[CP2K:2003] timestep for REAL_TIME_PROPAGATION

[Juerg Hutter]

> Dear CP2k users,
>  I am learning to run an electron dynamics calculation with fixed nuclei
> position. In the input file, I guess the Section
> &CP2K_INPUT/&FORCE_EVAL/&DFT/&REAL_TIME_PROPAGATION is the place. Is there
> any way to specify a time step for the wave function propagation, or the
> time step is automatically determined by the variable %EXP_ACCURACY%?
>
Hi

The timestep is set in MOTION%MD%TIMESTEP

See also the inputs in the regression testing directory
cp2k/tests/QS/regtest-rtp

regards

Juerg Hutter

PS: This is a very new feature, carefully test your runs and we would be 
happy to get feedback.

>  Thanks.
>
> Hanning Chen
>
> Department of Chemistry
> Northwestern University
> Evanston, IL 60208
>
> >
>