[CP2K-user] Problem with CP2K output customization

Marcella Iannuzzi marci... at gmail.com
Wed Jul 22 09:00:50 UTC 2020


Dear Valentin,

you should be able to avoid the printing of the SCF iterations to the 
std_out by setting 

    &SCF

      &PRINT

         &PROGRAM_RUN_INFO OFF

         &END

      &END

    &END SCF

Regards
Marcella


On Tuesday, July 14, 2020 at 8:56:59 AM UTC+2, Valentin Marinov wrote:
>
> Greetings CP2K users.
>
> I've been struggling for 2 days figuring out how to disable the printing 
> of *SCF WAVEFUNCTION OPTIMIZATION* sections in the output file without 
> any success.
> My goal is to remove the intermediate iteration information and leave only 
> the final estimated values (in my case Heat of Formation and MO energies).
> Could any of you point me in the right direction to achieve that?
>
> Have a nice day!
>
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