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
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