[CP2K-user] [CP2K:16678] QM/MM - cube- extra ordinary so many output

Thomas Kühne tkuehne at gmail.com
Tue Mar 8 21:26:28 UTC 2022


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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