I tried using RT_TDDFT in place of TDDFT. I had to get the charge density of the system when an external oscillating field (1mV/nm 16GHz) is applied. But the cube file I am getting shows no changes even if I apply no field. Can you figure this out? How to get the excited state induced charge density?
START water
TITLE "tddft test"
GEOMETRY "system" units angstroms nocenter noautoz noautosym
O 0.00000000 0.00000000 0.12982363
H 0.75933475 0.00000000 -0.46621158
H -0.75933475 0.00000000 -0.46621158
END
set geometry "system"
BASIS
* library 6-31G*
END
DFT
XC B3LYP
END
task dft property
unset rt_tddft:*
rt_tddft
tmax 200.0
dt 0.2
field "resonant"
type cw
polarization z
frequency 0.00000039
max 0.000019
spin total
end
excite "system" with "resonant"
end
task dft rt_tddft
dplot
TITLE water
vectors water.movecs
LimitXYZ
-3.0 3.0 10
-3.0 3.0 10
-3.0 3.0 10
spin total
gaussian
output chargedensity.cube
end
task dplot
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