[CP2K-user] [CP2K:16737] CP2k error in PW_DFT section

LUIS OCTAVIO DE ARAUJO luisaraujo at alunos.utfpr.edu.br
Fri Mar 18 18:33:27 UTC 2022


Hi everyone,

I got an error when trying to use cp2k.psmp. The message  "unknown 
subsection PARAMETERS of section PW_DFT " is found when I used:

&FORCE_EVAL
 &PW_DFT
 &PARAMETERS
   CORE_RELATIVITY DIRAC
   SO_CORRECTION .TRUE.
 &END PARAMETERS
 &END PW_DFT
&END FORCE_EVAL

Can I correct this? 

Thanks.

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