   SCALE_X     1.0000000000000000E+00

   SCALE_C     1.0000000000000000E+00

 &END PBE

&END XC_FUNCTIONAL






On Friday, May 18, 2018 at 6:44:19 PM UTC-4, Alex wrote:
>
> Hi all,
>
> We have an otherwise working setup, but adding "PARAMETRIZATION PBESOL" in 
> the XC_FUNCTIONAL section results in
>
>  " Possible matches for unknown keyword
>
>  PARAMETRIZATION
>
>    keyword PARAMETRIZATION in section 
> %__ROOT__%FORCE_EVAL%DFT%KG_METHOD%ENERGY_CORRECTION%XC%XC_FUNCTIONAL%PW92 
> score:  242"
>
> This is with the latest stable CP2K release, same behavior with an earlier 
> Ubuntu repo version (I think 2.4.*). Are we missing some sort of a 
> parametrization file?
>
> Thank you,
>
> Alex
>
>
>
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