[CP2K-user] [CP2K:16743] CP2k error in PW_DFT section

[Jürg Hutter]

Hi

which version of CP2K are you using and was it compiled with SIRIUS support?

regards

Juerg Hutter

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of LUIS OCTAVIO DE ARAUJO <luisaraujo at alunos.utfpr.edu.br>
Sent: Friday, March 18, 2022 7:33 PM
To: cp2k
Subject: [CP2K:16737] CP2k error in PW_DFT section

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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