[CP2K-user] [CP2K:12903] Output file size issue
patri... at gmail.com
Fri Feb 21 16:43:07 UTC 2020
For each quantity to be printed you can specify after how many steps of X
method it should be printed.
For example, if you want to print the MO_CUBE each 10 steps of MD:
* MD 10*
* &END EACH*
You can read more about the EACH subsection here:
Moreover, you may want to reduce the PRINT_LEVEL in the GLOBAL section to,
say, LOW, in order to reduce the general amount of data printed out.
Remember to manually switch on the printing of all the required
On Fri, 21 Feb 2020 at 16:31, Dev Rana <dev.... at gmail.com> wrote:
> 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
> You received this message because you are subscribed to the Google Groups
> "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an
> email to cp... at googlegroups.com.
> To view this discussion on the web visit
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the CP2K-user