[CP2K-user] [CP2K:13641] "Automatic basis set generation not activated" Error

[Mohammad Shakiba]

Dear Professor Hutter,

Hi and thank you so much, it worked properly and fine.

With Best Regards.

On Monday, July 20, 2020 at 4:09:13 PM UTC+4:30, jgh wrote:
>
> Hi 
>
> Please correct your input: 
>
> BASIS_SET AUX cFIT9  --> BASIS_SET AUX_FIT cFIT9 
>
> regards 
>
> Juerg Hutter 
> -------------------------------------------------------------- 
> Juerg Hutter                         Phone : ++41 44 635 4491 
> Institut für Chemie C                FAX   : ++41 44 635 6838 
> Universität Zürich                   E-mail: h... at chem.uzh.ch 
> <javascript:> 
> Winterthurerstrasse 190 
> CH-8057 Zürich, Switzerland 
> --------------------------------------------------------------- 
>
> -----c... at googlegroups.com <javascript:> wrote: ----- 
> To: "cp2k" <c... at googlegroups.com <javascript:>> 
> From: "Mohammad Shakiba" 
> Sent by: c... at googlegroups.com <javascript:> 
> Date: 07/18/2020 07:41PM 
> Subject: [CP2K:13641] "Automatic basis set generation not activated" Error 
>
> Hello everyone, 
>
> I tried to use ADMM method for hybrid functional but I face this error. I 
> actually modified an input from /tests/regtest-admm-1 but it does not work 
> for my structure which contains Cu, In, and Se. I really do not know why 
> this happens. Can someone please help me to fix this issue? Thank you so 
> much. I have attached my input below. 
>
>
>
>  *** WARNING in qs_environment.F:665 :: Automatic Generation of AUX_FIT 
> *** *** basis. This is experimental code.                                 
>  *** 
>
>
>  ******************************************************************************* 
>
>  *   _____                                                                 
>                        * 
>  *  /          \                                                           
>                             * 
>  * [ABORT]                                                                 
>                      * 
>  *  \_____/              Automatic basis set generation not activated   * 
>  *    |                                                                   
>                               * 
>  *  O/|                                                                   
>                             * 
>  * /| |                                                                   
>                               * 
>  * / \                                                       
>  auto_basis.F:374              * 
>  ******************************************************************************* 
>
>
>
>
>
>   
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>   
>
> [attachment "test.inp" removed by Jürg Hutter/at/UZH] 
>
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