[CP2K-user] [CP2K:20004] Re: unknown subsection MGGA_X_SCAN of section XC_FUNCTIONAL

[Frederick Stein]

Dear Young,
Can you post the full input file and how you compiled CP2K (including the 
ARCH file)?
Best regards,
Frederick

Young In Jhon schrieb am Mittwoch, 6. März 2024 um 01:49:41 UTC+1:

> Hello,
>
> I run the work using cp2k 2014 with SCAN with the following section.
>
> &XC_FUNCTIONAL
>         &MGGA_X_SCAN
>         &END MGGA_X_SCAN
>         &MGGA_C_SCAN
>         &END MGGA_C_SCAN
>  &END XC_FUNCTIONAL
>
> However, it showed the error message shown below.
>
> Possible matches for unknown subsection
>
>  MGGA_X_SCAN
>
>    subsection XGGA in section 
> %__ROOT__%FORCE_EVAL%DFT%KG_METHOD%XC%XC_FUNCTIONAL score:  102
>    subsection XGGA in section 
> %__ROOT__%FORCE_EVAL%DFT%ENERGY_CORRECTION%XC%XC_FUNCTIONAL score:  102
>    subsection XGGA in section 
> %__ROOT__%FORCE_EVAL%DFT%TDDFPT%XC%XC_FUNCTIONAL score:  102
>    subsection XGGA in section %__ROOT__%FORCE_EVAL%DFT%XC%XC_FUNCTIONAL 
> score:  102
>    subsection XGGA in section 
> %__ROOT__%FORCE_EVAL%DFT%XAS_TDP%KERNEL%XC_FUNCTIONAL score:  102
>
>
>  *******************************************************************************
>  *   ___                                                                   
>     *
>  *  /   \                                                                 
>      *
>  * [ABORT]                                                                 
>     *
>  *  \___/         unknown subsection MGGA_X_SCAN of section XC_FUNCTIONAL 
>      *
>  *    |                                                                   
>      *
>  *  O/|                                                                   
>      *
>  * /| |                                                                   
>      *
>  * / \                                               
> input/input_parsing.F:185 *
>
>  *******************************************************************************
>
>
>  ===== Routine Calling Stack =====
>
>             6 section_vals_parse
>             5 section_vals_parse
>             4 section_vals_parse
>             3 section_vals_parse
>             2 section_vals_parse
>             1 read_input
>
> I installed cp2k 2024.1 with the latest version of libxc.
> What's wrong with it and how can I solve it?
>
> Thank you for your answers in advance.
>
> Best regards,
>   Young
>
>  
>

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