Restart file for RT TDDFT


Clicked A Few Times
Hello:

I would like to continue a rt tddft simulation that I have previously started. But somehow, despite adding a load restart to the rt_tddft block, the simulation time begins at zero when it restarts rather than continuing. So I was wondering if someone could point out what I am doing wrong? Here is my restart file:

echo
restart rt_tddf1
task dft rt_tddft

 rt_tddft
load restart
tmax 10.0
dt 0.2

tag "kick_x"

field "kick"
type delta
polarization x
max 0.0001
end

 excite "system" with "kick"
end
task dft rt_tddft

Thank you,

Kristina


Forum >> NWChem's corner >> General Topics