[CP2K-user] [CP2K:15254] .ener print

[Fabian Ducry]

Hi,

You are looking for the MOTION%MD%PRINT%ENERGY%EACH section 
(https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/MOTION/MD/PRINT/ENERGY/EACH.html). 
By default the information is printed every step so I assume your 
timestep is 2 fs. For printing at every 10th step set MD 10.

Cheers,

Fabian

On 28.04.2021 07:54, ASSIDUO Network wrote:
> Hi there, I hope you all are well.
>
> Could you please help me set up a printing of the energy/temperature 
> to the .ener file during an AIMD run? Currently it prints it every 2 
> fs, but I want it to happen only every 20 fs. I'm struggling to find 
> the keywords for it. --
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