PARAMETRIZATION PBESOL not recognized

Alex nedo... at gmail.com
Fri May 18 22:44:19 UTC 2018


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


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180518/68545c5f/attachment.htm>


More information about the CP2K-user mailing list