[CP2K-user] Output File Size Problem
Fabian Ducry
fabia... at gmail.com
Fri Feb 21 15:45:15 UTC 2020
Dear Devyesh,
every print section has an "EACH" subsection where you can specify how
often it should be printed. E.g. for Mulliken:
&MULLIKEN
&EACH
MD 10
&END EACH
&END MULLIKEN
I don't think there is a global way to set this parameter.
Best,
Fabian
On Friday, 21 February 2020 16:34:01 UTC+1, Dev Rana wrote:
>
> Hello,
>
> I'm printing quite a lot of output information - trajectory, velocity,
> force, energy, MO, MO_CUBE, Mulliken, PDOS. This is subsequently making my
> output files massive. Is there a way to split the output file so I can for
> example, get 1 output per 10 MD steps?
>
> Best Regards,
> Devyesh Rana
>
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