[CP2K-user] [CP2K:16679] QM/MM - cube- extra ordinary so many output

ışılay öztürk isilayozturk at gmail.com
Tue Mar 8 22:40:10 UTC 2022


Dear Thomas Kühne,

many thanks!!

Best regards

Işılay Öztürk

Thomas Kühne <tkuehne at gmail.com>, 8 Mar 2022 Sal, 23:26 tarihinde şunu
yazdı:

> Dear Işılay,
>
> changing PRINT_LEVEL from HIGH to MEDIUM, or LOW will solve your
> „problem“.
>
> Best,
> Thomas Kühne
>
> Am 08.03.2022 um 11:50 schrieb ışılay öztürk <isilayozturk at gmail.com>:
>
> Dear all,
>
> I am trying to apply QM/MM methods but I have so much output and I
> couldn't get why it has happened. If the some have any idea about that
> could you help me, please??
>
>
> I am sending some screenshots and my input file. If someone explains to me
> what is wrong with my input file, I will be grateful.
>
> Thank you advance
>
>
>
> Best wishes
>
> Işılay
>
>
>
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> .
> <7-1.sh><yeni-PBE.inp><1.PNG>
>
>
>
>
> ==============================
> Thomas D. Kühne
> Dynamics of Condensed Matter
> Chair of Theoretical Chemistry
> University of Paderborn
> Warburger Str. 100
> D-33098 Paderborn
> Germany
> thomas.kuehne at upb.de
> +49/(0)5251/60-5726
>
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-- 
*_______________________*

*PhD. Student Işılay Öztürk*

*EGE UNIVERSITY Graduate School of Natural and Applied ScienceDepartmant of
Chemistry / Physical Chemistry35100 Bornova / IZMIR / TURKEY*

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