[CP2K-user] [CP2K:21677] The calculations with transition dipole moments
li wang
wangxc1029 at gmail.com
Tue Jul 22 06:08:06 UTC 2025
Dear CP2K community,
I am trying to calculate the excited states of periodic structures and
calculate the Vibrationally-resolved electronic spectra through other
programs. In the cp2k output file, I can only read the Transition Dipole. I
also need information on the Transition Velocity Dipole and Transition
Magnetic Dipole. I would like to inquire if it is possible to obtain these
data in the output of cp2k. Thank you in advance.
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